A0A087Y7R1_POEFO Loading...

Phosphoinositide phospholipase C

The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes. In vitro, hydrolyzes PtdIns(4,5)P2 in a Ca(2+)-dependent manner. Triggers intracellular Ca(2+) oscillations in oocytes solely during M phase and is involved in inducing oocyte activation and initiating embryonic development up to the blastocyst stage. Is therefore a strong candidate for the egg-activating soluble sperm factor that is transferred from the sperm into the egg cytoplasm following gamete membrane fusion. May exert an inhibitory effect on phospholipase-C-coupled processes that depend on calcium ions and protein kinase C, including CFTR trafficking and function.

AlphaFold DB , UniProt , Accession A0A087Y7R1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 572 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	L	45.5	Very low	43.4	Very low	179 Å²	179	117.2 Å²	117.2	94%	0.937	58%	0.578	S	S	*	*				0	-46.1	0	-128.6	89	0	0	0	110.9	Y4 L5	L1-Y4 WeakPolarHBondContact O-CB 2.81Å; L1-Y4 PolarHBondContact O-N 3.36Å; L1-Y4 VanDerWaalsContact O-N 3.17Å; L1-L5 HydrophobicContact CD2-CD1 4.41Å; L1-L5 WeakPolarHBondContact O-CB 3.49Å; L1-L5 PolarHBondContact O-N 3.37Å
2	E	36	Very low	44.6	Very low	166 Å²	166	118.6 Å²	118.6	78%	0.776	58%	0.579	S	S	*	*	H	α-helix	trans	-60.7	-43.6	177.2	-72.9	178.2	153.8	0	0	113.9	Y4 L5 F6	E2-Y4 VanDerWaalsContact C-N 3.26Å; E2-Y4 PolarHBondContact O-N 3.28Å; E2-L5 CarbonylContact O-C 3.58Å; E2-L5 PolarHBondContact O-N 2.8Å; E2-F6 WeakPolarHBondContact O-CB 3.5Å; E2-F6 PolarHBondContact O-N 3.24Å
3	D	38.8	Very low	45.9	Very low	132 Å²	132	114.8 Å²	114.8	71%	0.706	55%	0.554	S	S	*	*	H	α-helix	trans	-65.4	-29.9	174.1	-72.6	-32.9	0	0	0	113	V7	D3-V7 WeakPolarHBondContact O-CB 3.29Å; D3-V7 WeakPolarHBondContact O-CG2 3.36Å; D3-V7 PolarHBondContact O-N 2.92Å
4	Y	39.4	Very low	48.4	Very low	169 Å²	169	108 Å²	108	66%	0.663	52%	0.52	S	S	*	.	H	α-helix	trans	-75.9	-41.1	177.1	-164.3	-99.7	0	0	0	111.1	L1 E2 F6 L8	L1-Y4 WeakPolarHBondContact O-CB 2.81Å; L1-Y4 PolarHBondContact O-N 3.36Å; L1-Y4 VanDerWaalsContact O-N 3.17Å; E2-Y4 VanDerWaalsContact C-N 3.26Å; E2-Y4 PolarHBondContact O-N 3.28Å; Y4-F6 VanDerWaalsContact C-N 3.34Å; Y4-L8 HydrophobicContact CD1-CD1 3.58Å; Y4-L8 HydrophobicContact CD1-CG 4.25Å; Y4-L8 HydrophobicContact CE1-CD1 3.54Å; Y4-L8 HydrophobicContact CE1-CG 4.22Å; Y4-L8 VanDerWaalsContact O-CB 3.24Å; Y4-L8 WeakPolarHBondContact O-CB 3.42Å; Y4-L8 WeakPolarHBondContact O-CG 3.43Å; Y4-L8 PolarHBondContact O-N 3.05Å
5	L	43.6	Very low	51	Low	90 Å²	90	104.6 Å²	104.6	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-34.1	169.7	-90.7	152.7	0	0	0	111.9	L1 E2 N9	L1-L5 HydrophobicContact CD2-CD1 4.41Å; L1-L5 WeakPolarHBondContact O-CB 3.49Å; L1-L5 PolarHBondContact O-N 3.37Å; E2-L5 CarbonylContact O-C 3.58Å; E2-L5 PolarHBondContact O-N 2.8Å; L5-N9 WeakPolarHBondContact O-CA 3.39Å; L5-N9 WeakPolarHBondContact O-CB 3.37Å; L5-N9 PolarHBondContact O-N 2.89Å; L5-N9 PolarHBondContact O-ND2 2.98Å
6	F	41	Very low	53.5	Low	123 Å²	123	99.4 Å²	99.4	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-70.2	-43.9	175.5	-179.1	-100.3	0	0	0	111.3	E2 Y4 N9 K10	E2-F6 WeakPolarHBondContact O-CB 3.5Å; E2-F6 PolarHBondContact O-N 3.24Å; Y4-F6 VanDerWaalsContact C-N 3.34Å; F6-N9 CarbonylContact O-C 3.52Å; F6-N9 PolarHBondContact O-N 2.92Å; F6-K10 HydrophobicContact CE1-CD 4.33Å; F6-K10 WeakPolarHBondContact O-CB 3.4Å; F6-K10 PolarHBondContact O-N 2.97Å
7	V	44.3	Very low	55.8	Low	83 Å²	83	93.5 Å²	93.5	50%	0.503	46%	0.455	S	S	.	.	H	α-helix	trans	-67.5	-42.7	173.6	170.8	0	0	0	0	111.1	D3 N9 K10 V11	D3-V7 WeakPolarHBondContact O-CB 3.29Å; D3-V7 WeakPolarHBondContact O-CG2 3.36Å; D3-V7 PolarHBondContact O-N 2.92Å; V7-N9 VanDerWaalsContact C-N 3.33Å; V7-N9 PolarHBondContact O-N 2.87Å; V7-K10 PolarHBondContact O-N 3.26Å; V7-K10 VanDerWaalsContact O-N 3.15Å; V7-V11 HydrophobicContact CG1-CG2 4.07Å; V7-V11 VanDerWaalsContact O-CB 3.26Å; V7-V11 WeakPolarHBondContact O-CB 3.48Å; V7-V11 WeakPolarHBondContact O-CG2 3.4Å; V7-V11 PolarHBondContact O-N 2.88Å
8	L	47.3	Very low	57.8	Low	62 Å²	62	90.8 Å²	90.8	33%	0.325	44%	0.442	S	S	.	.	H	α-helix	trans	-60.8	-42.7	170.8	-75.1	171.3	0	0	0	111	Y4 K10 V11 F12	Y4-L8 HydrophobicContact CD1-CD1 3.58Å; Y4-L8 HydrophobicContact CD1-CG 4.25Å; Y4-L8 HydrophobicContact CE1-CD1 3.54Å; Y4-L8 HydrophobicContact CE1-CG 4.22Å; Y4-L8 VanDerWaalsContact O-CB 3.24Å; Y4-L8 WeakPolarHBondContact O-CB 3.42Å; Y4-L8 WeakPolarHBondContact O-CG 3.43Å; Y4-L8 PolarHBondContact O-N 3.05Å; L8-K10 VanDerWaalsContact C-N 3.28Å; L8-K10 PolarHBondContact O-N 3.1Å; L8-V11 PolarHBondContact O-N 3.39Å; L8-F12 HydrophobicContact CB-CD2 4.33Å; L8-F12 HydrophobicContact CD2-CD2 3.68Å; L8-F12 HydrophobicContact CD2-CE2 3.4Å; L8-F12 WeakPolarHBondContact O-CA 3.41Å; L8-F12 WeakPolarHBondContact O-CB 3.22Å; L8-F12 WeakPolarHBondContact O-CD2 3.3Å; L8-F12 PolarHBondContact O-N 3.43Å
9	N	47.7	Very low	59.6	Low	61 Å²	61	89.2 Å²	89.2	33%	0.326	44%	0.441	S	S	.	.	H	α-helix	trans	-63.8	-32.6	174.8	-81.3	-32.5	0	0	0	111.8	L5 F6 V7 R13	L5-N9 WeakPolarHBondContact O-CA 3.39Å; L5-N9 WeakPolarHBondContact O-CB 3.37Å; L5-N9 PolarHBondContact O-N 2.89Å; L5-N9 PolarHBondContact O-ND2 2.98Å; F6-N9 CarbonylContact O-C 3.52Å; F6-N9 PolarHBondContact O-N 2.92Å; V7-N9 VanDerWaalsContact C-N 3.33Å; V7-N9 PolarHBondContact O-N 2.87Å; N9-R13 HydrophobicContact CB-CG 4.25Å; N9-R13 WeakPolarHBondContact O-CA 3.32Å; N9-R13 WeakPolarHBondContact O-CB 3.49Å; N9-R13 WeakPolarHBondContact O-CG 3.35Å; N9-R13 PolarHBondContact O-N 2.75Å; N9-R13 PolarHBondContact OD1-NE 3.27Å; N9-R13 PolarHBondContact OD1-NH2 3.1Å
10	K	44.4	Very low	61.3	Low	142 Å²	142	85 Å²	85	62%	0.617	42%	0.42	S	S	*	.	H	α-helix	trans	-81.6	-29.4	177.6	-133.1	179.8	-176.9	-179.1	0	113.6	F6 V7 L8	F6-K10 HydrophobicContact CE1-CD 4.33Å; F6-K10 WeakPolarHBondContact O-CB 3.4Å; F6-K10 PolarHBondContact O-N 2.97Å; V7-K10 PolarHBondContact O-N 3.26Å; V7-K10 VanDerWaalsContact O-N 3.15Å; L8-K10 VanDerWaalsContact C-N 3.28Å; L8-K10 PolarHBondContact O-N 3.1Å
11	V	49.8	Very low	62.9	Low	82 Å²	82	81.4 Å²	81.4	50%	0.497	40%	0.402	S	S	.	.	H	α-helix	trans	-85.7	-29.9	179.7	172.8	0	0	0	0	111.3	V7 L8	V7-V11 HydrophobicContact CG1-CG2 4.07Å; V7-V11 VanDerWaalsContact O-CB 3.26Å; V7-V11 WeakPolarHBondContact O-CB 3.48Å; V7-V11 WeakPolarHBondContact O-CG2 3.4Å; V7-V11 PolarHBondContact O-N 2.88Å; L8-V11 PolarHBondContact O-N 3.39Å
12	F	56.9	Low	65.2	Low	134 Å²	134	78.1 Å²	78.1	59%	0.588	38%	0.382	S	S	*	.	H	α-helix	trans	-111.8	-22.7	-176.8	-68.2	-85.2	0	0	0	115	L8 R14	L8-F12 HydrophobicContact CB-CD2 4.33Å; L8-F12 HydrophobicContact CD2-CD2 3.68Å; L8-F12 HydrophobicContact CD2-CE2 3.4Å; L8-F12 WeakPolarHBondContact O-CA 3.41Å; L8-F12 WeakPolarHBondContact O-CB 3.22Å; L8-F12 WeakPolarHBondContact O-CD2 3.3Å; L8-F12 PolarHBondContact O-N 3.43Å; F12-R14 PolarHBondContact O-N 2.84Å
13	R	61.4	Low	67.9	Low	69 Å²	69	76.5 Å²	76.5	26%	0.26	37%	0.369	S	S	.	.	S	Bend	trans	-78.7	123.4	172.6	-60.7	179.2	177.3	-136.3	-7.2	108.8	N9 V15 F75 E76	N9-R13 HydrophobicContact CB-CG 4.25Å; N9-R13 WeakPolarHBondContact O-CA 3.32Å; N9-R13 WeakPolarHBondContact O-CB 3.49Å; N9-R13 WeakPolarHBondContact O-CG 3.35Å; N9-R13 PolarHBondContact O-N 2.75Å; N9-R13 PolarHBondContact OD1-NE 3.27Å; N9-R13 PolarHBondContact OD1-NH2 3.1Å; R13-V15 VanDerWaalsContact C-N 3.26Å; R13-V15 PolarHBondContact O-N 3.13Å; R13-F75 HydrophobicContact CB-CE1 4.39Å; R13-F75 HydrophobicContact CG-CE1 4.2Å; R13-E76 IonicContact CZ-OE1 2.78Å; R13-E76 IonicContact NH1-OE1 3.14Å; R13-E76 PolarHBondContact NH1-OE1 3.36Å; R13-E76 IonicContact NH2-OE1 3.77Å; R13-E76 PolarHBondContact NH2-OE1 3.29Å
14	R	82.2	Confident	70.6	Confident	20 Å²	20	71.9 Å²	71.9	8%	0.075	34%	0.342	C	S	.	.			trans	-50.8	86.1	168.7	-61.3	-75.9	-65.8	-76.9	-9	109.8	F12 E16 I17 L18 L79 E83 F567	F12-R14 PolarHBondContact O-N 2.84Å; R14-E16 IonicContact CZ-OE1 2.77Å; R14-E16 IonicContact NE-OE1 2.65Å; R14-E16 PolarHBondContact NE-OE1 3.19Å; R14-E16 IonicContact NH2-OE1 3.79Å; R14-E16 PolarHBondContact O-N 2.76Å; R14-E16 VanDerWaalsContact O-N 3.12Å; R14-I17 HydrophobicContact CB-CB 3.99Å; R14-I17 HydrophobicContact CB-CD1 3.69Å; R14-I17 HydrophobicContact CB-CG1 3.83Å; R14-I17 HydrophobicContact CG-CD1 4.05Å; R14-I17 WeakPolarHBondContact O-CA 3.48Å; R14-I17 WeakPolarHBondContact O-CB 3.45Å; R14-I17 PolarHBondContact O-N 3.3Å; R14-L18 PolarHBondContact O-N 3.21Å; R14-L79 HydrophobicContact CB-CD1 4.33Å; R14-L79 HydrophobicContact CG-CD1 4.26Å; R14-E83 IonicContact NH1-OE1 2.98Å; R14-E83 PolarHBondContact NH1-OE1 3.16Å; R14-F567 VanDerWaalsContact NH2-CD2 3.28Å
15	V	86.7	Confident	73.1	Confident	57 Å²	57	64.2 Å²	64.2	35%	0.345	31%	0.313	S	S	.	.	H	α-helix	trans	-56.5	-31.8	-172.7	-89.5	0	0	0	0	112.2	R13 L18 S19	R13-V15 VanDerWaalsContact C-N 3.26Å; R13-V15 PolarHBondContact O-N 3.13Å; V15-L18 PolarHBondContact O-N 2.98Å; V15-S19 WeakPolarHBondContact O-CB 3.46Å; V15-S19 PolarHBondContact O-N 3.34Å; V15-S19 PolarHBondContact O-OG 3.06Å
16	E	90.3	Very high	75.1	Confident	21 Å²	21	68.7 Å²	68.7	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-35.8	172.7	68.4	-80	-165.9	0	0	113.2	R14 L20 I456 S457 F567	R14-E16 IonicContact CZ-OE1 2.77Å; R14-E16 IonicContact NE-OE1 2.65Å; R14-E16 PolarHBondContact NE-OE1 3.19Å; R14-E16 IonicContact NH2-OE1 3.79Å; R14-E16 PolarHBondContact O-N 2.76Å; R14-E16 VanDerWaalsContact O-N 3.12Å; E16-L20 VanDerWaalsContact O-CG 3.32Å; E16-L20 WeakPolarHBondContact O-CG 3.46Å; E16-L20 PolarHBondContact O-N 3.2Å; E16-L20 VanDerWaalsContact O-N 3.16Å; E16-I456 HydrophobicContact CB-CG2 4.09Å; E16-I456 HydrophobicContact CG-CG2 4.05Å; E16-S457 PolarHBondContact OE1-OG 3.13Å; E16-F567 HydrophobicContact CG-CD1 3.57Å; E16-F567 HydrophobicContact CG-CE1 3.67Å
17	I	93.3	Very high	76.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-75.6	-38.4	174.7	-59.7	179.5	0	0	0	110.4	R14 S19 L20 F21 F75 F78 L79 M82 F567	R14-I17 HydrophobicContact CB-CB 3.99Å; R14-I17 HydrophobicContact CB-CD1 3.69Å; R14-I17 HydrophobicContact CB-CG1 3.83Å; R14-I17 HydrophobicContact CG-CD1 4.05Å; R14-I17 WeakPolarHBondContact O-CA 3.48Å; R14-I17 WeakPolarHBondContact O-CB 3.45Å; R14-I17 PolarHBondContact O-N 3.3Å; I17-S19 VanDerWaalsContact C-N 3.33Å; I17-S19 PolarHBondContact O-N 3.43Å; I17-L20 WeakPolarHBondContact O-CB 3.49Å; I17-L20 PolarHBondContact O-N 3.49Å; I17-L20 VanDerWaalsContact O-N 3.14Å; I17-F21 PolarHBondContact O-N 2.91Å; I17-F75 HydrophobicContact CG2-CE2 4.13Å; I17-F78 HydrophobicContact CG2-CD1 3.81Å; I17-F78 HydrophobicContact CG2-CE1 3.72Å; I17-L79 HydrophobicContact CB-CD1 4.41Å; I17-L79 HydrophobicContact CD1-CD1 3.7Å; I17-L79 HydrophobicContact CG2-CD1 4.1Å; I17-M82 HydrophobicContact CD1-CB 3.98Å; I17-M82 HydrophobicContact CG2-CB 4.15Å; I17-M82 HydrophobicContact CG2-CG 4.01Å; I17-F567 HydrophobicContact CD1-CE2 4.46Å; I17-F567 HydrophobicContact CD1-CZ 4.43Å; I17-F567 HydrophobicContact CG1-CE1 4.18Å; I17-F567 HydrophobicContact CG1-CE2 4.46Å; I17-F567 HydrophobicContact CG1-CZ 3.95Å
18	L	91.9	Very high	79	Confident	44 Å²	44	67.1 Å²	67.1	23%	0.23	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-42.6	174.6	-178.4	62.1	0	0	0	111.7	R14 V15 L20 F21 Q22 F75	R14-L18 PolarHBondContact O-N 3.21Å; V15-L18 PolarHBondContact O-N 2.98Å; L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 PolarHBondContact O-N 3.09Å; L18-F21 PolarHBondContact O-N 3.03Å; L18-Q22 HydrophobicContact CD1-CG 4.27Å; L18-Q22 HydrophobicContact CG-CG 4.46Å; L18-Q22 WeakPolarHBondContact O-CB 3.48Å; L18-Q22 VanDerWaalsContact O-CG 3.3Å; L18-Q22 WeakPolarHBondContact O-CG 3.47Å; L18-Q22 PolarHBondContact O-N 2.87Å; L18-F75 HydrophobicContact CB-CD2 4.44Å; L18-F75 HydrophobicContact CB-CE2 3.72Å; L18-F75 HydrophobicContact CB-CZ 3.94Å; L18-F75 HydrophobicContact CD1-CD1 4.4Å; L18-F75 HydrophobicContact CD1-CD2 3.56Å; L18-F75 HydrophobicContact CD1-CE1 4.47Å; L18-F75 HydrophobicContact CD1-CE2 3.71Å; L18-F75 HydrophobicContact CD1-CG 3.93Å; L18-F75 HydrophobicContact CD1-CZ 4.14Å; L18-F75 HydrophobicContact CG-CE2 4.33Å
19	S	91.6	Very high	81	Confident	61 Å²	61	69.3 Å²	69.3	43%	0.427	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-36.2	173.8	-63.8	0	0	0	0	111.9	V15 I17 R23	V15-S19 WeakPolarHBondContact O-CB 3.46Å; V15-S19 PolarHBondContact O-N 3.34Å; V15-S19 PolarHBondContact O-OG 3.06Å; I17-S19 VanDerWaalsContact C-N 3.33Å; I17-S19 PolarHBondContact O-N 3.43Å; S19-R23 WeakPolarHBondContact O-CG 3.34Å; S19-R23 PolarHBondContact O-N 3.34Å
20	L	93.5	Very high	83.3	Confident	4 Å²	4	68 Å²	68	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-62.1	-50.8	173.2	-76	164.8	0	0	0	111.5	E16 I17 L18 Q22 R23 Y24 F39 F78 M82 Y548 F567	E16-L20 VanDerWaalsContact O-CG 3.32Å; E16-L20 WeakPolarHBondContact O-CG 3.46Å; E16-L20 PolarHBondContact O-N 3.2Å; E16-L20 VanDerWaalsContact O-N 3.16Å; I17-L20 WeakPolarHBondContact O-CB 3.49Å; I17-L20 PolarHBondContact O-N 3.49Å; I17-L20 VanDerWaalsContact O-N 3.14Å; L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 PolarHBondContact O-N 3.09Å; L20-Q22 PolarHBondContact O-N 3.1Å; L20-R23 PolarHBondContact O-N 3.46Å; L20-Y24 WeakPolarHBondContact O-CD2 3.45Å; L20-F39 HydrophobicContact CD2-CE2 4.21Å; L20-F78 HydrophobicContact CB-CE1 4.13Å; L20-F78 HydrophobicContact CB-CZ 4.37Å; L20-M82 HydrophobicContact CD1-CE 4.41Å; L20-Y548 HydrophobicContact CD1-CD1 3.81Å; L20-Y548 HydrophobicContact CD1-CD2 4.11Å; L20-Y548 HydrophobicContact CD1-CE1 3.98Å; L20-Y548 HydrophobicContact CD1-CE2 4.28Å; L20-Y548 HydrophobicContact CD1-CG 3.87Å; L20-Y548 HydrophobicContact CD2-CD1 4.49Å; L20-Y548 HydrophobicContact CD2-CD2 3.85Å; L20-Y548 HydrophobicContact CD2-CE1 4.06Å; L20-Y548 HydrophobicContact CD2-CE2 3.35Å; L20-Y548 HydrophobicContact CD2-CG 4.39Å; L20-Y548 VanDerWaalsContact CD2-CZ 3.46Å; L20-Y548 HydrophobicContact CG-CE2 4.46Å; L20-F567 HydrophobicContact CD1-CE1 4.19Å; L20-F567 HydrophobicContact CD1-CZ 3.99Å
21	F	95.2	Very high	85.8	Confident	10 Å²	10	61.3 Å²	61.3	4%	0.044	33%	0.326	C	S	.	.	H	α-helix	trans	-56.1	-52.2	178.6	179.5	-98.7	0	0	0	111.5	I17 L18 R23 Y24 T25 L31 F75 F78	I17-F21 PolarHBondContact O-N 2.91Å; L18-F21 PolarHBondContact O-N 3.03Å; F21-R23 PolarHBondContact O-N 2.85Å; F21-R23 VanDerWaalsContact O-N 3.16Å; F21-Y24 PolarHBondContact O-N 2.74Å; F21-T25 HydrophobicContact CD1-CG2 3.83Å; F21-T25 HydrophobicContact CD2-CG2 4.19Å; F21-T25 HydrophobicContact CE1-CG2 3.48Å; F21-T25 VanDerWaalsContact CE1-CG2 3.48Å; F21-T25 HydrophobicContact CE2-CG2 3.88Å; F21-T25 HydrophobicContact CG-CG2 4.18Å; F21-T25 HydrophobicContact CZ-CG2 3.52Å; F21-T25 WeakPolarHBondContact O-CG2 3.29Å; F21-T25 PolarHBondContact O-N 3.06Å; F21-L31 HydrophobicContact CD2-CB 4.2Å; F21-L31 HydrophobicContact CD2-CD2 4.41Å; F21-L31 HydrophobicContact CE2-CB 3.57Å; F21-L31 HydrophobicContact CZ-CB 4.24Å; F21-F75 HydrophobicContact CB-CD2 3.87Å; F21-F75 HydrophobicContact CB-CE2 4.43Å; F21-F75 HydrophobicContact CD1-CB 4.07Å; F21-F75 HydrophobicContact CD1-CD2 4.1Å; F21-F75 HydrophobicContact CD2-CD2 4.41Å; F21-F75 HydrophobicContact CE1-CB 3.92Å; F21-F75 HydrophobicContact CE2-CB 4.36Å; F21-F75 HydrophobicContact CG-CB 4.36Å; F21-F75 AromaticContact CG-CD2 3.89Å; F21-F75 HydrophobicContact CG-CD2 3.89Å; F21-F75 HydrophobicContact CZ-CB 4.06Å; F21-F78 HydrophobicContact CB-CD1 3.81Å; F21-F78 HydrophobicContact CB-CE1 4.05Å; F21-F78 HydrophobicContact CD2-CB 3.67Å; F21-F78 AromaticContact CD2-CD1 3.91Å; F21-F78 HydrophobicContact CD2-CD1 3.91Å; F21-F78 AromaticContact CD2-CG 3.79Å; F21-F78 HydrophobicContact CD2-CG 3.79Å; F21-F78 HydrophobicContact CE2-CB 4.08Å; F21-F78 HydrophobicContact CG-CD1 4.33Å
22	Q	93.8	Very high	88	Confident	110 Å²	110	59.5 Å²	59.5	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-27.1	-177.8	-71.9	174	-25.9	0	0	113.8	L18 L20 Y24	L18-Q22 HydrophobicContact CD1-CG 4.27Å; L18-Q22 HydrophobicContact CG-CG 4.46Å; L18-Q22 WeakPolarHBondContact O-CB 3.48Å; L18-Q22 VanDerWaalsContact O-CG 3.3Å; L18-Q22 WeakPolarHBondContact O-CG 3.47Å; L18-Q22 PolarHBondContact O-N 2.87Å; L20-Q22 PolarHBondContact O-N 3.1Å; Q22-Y24 PolarHBondContact O-N 3.27Å
23	R	94	Very high	89.9	Confident	132 Å²	132	53.6 Å²	53.6	50%	0.498	29%	0.292	S	S	.	.	H	α-helix	trans	-65.6	-21.9	174.5	-77	-168.5	-64.6	140.2	-12.8	113.4	S19 L20 F21 E43 Y548	S19-R23 WeakPolarHBondContact O-CG 3.34Å; S19-R23 PolarHBondContact O-N 3.34Å; L20-R23 PolarHBondContact O-N 3.46Å; F21-R23 PolarHBondContact O-N 2.85Å; F21-R23 VanDerWaalsContact O-N 3.16Å; R23-E43 IonicContact CZ-OE1 2.85Å; R23-E43 IonicContact NH1-OE1 2.81Å; R23-E43 PolarHBondContact NH1-OE1 3.34Å; R23-E43 IonicContact NH2-OE1 2.7Å; R23-E43 PolarHBondContact NH2-OE1 3.36Å; R23-E43 IonicContact NH2-OE2 3.85Å; R23-Y548 PolarHBondContact NH2-OH 2.9Å
24	Y	95.3	Very high	91.6	Very high	36 Å²	36	54.2 Å²	54.2	14%	0.141	31%	0.307	C	S	.	.	H	α-helix	trans	-113.6	-3.5	-175.8	-71.8	-92.6	0	0	0	113.6	L20 F21 Q22 L31 A35 T38 F39 E43	L20-Y24 WeakPolarHBondContact O-CD2 3.45Å; F21-Y24 PolarHBondContact O-N 2.74Å; Q22-Y24 PolarHBondContact O-N 3.27Å; Y24-L31 VanDerWaalsContact CB-CD1 3.45Å; Y24-L31 WeakPolarHBondContact O-CD1 3.43Å; Y24-A35 WeakPolarHBondContact O-CB 3.31Å; Y24-T38 HydrophobicContact CE1-CG2 3.97Å; Y24-F39 HydrophobicContact CD1-CB 4.08Å; Y24-F39 HydrophobicContact CD2-CB 4.38Å; Y24-F39 HydrophobicContact CD2-CD2 4.04Å; Y24-F39 HydrophobicContact CE1-CB 4.09Å; Y24-F39 HydrophobicContact CE2-CB 4.4Å; Y24-F39 AromaticContact CE2-CD2 3.85Å; Y24-F39 HydrophobicContact CE2-CD2 3.85Å; Y24-F39 HydrophobicContact CG-CB 4.25Å; Y24-E43 HydrophobicContact CE2-CG 3.78Å; Y24-E43 VanDerWaalsContact OH-CD 3.29Å; Y24-E43 WeakPolarHBondContact OH-CG 3.16Å; Y24-E43 PolarHBondContact OH-OE1 2.9Å
25	T	92.1	Very high	92.3	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.043	31%	0.31	C	S	.	.	H	α-helix	trans	-101.1	-6.8	176.6	67.6	0	0	0	0	114.7	F21 G27 I28 T30 L31	F21-T25 HydrophobicContact CD1-CG2 3.83Å; F21-T25 HydrophobicContact CD2-CG2 4.19Å; F21-T25 HydrophobicContact CE1-CG2 3.48Å; F21-T25 VanDerWaalsContact CE1-CG2 3.48Å; F21-T25 HydrophobicContact CE2-CG2 3.88Å; F21-T25 HydrophobicContact CG-CG2 4.18Å; F21-T25 HydrophobicContact CZ-CG2 3.52Å; F21-T25 WeakPolarHBondContact O-CG2 3.29Å; F21-T25 PolarHBondContact O-N 3.06Å; T25-G27 PolarHBondContact O-N 3.19Å; T25-I28 WeakPolarHBondContact CB-O 3.35Å; T25-I28 VanDerWaalsContact O-CB 3.29Å; T25-I28 WeakPolarHBondContact O-CB 3.46Å; T25-I28 WeakPolarHBondContact O-CG1 3.44Å; T25-I28 PolarHBondContact O-N 3.09Å; T25-I28 PolarHBondContact OG1-O 2.98Å; T25-I28 VanDerWaalsContact OG1-O 3.06Å; T25-T30 WeakPolarHBondContact CG2-O 3.34Å; T25-L31 HydrophobicContact CG2-CB 3.86Å; T25-L31 HydrophobicContact CG2-CD1 4.03Å
26	E	83.6	Confident	92.8	Very high	185 Å²	185	51.4 Å²	51.4	86%	0.864	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	30.3	176.7	-60	-175.2	-177.6	0	0	114.3
27	G	80.5	Confident	93.2	Very high	76 Å²	76	52.3 Å²	52.3	78%	0.784	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-3.6	-179.2	0	0	0	0	0	115.4	T25	T25-G27 PolarHBondContact O-N 3.19Å
28	I	87.4	Confident	93.4	Very high	97 Å²	97	54.8 Å²	54.8	50%	0.497	31%	0.314	S	S	.	.			trans	-79.6	146.1	172.1	-54.5	176.7	0	0	0	109	T25 T30	T25-I28 WeakPolarHBondContact CB-O 3.35Å; T25-I28 VanDerWaalsContact O-CB 3.29Å; T25-I28 WeakPolarHBondContact O-CB 3.46Å; T25-I28 WeakPolarHBondContact O-CG1 3.44Å; T25-I28 PolarHBondContact O-N 3.09Å; T25-I28 PolarHBondContact OG1-O 2.98Å; T25-I28 VanDerWaalsContact OG1-O 3.06Å; I28-T30 PolarHBondContact O-N 3.25Å
29	P	89.6	Confident	93.7	Very high	107 Å²	107	52.7 Å²	52.7	70%	0.695	30%	0.303	S	S	*	.	S	Bend	trans	-70.6	-11	-179.5	27.3	-36.8	0	0	0	114.6
30	T	95.2	Very high	94	Very high	35 Å²	35	50 Å²	50	22%	0.215	28%	0.284	C	S	.	.	S	Bend	trans	-127.7	155.3	-176.2	58.7	0	0	0	0	111.5	T25 I28 P32 M73 T74	T25-T30 WeakPolarHBondContact CG2-O 3.34Å; I28-T30 PolarHBondContact O-N 3.25Å; T30-P32 WeakPolarHBondContact O-CD 3.5Å; T30-M73 CarbonylContact C-O 3.46Å; T30-M73 WeakPolarHBondContact CA-O 3.41Å; T30-T74 HydrophobicContact CG2-CG2 4.46Å
31	L	96.8	Very high	94.1	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106	178.9	-179.9	70.1	0	0	0	109.4	F21 Y24 T25 A35 L36 C72 M73 F78	F21-L31 HydrophobicContact CD2-CB 4.2Å; F21-L31 HydrophobicContact CD2-CD2 4.41Å; F21-L31 HydrophobicContact CE2-CB 3.57Å; F21-L31 HydrophobicContact CZ-CB 4.24Å; Y24-L31 VanDerWaalsContact CB-CD1 3.45Å; Y24-L31 WeakPolarHBondContact O-CD1 3.43Å; T25-L31 HydrophobicContact CG2-CB 3.86Å; T25-L31 HydrophobicContact CG2-CD1 4.03Å; L31-A35 HydrophobicContact CD1-CB 3.52Å; L31-A35 HydrophobicContact CG-CB 4.36Å; L31-L36 HydrophobicContact CD2-CB 3.95Å; L31-L36 HydrophobicContact CD2-CD1 3.91Å; L31-L36 HydrophobicContact CD2-CG 4.48Å; L31-L36 HydrophobicContact CG-CB 4.19Å; L31-C72 CarbonylContact O-C 3.56Å; L31-C72 WeakPolarHBondContact O-CA 3.41Å; L31-M73 HydrophobicContact CB-CB 4.37Å; L31-M73 WeakPolarHBondContact CB-O 3.31Å; L31-M73 PolarHBondContact N-O 3.08Å; L31-M73 PolarHBondContact O-N 3.3Å; L31-F78 HydrophobicContact CD2-CD2 3.91Å; L31-F78 HydrophobicContact CD2-CE2 4.26Å
32	P	96.8	Very high	94.2	Very high	43 Å²	43	58.2 Å²	58.2	28%	0.279	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	151.9	177.3	-23.3	33.8	0	0	0	112.4	T30 S34 A35 L36	T30-P32 WeakPolarHBondContact O-CD 3.5Å; P32-S34 PolarHBondContact O-N 3.35Å; P32-S34 VanDerWaalsContact O-N 3.1Å; P32-A35 WeakPolarHBondContact O-CA 3.11Å; P32-A35 WeakPolarHBondContact O-CB 3.32Å; P32-A35 PolarHBondContact O-N 3.01Å; P32-L36 PolarHBondContact O-N 3.2Å
33	A	97.5	Very high	94.3	Very high	11 Å²	11	54.4 Å²	54.4	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-52	-35.3	177.6	0	0	0	0	0	113.6	L36 L37 A54 E55 I58 R71	A33-L36 PolarHBondContact O-N 3.17Å; A33-L37 WeakPolarHBondContact O-CB 3.45Å; A33-L37 PolarHBondContact O-N 2.9Å; A33-A54 HydrophobicContact CB-CB 4.48Å; A33-A54 WeakPolarHBondContact O-CB 3.34Å; A33-E55 HydrophobicContact CB-CG 4.13Å; A33-I58 HydrophobicContact CB-CD1 3.62Å; A33-R71 HydrophobicContact CB-CB 4.38Å; A33-R71 WeakPolarHBondContact CB-O 3.42Å; A33-R71 PolarHBondContact N-O 2.66Å
34	S	96.8	Very high	94.4	Very high	82 Å²	82	48.1 Å²	48.1	57%	0.573	28%	0.283	S	S	*	.	H	α-helix	trans	-66.5	-39	175.6	54.5	0	0	0	0	113.2	P32 T38	P32-S34 PolarHBondContact O-N 3.35Å; P32-S34 VanDerWaalsContact O-N 3.1Å; S34-T38 PolarHBondContact O-N 3.46Å; S34-T38 PolarHBondContact O-OG1 3.47Å
35	A	97.1	Very high	94.4	Very high	18 Å²	18	50 Å²	50	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-73.2	-38.3	175.6	0	0	0	0	0	111.1	Y24 L31 P32 T38 F39	Y24-A35 WeakPolarHBondContact O-CB 3.31Å; L31-A35 HydrophobicContact CD1-CB 3.52Å; L31-A35 HydrophobicContact CG-CB 4.36Å; P32-A35 WeakPolarHBondContact O-CA 3.11Å; P32-A35 WeakPolarHBondContact O-CB 3.32Å; P32-A35 PolarHBondContact O-N 3.01Å; A35-T38 WeakPolarHBondContact O-CB 3.41Å; A35-T38 PolarHBondContact O-N 2.93Å; A35-F39 PolarHBondContact O-N 3.24Å
36	L	97.7	Very high	94.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-46.1	171.1	178.9	59.4	0	0	0	111.2	L31 P32 A33 T38 F39 L40 A54 L57 I58 M73 F78	L31-L36 HydrophobicContact CD2-CB 3.95Å; L31-L36 HydrophobicContact CD2-CD1 3.91Å; L31-L36 HydrophobicContact CD2-CG 4.48Å; L31-L36 HydrophobicContact CG-CB 4.19Å; P32-L36 PolarHBondContact O-N 3.2Å; A33-L36 PolarHBondContact O-N 3.17Å; L36-T38 VanDerWaalsContact C-N 3.27Å; L36-T38 PolarHBondContact O-N 2.81Å; L36-F39 HydrophobicContact CD1-CD1 4.27Å; L36-F39 WeakPolarHBondContact O-CA 3.43Å; L36-F39 WeakPolarHBondContact O-CB 3.43Å; L36-F39 PolarHBondContact O-N 3.47Å; L36-F39 VanDerWaalsContact O-N 3.1Å; L36-L40 HydrophobicContact CD1-CG 4.48Å; L36-L40 HydrophobicContact CG-CD1 4.41Å; L36-L40 VanDerWaalsContact O-CG 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.24Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-A54 HydrophobicContact CB-CB 4.47Å; L36-A54 HydrophobicContact CD2-CB 4.29Å; L36-A54 HydrophobicContact CG-CB 4.31Å; L36-L57 HydrophobicContact CD2-CB 4.19Å; L36-I58 HydrophobicContact CD2-CD1 4.35Å; L36-I58 HydrophobicContact CD2-CG1 3.95Å; L36-M73 HydrophobicContact CD2-CE 3.85Å; L36-M73 HydrophobicContact CD2-SD 4.35Å; L36-F78 HydrophobicContact CD1-CD2 4.46Å; L36-F78 HydrophobicContact CD1-CE2 4.46Å
37	L	98.1	Very high	94.9	Very high	40 Å²	40	51 Å²	51	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-43.2	173.7	176.6	56.5	0	0	0	111.5	A33 F39 L40 C41 A49 N50 A54	A33-L37 WeakPolarHBondContact O-CB 3.45Å; A33-L37 PolarHBondContact O-N 2.9Å; L37-F39 VanDerWaalsContact C-N 3.33Å; L37-F39 PolarHBondContact O-N 2.95Å; L37-L40 PolarHBondContact O-N 2.72Å; L37-C41 PolarHBondContact O-N 3.29Å; L37-C41 PolarHBondContact O-SG 3.26Å; L37-C41 VanDerWaalsContact O-SG 3.39Å; L37-A49 HydrophobicContact CD1-CB 3.85Å; L37-A49 WeakPolarHBondContact CD1-O 3.3Å; L37-N50 WeakPolarHBondContact CD1-O 3.24Å; L37-A54 HydrophobicContact CB-CB 4.03Å
38	T	97.4	Very high	95.5	Very high	52 Å²	52	51.9 Å²	51.9	32%	0.319	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-42.8	176.2	-55.4	0	0	0	0	111.5	Y24 S34 A35 L36 C41 K42	Y24-T38 HydrophobicContact CE1-CG2 3.97Å; S34-T38 PolarHBondContact O-N 3.46Å; S34-T38 PolarHBondContact O-OG1 3.47Å; A35-T38 WeakPolarHBondContact O-CB 3.41Å; A35-T38 PolarHBondContact O-N 2.93Å; L36-T38 VanDerWaalsContact C-N 3.27Å; L36-T38 PolarHBondContact O-N 2.81Å; T38-C41 PolarHBondContact O-N 3.48Å; T38-K42 HydrophobicContact CG2-CD 3.81Å; T38-K42 HydrophobicContact CG2-CG 4.27Å; T38-K42 VanDerWaalsContact O-CB 3.31Å; T38-K42 WeakPolarHBondContact O-CB 3.48Å; T38-K42 WeakPolarHBondContact O-CG 3.49Å; T38-K42 PolarHBondContact O-N 3.19Å
39	F	97.6	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-44.3	173.6	169.3	-89.5	0	0	0	111.9	L20 Y24 A35 L36 L37 C41 K42 E43 Q44 F78 Y81 M82	L20-F39 HydrophobicContact CD2-CE2 4.21Å; Y24-F39 HydrophobicContact CD1-CB 4.08Å; Y24-F39 HydrophobicContact CD2-CB 4.38Å; Y24-F39 HydrophobicContact CD2-CD2 4.04Å; Y24-F39 HydrophobicContact CE1-CB 4.09Å; Y24-F39 HydrophobicContact CE2-CB 4.4Å; Y24-F39 AromaticContact CE2-CD2 3.85Å; Y24-F39 HydrophobicContact CE2-CD2 3.85Å; Y24-F39 HydrophobicContact CG-CB 4.25Å; A35-F39 PolarHBondContact O-N 3.24Å; L36-F39 HydrophobicContact CD1-CD1 4.27Å; L36-F39 WeakPolarHBondContact O-CA 3.43Å; L36-F39 WeakPolarHBondContact O-CB 3.43Å; L36-F39 PolarHBondContact O-N 3.47Å; L36-F39 VanDerWaalsContact O-N 3.1Å; L37-F39 VanDerWaalsContact C-N 3.33Å; L37-F39 PolarHBondContact O-N 2.95Å; F39-C41 PolarHBondContact O-N 3.13Å; F39-K42 PolarHBondContact O-N 3.31Å; F39-E43 HydrophobicContact CD2-CB 3.71Å; F39-E43 HydrophobicContact CD2-CG 3.58Å; F39-E43 HydrophobicContact CE2-CB 3.59Å; F39-E43 HydrophobicContact CE2-CG 3.83Å; F39-E43 HydrophobicContact CG-CB 4.35Å; F39-E43 HydrophobicContact CG-CG 4.4Å; F39-E43 HydrophobicContact CZ-CB 4.15Å; F39-E43 WeakPolarHBondContact O-CA 3.33Å; F39-E43 WeakPolarHBondContact O-CB 3.4Å; F39-E43 PolarHBondContact O-N 2.86Å; F39-Q44 HydrophobicContact CD1-CG 4.09Å; F39-Q44 HydrophobicContact CE1-CG 3.39Å; F39-Q44 HydrophobicContact CZ-CG 3.92Å; F39-Q44 PolarHBondContact O-N 2.97Å; F39-F78 AromaticContact CD1-CE2 3.98Å; F39-F78 HydrophobicContact CD1-CE2 3.98Å; F39-F78 HydrophobicContact CD1-CZ 4.42Å; F39-F78 HydrophobicContact CD2-CE2 4.41Å; F39-F78 HydrophobicContact CD2-CZ 4.2Å; F39-F78 AromaticContact CE1-CE2 3.79Å; F39-F78 HydrophobicContact CE1-CE2 3.79Å; F39-F78 AromaticContact CE1-CZ 3.98Å; F39-F78 HydrophobicContact CE1-CZ 3.98Å; F39-F78 HydrophobicContact CE2-CE2 4.24Å; F39-F78 AromaticContact CE2-CZ 3.73Å; F39-F78 HydrophobicContact CE2-CZ 3.73Å; F39-F78 HydrophobicContact CG-CE2 4.3Å; F39-F78 AromaticContact CZ-CE2 3.94Å; F39-F78 HydrophobicContact CZ-CE2 3.94Å; F39-F78 AromaticContact CZ-CZ 3.61Å; F39-F78 HydrophobicContact CZ-CZ 3.61Å; F39-Y81 AromaticContact CE1-CE1 3.94Å; F39-Y81 HydrophobicContact CE1-CE1 3.94Å; F39-M82 HydrophobicContact CE1-SD 4.04Å; F39-M82 HydrophobicContact CZ-CE 4.28Å; F39-M82 HydrophobicContact CZ-SD 3.76Å
40	L	97.6	Very high	96.3	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-46.4	178.7	-66.5	170.8	0	0	0	111.6	L36 L37 Q44 M45 E46 A49 T53 A54 L57 Y81	L36-L40 HydrophobicContact CD1-CG 4.48Å; L36-L40 HydrophobicContact CG-CD1 4.41Å; L36-L40 VanDerWaalsContact O-CG 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.24Å; L36-L40 PolarHBondContact O-N 3.44Å; L37-L40 PolarHBondContact O-N 2.72Å; L40-Q44 HydrophobicContact CD2-CG 4.31Å; L40-Q44 CarbonylContact O-C 3.48Å; L40-Q44 WeakPolarHBondContact O-CA 3.38Å; L40-Q44 WeakPolarHBondContact O-CB 3.46Å; L40-Q44 PolarHBondContact O-N 3.36Å; L40-M45 PolarHBondContact O-N 2.73Å; L40-M45 VanDerWaalsContact O-N 3.08Å; L40-E46 PolarHBondContact O-N 3.12Å; L40-A49 HydrophobicContact CB-CB 4.01Å; L40-A49 HydrophobicContact CD1-CB 4.24Å; L40-T53 HydrophobicContact CD1-CG2 4.33Å; L40-A54 HydrophobicContact CD1-CB 4.34Å; L40-L57 HydrophobicContact CD1-CD1 3.62Å; L40-L57 HydrophobicContact CD2-CD1 3.78Å; L40-L57 HydrophobicContact CG-CD1 4.3Å; L40-Y81 HydrophobicContact CD2-CE1 4.4Å; L40-Y81 WeakPolarHBondContact CD2-OH 3.49Å
41	C	96.9	Very high	96.4	Very high	41 Å²	41	51.2 Å²	51.2	28%	0.277	29%	0.288	S	S	.	.	H	α-helix	trans	-70.7	-42.7	-179.8	-62.8	0	0	0	0	112.5	L37 T38 F39 M45	L37-C41 PolarHBondContact O-N 3.29Å; L37-C41 PolarHBondContact O-SG 3.26Å; L37-C41 VanDerWaalsContact O-SG 3.39Å; T38-C41 PolarHBondContact O-N 3.48Å; F39-C41 PolarHBondContact O-N 3.13Å; C41-M45 WeakPolarHBondContact O-CA 3.44Å
42	K	96	Very high	96.4	Very high	146 Å²	146	56.3 Å²	56.3	64%	0.635	32%	0.316	S	S	*	.	H	α-helix	trans	-84.2	-47.2	-173.7	-68.8	-172.2	-179	175.3	0	113.6	T38 F39	T38-K42 HydrophobicContact CG2-CD 3.81Å; T38-K42 HydrophobicContact CG2-CG 4.27Å; T38-K42 VanDerWaalsContact O-CB 3.31Å; T38-K42 WeakPolarHBondContact O-CB 3.48Å; T38-K42 WeakPolarHBondContact O-CG 3.49Å; T38-K42 PolarHBondContact O-N 3.19Å; F39-K42 PolarHBondContact O-N 3.31Å
43	E	96.1	Very high	96.4	Very high	30 Å²	30	56.8 Å²	56.8	14%	0.14	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-35.7	-170.6	-53.9	-71.2	-174.3	0	0	112	R23 Y24 F39 G547 Y548	R23-E43 IonicContact CZ-OE1 2.85Å; R23-E43 IonicContact NH1-OE1 2.81Å; R23-E43 PolarHBondContact NH1-OE1 3.34Å; R23-E43 IonicContact NH2-OE1 2.7Å; R23-E43 PolarHBondContact NH2-OE1 3.36Å; R23-E43 IonicContact NH2-OE2 3.85Å; Y24-E43 HydrophobicContact CE2-CG 3.78Å; Y24-E43 VanDerWaalsContact OH-CD 3.29Å; Y24-E43 WeakPolarHBondContact OH-CG 3.16Å; Y24-E43 PolarHBondContact OH-OE1 2.9Å; F39-E43 HydrophobicContact CD2-CB 3.71Å; F39-E43 HydrophobicContact CD2-CG 3.58Å; F39-E43 HydrophobicContact CE2-CB 3.59Å; F39-E43 HydrophobicContact CE2-CG 3.83Å; F39-E43 HydrophobicContact CG-CB 4.35Å; F39-E43 HydrophobicContact CG-CG 4.4Å; F39-E43 HydrophobicContact CZ-CB 4.15Å; F39-E43 WeakPolarHBondContact O-CA 3.33Å; F39-E43 WeakPolarHBondContact O-CB 3.4Å; F39-E43 PolarHBondContact O-N 2.86Å; E43-G547 WeakPolarHBondContact O-CA 3.14Å; E43-Y548 HydrophobicContact CB-CD2 3.94Å; E43-Y548 HydrophobicContact CB-CE2 3.97Å; E43-Y548 HydrophobicContact CG-CE2 4.41Å; E43-Y548 WeakPolarHBondContact OE2-CE2 3.28Å
44	Q	96	Very high	96.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.314	C	S	.	.	S	Bend	trans	-88.6	-10.5	176	-62.9	-68	-13.8	0	0	113.3	F39 L40 E46 Y548 R549	F39-Q44 HydrophobicContact CD1-CG 4.09Å; F39-Q44 HydrophobicContact CE1-CG 3.39Å; F39-Q44 HydrophobicContact CZ-CG 3.92Å; F39-Q44 PolarHBondContact O-N 2.97Å; L40-Q44 HydrophobicContact CD2-CG 4.31Å; L40-Q44 CarbonylContact O-C 3.48Å; L40-Q44 WeakPolarHBondContact O-CA 3.38Å; L40-Q44 WeakPolarHBondContact O-CB 3.46Å; L40-Q44 PolarHBondContact O-N 3.36Å; Q44-E46 HydrophobicContact CB-CG 3.82Å; Q44-E46 PolarHBondContact O-N 3.37Å; Q44-Y548 PolarHBondContact NE2-O 3.16Å; Q44-Y548 PolarHBondContact OE1-O 3.5Å; Q44-R549 PolarHBondContact O-NH2 2.97Å
45	M	95.4	Very high	96.5	Very high	74 Å²	74	54.1 Å²	54.1	37%	0.365	29%	0.294	S	S	.	.			trans	55.8	29	-176.8	-54	-176.8	72.8	0	0	113.2	L40 C41 L47 K546	L40-M45 PolarHBondContact O-N 2.73Å; L40-M45 VanDerWaalsContact O-N 3.08Å; C41-M45 WeakPolarHBondContact O-CA 3.44Å; M45-L47 VanDerWaalsContact C-N 3.33Å; M45-L47 PolarHBondContact O-N 3.18Å; M45-L47 VanDerWaalsContact O-N 3.09Å; M45-K546 HydrophobicContact CB-CB 3.96Å; M45-K546 HydrophobicContact CB-CD 4.44Å; M45-K546 HydrophobicContact CE-CD 3.88Å; M45-K546 HydrophobicContact CG-CB 4.24Å; M45-K546 HydrophobicContact SD-CB 3.72Å; M45-K546 HydrophobicContact SD-CD 3.78Å; M45-K546 HydrophobicContact SD-CG 4.27Å
46	E	93.8	Very high	96.5	Very high	62 Å²	62	56.8 Å²	56.8	29%	0.29	31%	0.306	S	S	.	.			trans	-83.6	77.9	175.8	-58.3	-69.6	177.9	0	0	108.5	L40 Q44 A48 A49 K545 R549	L40-E46 PolarHBondContact O-N 3.12Å; Q44-E46 HydrophobicContact CB-CG 3.82Å; Q44-E46 PolarHBondContact O-N 3.37Å; E46-A48 PolarHBondContact O-N 2.99Å; E46-A49 HydrophobicContact CB-CB 4.09Å; E46-A49 VanDerWaalsContact O-CB 3.22Å; E46-A49 WeakPolarHBondContact O-CB 3.23Å; E46-A49 PolarHBondContact O-N 3.12Å; E46-K545 VanDerWaalsContact OE1-CE 3.23Å; E46-K545 WeakPolarHBondContact OE1-CE 3.45Å; E46-K545 IonicContact OE1-NZ 2.63Å; E46-K545 PolarHBondContact OE1-NZ 2.84Å; E46-R549 IonicContact OE1-CZ 3.11Å; E46-R549 IonicContact OE1-NH1 3.49Å; E46-R549 IonicContact OE1-NH2 2.65Å; E46-R549 PolarHBondContact OE1-NH2 3.27Å
47	L	92.2	Very high	96.5	Very high	151 Å²	151	57.1 Å²	57.1	79%	0.791	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-21.2	-172.6	-60.1	-179.9	0	0	0	114	M45	M45-L47 VanDerWaalsContact C-N 3.33Å; M45-L47 PolarHBondContact O-N 3.18Å; M45-L47 VanDerWaalsContact O-N 3.09Å
48	A	94.3	Very high	96.6	Very high	96 Å²	96	55.2 Å²	55.2	79%	0.793	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-3.2	176.5	0	0	0	0	0	113.2	E46	E46-A48 PolarHBondContact O-N 2.99Å
49	A	95.7	Very high	96.6	Very high	18 Å²	18	56.5 Å²	56.5	15%	0.149	30%	0.303	C	S	.	.			trans	-62.5	139.3	178.2	0	0	0	0	0	110.5	L37 L40 E46 T53	L37-A49 HydrophobicContact CD1-CB 3.85Å; L37-A49 WeakPolarHBondContact CD1-O 3.3Å; L40-A49 HydrophobicContact CB-CB 4.01Å; L40-A49 HydrophobicContact CD1-CB 4.24Å; E46-A49 HydrophobicContact CB-CB 4.09Å; E46-A49 VanDerWaalsContact O-CB 3.22Å; E46-A49 WeakPolarHBondContact O-CB 3.23Å; E46-A49 PolarHBondContact O-N 3.12Å; A49-T53 HydrophobicContact CB-CG2 4.17Å
50	N	97.3	Very high	96.6	Very high	76 Å²	76	61.7 Å²	61.7	41%	0.406	32%	0.323	S	S	.	.			trans	-131.6	-177.2	178.5	63.5	18.6	0	0	0	110.2	L37 D52 T53 A54	L37-N50 WeakPolarHBondContact CD1-O 3.24Å; N50-D52 VanDerWaalsContact C-N 3.31Å; N50-D52 PolarHBondContact O-N 2.69Å; N50-D52 PolarHBondContact OD1-N 2.82Å; N50-T53 PolarHBondContact N-OG1 2.95Å; N50-T53 VanDerWaalsContact O-CB 3.29Å; N50-T53 WeakPolarHBondContact O-CB 3.37Å; N50-T53 PolarHBondContact O-N 2.78Å; N50-T53 VanDerWaalsContact O-N 3.13Å; N50-T53 PolarHBondContact OD1-N 2.9Å; N50-T53 PolarHBondContact OD1-OG1 2.77Å; N50-A54 PolarHBondContact O-N 2.84Å
51	K	97.2	Very high	96.6	Very high	130 Å²	130	63.3 Å²	63.3	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-54.7	-47.4	179.8	-175.8	-178.8	167.9	-173.2	0	111.9	T53 A54 E55	K51-T53 PolarHBondContact O-N 2.75Å; K51-A54 PolarHBondContact O-N 3.47Å; K51-E55 WeakPolarHBondContact CE-OE1 3.29Å; K51-E55 HydrophobicContact CG-CG 4.47Å; K51-E55 IonicContact NZ-OE1 3.8Å; K51-E55 PolarHBondContact O-N 2.94Å
52	D	97.6	Very high	96.6	Very high	109 Å²	109	61.9 Å²	61.9	58%	0.583	32%	0.318	S	S	*	.	H	α-helix	trans	-61.1	-35.5	-179.9	-52.3	-21.2	0	0	0	111.7	N50 A54 E55 D56	N50-D52 VanDerWaalsContact C-N 3.31Å; N50-D52 PolarHBondContact O-N 2.69Å; N50-D52 PolarHBondContact OD1-N 2.82Å; D52-A54 PolarHBondContact O-N 2.76Å; D52-E55 PolarHBondContact O-N 3.38Å; D52-D56 VanDerWaalsContact O-CB 3.31Å; D52-D56 WeakPolarHBondContact O-CB 3.3Å; D52-D56 PolarHBondContact O-N 3.27Å
53	T	96.8	Very high	96.7	Very high	52 Å²	52	60.5 Å²	60.5	32%	0.319	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-43.6	174.9	-50	0	0	0	0	111.4	L40 A49 N50 K51 L57	L40-T53 HydrophobicContact CD1-CG2 4.33Å; A49-T53 HydrophobicContact CB-CG2 4.17Å; N50-T53 PolarHBondContact N-OG1 2.95Å; N50-T53 VanDerWaalsContact O-CB 3.29Å; N50-T53 WeakPolarHBondContact O-CB 3.37Å; N50-T53 PolarHBondContact O-N 2.78Å; N50-T53 VanDerWaalsContact O-N 3.13Å; N50-T53 PolarHBondContact OD1-N 2.9Å; N50-T53 PolarHBondContact OD1-OG1 2.77Å; K51-T53 PolarHBondContact O-N 2.75Å; T53-L57 VanDerWaalsContact O-CG 3.3Å; T53-L57 WeakPolarHBondContact O-CG 2.98Å; T53-L57 PolarHBondContact O-N 3.25Å
54	A	97.9	Very high	96.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-70.3	-40.1	179.6	0	0	0	0	0	111.6	A33 L36 L37 L40 N50 K51 D52 L57 I58	A33-A54 HydrophobicContact CB-CB 4.48Å; A33-A54 WeakPolarHBondContact O-CB 3.34Å; L36-A54 HydrophobicContact CB-CB 4.47Å; L36-A54 HydrophobicContact CD2-CB 4.29Å; L36-A54 HydrophobicContact CG-CB 4.31Å; L37-A54 HydrophobicContact CB-CB 4.03Å; L40-A54 HydrophobicContact CD1-CB 4.34Å; N50-A54 PolarHBondContact O-N 2.84Å; K51-A54 PolarHBondContact O-N 3.47Å; D52-A54 PolarHBondContact O-N 2.76Å; A54-L57 PolarHBondContact O-N 3.16Å; A54-I58 WeakPolarHBondContact O-CG1 3.42Å; A54-I58 PolarHBondContact O-N 3.29Å; A54-I58 VanDerWaalsContact O-N 3.09Å
55	E	97.9	Very high	96.8	Very high	37 Å²	37	70.1 Å²	70.1	17%	0.173	36%	0.364	C	S	.	.	H	α-helix	trans	-67.1	-40.8	177.1	-68.9	-177.5	165.7	0	0	112	A33 K51 D52 L57 I58 D59	A33-E55 HydrophobicContact CB-CG 4.13Å; K51-E55 WeakPolarHBondContact CE-OE1 3.29Å; K51-E55 HydrophobicContact CG-CG 4.47Å; K51-E55 IonicContact NZ-OE1 3.8Å; K51-E55 PolarHBondContact O-N 2.94Å; D52-E55 PolarHBondContact O-N 3.38Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.25Å; E55-I58 WeakPolarHBondContact O-CB 3.48Å; E55-I58 PolarHBondContact O-N 3.27Å; E55-I58 VanDerWaalsContact O-N 3.12Å; E55-D59 PolarHBondContact O-N 3.31Å
56	D	97.8	Very high	96.8	Very high	74 Å²	74	69 Å²	69	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	-58.9	-40.1	172.4	171.6	74.1	0	0	0	112.1	D52 I58 D59 R60	D52-D56 VanDerWaalsContact O-CB 3.31Å; D52-D56 WeakPolarHBondContact O-CB 3.3Å; D52-D56 PolarHBondContact O-N 3.27Å; D56-I58 VanDerWaalsContact C-N 3.34Å; D56-I58 PolarHBondContact O-N 2.63Å; D56-D59 PolarHBondContact O-N 3.12Å; D56-R60 WeakPolarHBondContact O-CB 3.41Å; D56-R60 WeakPolarHBondContact O-CG 3.38Å; D56-R60 PolarHBondContact O-N 3.24Å; D56-R60 IonicContact OD1-NE 3.06Å; D56-R60 IonicContact OD2-CZ 3.36Å; D56-R60 VanDerWaalsContact OD2-CZ 3.25Å; D56-R60 IonicContact OD2-NE 3.78Å; D56-R60 PolarHBondContact OD2-NE 2.8Å; D56-R60 IonicContact OD2-NH2 2.87Å; D56-R60 PolarHBondContact OD2-NH2 3.43Å
57	L	97.9	Very high	96.9	Very high	7 Å²	7	66.3 Å²	66.3	4%	0.037	36%	0.355	C	S	.	.	H	α-helix	trans	-66.3	-36.5	176.2	-73.1	170.6	0	0	0	112.4	L36 L40 T53 A54 E55 Y61 M73 Y81	L36-L57 HydrophobicContact CD2-CB 4.19Å; L40-L57 HydrophobicContact CD1-CD1 3.62Å; L40-L57 HydrophobicContact CD2-CD1 3.78Å; L40-L57 HydrophobicContact CG-CD1 4.3Å; T53-L57 VanDerWaalsContact O-CG 3.3Å; T53-L57 WeakPolarHBondContact O-CG 2.98Å; T53-L57 PolarHBondContact O-N 3.25Å; A54-L57 PolarHBondContact O-N 3.16Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.25Å; L57-Y61 HydrophobicContact CD2-CD2 3.91Å; L57-Y61 HydrophobicContact CD2-CE2 3.61Å; L57-Y61 WeakPolarHBondContact O-CB 3.49Å; L57-Y61 WeakPolarHBondContact O-CD2 3.38Å; L57-Y61 PolarHBondContact O-N 2.68Å; L57-M73 HydrophobicContact CB-CE 4.49Å; L57-M73 WeakPolarHBondContact O-CE 3.25Å; L57-Y81 HydrophobicContact CD1-CE2 4.01Å; L57-Y81 HydrophobicContact CD2-CD2 3.68Å; L57-Y81 HydrophobicContact CD2-CE2 3.63Å; L57-Y81 HydrophobicContact CG-CE2 4.46Å
58	I	98.3	Very high	97.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-51	172.9	-68.3	163.8	0	0	0	109.5	A33 L36 A54 E55 D56 R60 Y61 E62 C72 M73	A33-I58 HydrophobicContact CB-CD1 3.62Å; L36-I58 HydrophobicContact CD2-CD1 4.35Å; L36-I58 HydrophobicContact CD2-CG1 3.95Å; A54-I58 WeakPolarHBondContact O-CG1 3.42Å; A54-I58 PolarHBondContact O-N 3.29Å; A54-I58 VanDerWaalsContact O-N 3.09Å; E55-I58 WeakPolarHBondContact O-CB 3.48Å; E55-I58 PolarHBondContact O-N 3.27Å; E55-I58 VanDerWaalsContact O-N 3.12Å; D56-I58 VanDerWaalsContact C-N 3.34Å; D56-I58 PolarHBondContact O-N 2.63Å; I58-R60 PolarHBondContact O-N 3.49Å; I58-Y61 PolarHBondContact O-N 3.05Å; I58-E62 HydrophobicContact CG2-CB 4.08Å; I58-E62 VanDerWaalsContact O-CB 3.24Å; I58-E62 WeakPolarHBondContact O-CB 3.33Å; I58-E62 PolarHBondContact O-N 2.93Å; I58-C72 WeakPolarHBondContact CG2-O 3.48Å; I58-M73 HydrophobicContact CB-CE 4.33Å; I58-M73 HydrophobicContact CG1-CB 4.26Å; I58-M73 HydrophobicContact CG1-CE 3.82Å
59	D	97.8	Very high	97.3	Very high	80 Å²	80	64.3 Å²	64.3	43%	0.428	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-30.5	-177.9	-68	-13.7	0	0	0	112.4	E55 D56 R71	E55-D59 PolarHBondContact O-N 3.31Å; D56-D59 PolarHBondContact O-N 3.12Å; D59-R71 IonicContact OD1-CZ 3.55Å; D59-R71 IonicContact OD1-NH1 3.88Å; D59-R71 PolarHBondContact OD1-NH1 3.08Å; D59-R71 IonicContact OD2-NH1 2.75Å; D59-R71 PolarHBondContact OD2-NH1 3.34Å
60	R	97.5	Very high	97.3	Very high	109 Å²	109	69 Å²	69	41%	0.411	35%	0.349	S	S	.	.	H	α-helix	trans	-85.7	-31.7	179	-72.1	-169.5	-66.7	124.1	-12.4	115.2	D56 I58 D86	D56-R60 WeakPolarHBondContact O-CB 3.41Å; D56-R60 WeakPolarHBondContact O-CG 3.38Å; D56-R60 PolarHBondContact O-N 3.24Å; D56-R60 IonicContact OD1-NE 3.06Å; D56-R60 IonicContact OD2-CZ 3.36Å; D56-R60 VanDerWaalsContact OD2-CZ 3.25Å; D56-R60 IonicContact OD2-NE 3.78Å; D56-R60 PolarHBondContact OD2-NE 2.8Å; D56-R60 IonicContact OD2-NH2 2.87Å; D56-R60 PolarHBondContact OD2-NH2 3.43Å; I58-R60 PolarHBondContact O-N 3.49Å; R60-D86 IonicContact CZ-OD2 3.76Å; R60-D86 IonicContact NH1-OD2 2.93Å; R60-D86 PolarHBondContact NH1-OD2 3.14Å; R60-D86 IonicContact NH2-OD2 3.9Å; R60-D86 PolarHBondContact NH2-OD2 2.82Å; R60-D86 VanDerWaalsContact NH2-OD2 3.12Å
61	Y	97.9	Very high	97.4	Very high	36 Å²	36	70 Å²	70	14%	0.141	35%	0.347	C	S	.	.	H	α-helix	trans	-117.6	-18.7	-168.7	-64.3	-62.7	0	0	0	114.3	L57 I58 G77 R80 Y81 S84 D86	L57-Y61 HydrophobicContact CD2-CD2 3.91Å; L57-Y61 HydrophobicContact CD2-CE2 3.61Å; L57-Y61 WeakPolarHBondContact O-CB 3.49Å; L57-Y61 WeakPolarHBondContact O-CD2 3.38Å; L57-Y61 PolarHBondContact O-N 2.68Å; I58-Y61 PolarHBondContact O-N 3.05Å; Y61-G77 WeakPolarHBondContact O-CA 3.25Å; Y61-R80 HydrophobicContact CD1-CB 4.38Å; Y61-R80 VanDerWaalsContact O-CZ 3.25Å; Y61-R80 PolarHBondContact O-NE 2.9Å; Y61-R80 PolarHBondContact O-NH2 3.43Å; Y61-Y81 AromaticContact CD2-CD2 3.89Å; Y61-Y81 HydrophobicContact CD2-CD2 3.89Å; Y61-Y81 HydrophobicContact CD2-CG 4.28Å; Y61-Y81 AromaticContact CE2-CD2 3.79Å; Y61-Y81 HydrophobicContact CE2-CD2 3.79Å; Y61-S84 VanDerWaalsContact CZ-CB 3.45Å; Y61-S84 VanDerWaalsContact OH-CB 3.3Å; Y61-S84 WeakPolarHBondContact OH-CB 3.42Å; Y61-S84 PolarHBondContact OH-OG 3.2Å; Y61-D86 PolarHBondContact OH-OD2 2.91Å
62	E	97.8	Very high	97.4	Very high	12 Å²	12	64.6 Å²	64.6	6%	0.056	33%	0.325	C	S	.	.			trans	-80.6	145.9	172.1	-169.1	49.8	-103.4	0	0	111.2	I58 D64 A67 I68 M73 T74 R80	I58-E62 HydrophobicContact CG2-CB 4.08Å; I58-E62 VanDerWaalsContact O-CB 3.24Å; I58-E62 WeakPolarHBondContact O-CB 3.33Å; I58-E62 PolarHBondContact O-N 2.93Å; E62-D64 PolarHBondContact OE1-N 2.96Å; E62-A67 HydrophobicContact CG-CB 3.9Å; E62-I68 HydrophobicContact CB-CD1 4.38Å; E62-I68 HydrophobicContact CB-CG1 3.79Å; E62-I68 HydrophobicContact CG-CD1 4.41Å; E62-I68 HydrophobicContact CG-CG1 3.72Å; E62-M73 WeakPolarHBondContact OE2-CA 3.45Å; E62-T74 VanDerWaalsContact CD-OG1 3.29Å; E62-T74 PolarHBondContact OE1-OG1 3.32Å; E62-T74 VanDerWaalsContact OE1-OG1 3.09Å; E62-T74 WeakPolarHBondContact OE2-CB 3.43Å; E62-T74 PolarHBondContact OE2-N 3.14Å; E62-T74 PolarHBondContact OE2-OG1 3.3Å; E62-R80 IonicContact OE1-NH2 2.98Å; E62-R80 PolarHBondContact OE1-NH2 2.94Å
63	I	97	Very high	97.3	Very high	117 Å²	117	59.4 Å²	59.4	60%	0.6	30%	0.298	S	S	*	.			trans	-118.7	-31.4	177	-66.3	176.7	0	0	0	110.3	E65 R80	I63-E65 PolarHBondContact O-N 3.48Å; I63-E65 VanDerWaalsContact O-N 3.13Å; I63-R80 VanDerWaalsContact CD1-CZ 3.49Å
64	D	96.9	Very high	97.3	Very high	80 Å²	80	58 Å²	58	43%	0.428	29%	0.289	S	S	.	.			trans	-65.5	112.5	178.2	-174.7	-82.2	0	0	0	110.6	E62 A66 A67 I68 T74	E62-D64 PolarHBondContact OE1-N 2.96Å; D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.36Å; D64-A66 WeakPolarHBondContact OD1-CB 3.44Å; D64-A66 PolarHBondContact OD1-N 3.09Å; D64-A67 HydrophobicContact CB-CB 3.95Å; D64-A67 WeakPolarHBondContact O-CB 3.36Å; D64-A67 PolarHBondContact O-N 3.01Å; D64-A67 VanDerWaalsContact O-N 3.12Å; D64-A67 PolarHBondContact OD1-N 3.49Å; D64-I68 WeakPolarHBondContact O-CG1 3.19Å; D64-I68 PolarHBondContact O-N 3.48Å; D64-T74 HydrophobicContact CB-CG2 3.96Å
65	E	96.8	Very high	97.2	Very high	152 Å²	152	58.4 Å²	58.4	71%	0.71	29%	0.291	S	S	*	.	H	α-helix	trans	-60.2	-39.5	-174	-66.3	-179.7	174.5	0	0	111.9	I63 A67 I68 E69	I63-E65 PolarHBondContact O-N 3.48Å; I63-E65 VanDerWaalsContact O-N 3.13Å; E65-A67 PolarHBondContact O-N 2.76Å; E65-I68 PolarHBondContact O-N 2.88Å; E65-E69 WeakPolarHBondContact O-CG 3.47Å; E65-E69 PolarHBondContact O-N 2.73Å
66	A	96.7	Very high	97	Very high	52 Å²	52	60.1 Å²	60.1	43%	0.43	30%	0.298	S	S	.	.	H	α-helix	trans	-66.3	-38.6	177.8	0	0	0	0	0	111.4	D64 N70	D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.36Å; D64-A66 WeakPolarHBondContact OD1-CB 3.44Å; D64-A66 PolarHBondContact OD1-N 3.09Å; A66-N70 WeakPolarHBondContact O-CB 3.32Å; A66-N70 PolarHBondContact O-N 3Å; A66-N70 VanDerWaalsContact O-N 3.1Å; A66-N70 PolarHBondContact O-ND2 3.31Å
67	A	96.3	Very high	96.9	Very high	5 Å²	5	56.6 Å²	56.6	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-42.7	174.3	0	0	0	0	0	111.8	E62 D64 E65 N70 R71 C72 T74	E62-A67 HydrophobicContact CG-CB 3.9Å; D64-A67 HydrophobicContact CB-CB 3.95Å; D64-A67 WeakPolarHBondContact O-CB 3.36Å; D64-A67 PolarHBondContact O-N 3.01Å; D64-A67 VanDerWaalsContact O-N 3.12Å; D64-A67 PolarHBondContact OD1-N 3.49Å; E65-A67 PolarHBondContact O-N 2.76Å; A67-N70 CarbonylContact O-C 3.48Å; A67-N70 PolarHBondContact O-N 3.19Å; A67-R71 PolarHBondContact O-N 2.94Å; A67-R71 VanDerWaalsContact O-N 3.13Å; A67-C72 CarbonylContact C-O 3.59Å; A67-C72 HydrophobicContact CB-CB 4.44Å; A67-C72 PolarHBondContact O-N 3.09Å; A67-C72 VanDerWaalsContact O-O 3.09Å; A67-T74 HydrophobicContact CB-CG2 4.03Å
68	I	96.9	Very high	96.8	Very high	48 Å²	48	56.3 Å²	56.3	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-50.8	176.1	-65.9	166.3	0	0	0	110.7	E62 D64 E65 N70 R71	E62-I68 HydrophobicContact CB-CD1 4.38Å; E62-I68 HydrophobicContact CB-CG1 3.79Å; E62-I68 HydrophobicContact CG-CD1 4.41Å; E62-I68 HydrophobicContact CG-CG1 3.72Å; D64-I68 WeakPolarHBondContact O-CG1 3.19Å; D64-I68 PolarHBondContact O-N 3.48Å; E65-I68 PolarHBondContact O-N 2.88Å; I68-N70 PolarHBondContact O-N 2.88Å; I68-R71 PolarHBondContact O-N 3.31Å
69	E	96.9	Very high	96.7	Very high	157 Å²	157	57.8 Å²	57.8	73%	0.734	29%	0.286	S	S	*	.	H	α-helix	trans	-56.8	-38.5	178.2	-75.5	179.8	177	0	0	112	E65 R71	E65-E69 WeakPolarHBondContact O-CG 3.47Å; E65-E69 PolarHBondContact O-N 2.73Å; E69-R71 VanDerWaalsContact C-N 3.29Å; E69-R71 PolarHBondContact O-N 3.41Å
70	N	96.8	Very high	96.6	Very high	116 Å²	116	58 Å²	58	62%	0.62	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	7.9	178.3	-71.2	-64.2	0	0	0	114.2	A66 A67 I68 C72	A66-N70 WeakPolarHBondContact O-CB 3.32Å; A66-N70 PolarHBondContact O-N 3Å; A66-N70 VanDerWaalsContact O-N 3.1Å; A66-N70 PolarHBondContact O-ND2 3.31Å; A67-N70 CarbonylContact O-C 3.48Å; A67-N70 PolarHBondContact O-N 3.19Å; I68-N70 PolarHBondContact O-N 2.88Å; N70-C72 PolarHBondContact O-N 3.17Å; N70-C72 PolarHBondContact O-SG 3.06Å; N70-C72 VanDerWaalsContact O-SG 3.36Å
71	R	97.6	Very high	96.5	Very high	97 Å²	97	53.1 Å²	53.1	37%	0.366	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	46.9	-176	-59.7	-61.2	179.8	173.1	-0.9	112.4	A33 D59 A67 I68 E69	A33-R71 HydrophobicContact CB-CB 4.38Å; A33-R71 WeakPolarHBondContact CB-O 3.42Å; A33-R71 PolarHBondContact N-O 2.66Å; D59-R71 IonicContact OD1-CZ 3.55Å; D59-R71 IonicContact OD1-NH1 3.88Å; D59-R71 PolarHBondContact OD1-NH1 3.08Å; D59-R71 IonicContact OD2-NH1 2.75Å; D59-R71 PolarHBondContact OD2-NH1 3.34Å; A67-R71 PolarHBondContact O-N 2.94Å; A67-R71 VanDerWaalsContact O-N 3.13Å; I68-R71 PolarHBondContact O-N 3.31Å; E69-R71 VanDerWaalsContact C-N 3.29Å; E69-R71 PolarHBondContact O-N 3.41Å
72	C	97.3	Very high	96.4	Very high	17 Å²	17	51.4 Å²	51.4	12%	0.115	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158.6	179.1	-73.5	0	0	0	0	111	L31 I58 A67 N70	L31-C72 CarbonylContact O-C 3.56Å; L31-C72 WeakPolarHBondContact O-CA 3.41Å; I58-C72 WeakPolarHBondContact CG2-O 3.48Å; A67-C72 CarbonylContact C-O 3.59Å; A67-C72 HydrophobicContact CB-CB 4.44Å; A67-C72 PolarHBondContact O-N 3.09Å; A67-C72 VanDerWaalsContact O-O 3.09Å; N70-C72 PolarHBondContact O-N 3.17Å; N70-C72 PolarHBondContact O-SG 3.06Å; N70-C72 VanDerWaalsContact O-SG 3.36Å
73	M	97.1	Very high	96.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.9	174.6	-167.6	175.4	-80.7	0	0	110.5	T30 L31 L36 L57 I58 E62 G77 F78	T30-M73 CarbonylContact C-O 3.46Å; T30-M73 WeakPolarHBondContact CA-O 3.41Å; L31-M73 HydrophobicContact CB-CB 4.37Å; L31-M73 WeakPolarHBondContact CB-O 3.31Å; L31-M73 PolarHBondContact N-O 3.08Å; L31-M73 PolarHBondContact O-N 3.3Å; L36-M73 HydrophobicContact CD2-CE 3.85Å; L36-M73 HydrophobicContact CD2-SD 4.35Å; L57-M73 HydrophobicContact CB-CE 4.49Å; L57-M73 WeakPolarHBondContact O-CE 3.25Å; I58-M73 HydrophobicContact CB-CE 4.33Å; I58-M73 HydrophobicContact CG1-CB 4.26Å; I58-M73 HydrophobicContact CG1-CE 3.82Å; E62-M73 WeakPolarHBondContact OE2-CA 3.45Å; M73-G77 VanDerWaalsContact SD-C 3.55Å; M73-F78 HydrophobicContact CG-CB 4.31Å; M73-F78 WeakPolarHBondContact SD-CA 3.47Å; M73-F78 HydrophobicContact SD-CB 3.92Å; M73-F78 HydrophobicContact SD-CD2 4.31Å; M73-F78 PolarHBondContact SD-N 2.87Å; M73-F78 VanDerWaalsContact SD-N 3.38Å
74	T	96.5	Very high	96.1	Very high	21 Å²	21	50.5 Å²	50.5	13%	0.129	25%	0.251	C	S	.	.			trans	-69.6	168.9	169.5	65.5	0	0	0	0	110.8	T30 E62 D64 A67 E76 G77 F78	T30-T74 HydrophobicContact CG2-CG2 4.46Å; E62-T74 VanDerWaalsContact CD-OG1 3.29Å; E62-T74 PolarHBondContact OE1-OG1 3.32Å; E62-T74 VanDerWaalsContact OE1-OG1 3.09Å; E62-T74 WeakPolarHBondContact OE2-CB 3.43Å; E62-T74 PolarHBondContact OE2-N 3.14Å; E62-T74 PolarHBondContact OE2-OG1 3.3Å; D64-T74 HydrophobicContact CB-CG2 3.96Å; A67-T74 HydrophobicContact CB-CG2 4.03Å; T74-E76 PolarHBondContact O-N 2.78Å; T74-E76 PolarHBondContact OG1-N 3.39Å; T74-G77 PolarHBondContact O-N 2.78Å; T74-G77 PolarHBondContact OG1-N 3.13Å; T74-G77 VanDerWaalsContact OG1-N 3.09Å; T74-F78 PolarHBondContact O-N 2.77Å
75	F	94.6	Very high	95.9	Very high	10 Å²	10	53.4 Å²	53.4	4%	0.044	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-37.5	172.9	171.3	-103.3	0	0	0	111.5	R13 I17 L18 F21 F78 L79	R13-F75 HydrophobicContact CB-CE1 4.39Å; R13-F75 HydrophobicContact CG-CE1 4.2Å; I17-F75 HydrophobicContact CG2-CE2 4.13Å; L18-F75 HydrophobicContact CB-CD2 4.44Å; L18-F75 HydrophobicContact CB-CE2 3.72Å; L18-F75 HydrophobicContact CB-CZ 3.94Å; L18-F75 HydrophobicContact CD1-CD1 4.4Å; L18-F75 HydrophobicContact CD1-CD2 3.56Å; L18-F75 HydrophobicContact CD1-CE1 4.47Å; L18-F75 HydrophobicContact CD1-CE2 3.71Å; L18-F75 HydrophobicContact CD1-CG 3.93Å; L18-F75 HydrophobicContact CD1-CZ 4.14Å; L18-F75 HydrophobicContact CG-CE2 4.33Å; F21-F75 HydrophobicContact CB-CD2 3.87Å; F21-F75 HydrophobicContact CB-CE2 4.43Å; F21-F75 HydrophobicContact CD1-CB 4.07Å; F21-F75 HydrophobicContact CD1-CD2 4.1Å; F21-F75 HydrophobicContact CD2-CD2 4.41Å; F21-F75 HydrophobicContact CE1-CB 3.92Å; F21-F75 HydrophobicContact CE2-CB 4.36Å; F21-F75 HydrophobicContact CG-CB 4.36Å; F21-F75 AromaticContact CG-CD2 3.89Å; F21-F75 HydrophobicContact CG-CD2 3.89Å; F21-F75 HydrophobicContact CZ-CB 4.06Å; F75-F78 PolarHBondContact O-N 2.71Å; F75-L79 HydrophobicContact CE1-CB 4.42Å; F75-L79 HydrophobicContact CE1-CD2 4.12Å; F75-L79 HydrophobicContact CZ-CB 4.32Å; F75-L79 HydrophobicContact CZ-CD2 4.32Å; F75-L79 WeakPolarHBondContact O-CB 3.48Å; F75-L79 PolarHBondContact O-N 3.19Å
76	E	94	Very high	95.8	Very high	72 Å²	72	47.6 Å²	47.6	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-41	179.4	-72.2	67.9	-162	0	0	111.2	R13 T74 L79 R80	R13-E76 IonicContact CZ-OE1 2.78Å; R13-E76 IonicContact NH1-OE1 3.14Å; R13-E76 PolarHBondContact NH1-OE1 3.36Å; R13-E76 IonicContact NH2-OE1 3.77Å; R13-E76 PolarHBondContact NH2-OE1 3.29Å; T74-E76 PolarHBondContact O-N 2.78Å; T74-E76 PolarHBondContact OG1-N 3.39Å; E76-L79 PolarHBondContact O-N 3.26Å; E76-R80 WeakPolarHBondContact O-CG 3.44Å; E76-R80 PolarHBondContact O-N 2.98Å
77	G	96.1	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-44.2	171	0	0	0	0	0	112.4	Y61 M73 T74 L79 R80 Y81	Y61-G77 WeakPolarHBondContact O-CA 3.25Å; M73-G77 VanDerWaalsContact SD-C 3.55Å; T74-G77 PolarHBondContact O-N 2.78Å; T74-G77 PolarHBondContact OG1-N 3.13Å; T74-G77 VanDerWaalsContact OG1-N 3.09Å; G77-L79 PolarHBondContact O-N 3.35Å; G77-R80 VanDerWaalsContact CA-NH2 3.33Å; G77-R80 PolarHBondContact O-N 3.45Å; G77-Y81 PolarHBondContact O-N 3.42Å
78	F	96.9	Very high	95.8	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-65	-40	177.8	-176.3	-105.4	0	0	0	112.3	I17 L20 F21 L31 L36 F39 M73 T74 F75 Y81 M82	I17-F78 HydrophobicContact CG2-CD1 3.81Å; I17-F78 HydrophobicContact CG2-CE1 3.72Å; L20-F78 HydrophobicContact CB-CE1 4.13Å; L20-F78 HydrophobicContact CB-CZ 4.37Å; F21-F78 HydrophobicContact CB-CD1 3.81Å; F21-F78 HydrophobicContact CB-CE1 4.05Å; F21-F78 HydrophobicContact CD2-CB 3.67Å; F21-F78 AromaticContact CD2-CD1 3.91Å; F21-F78 HydrophobicContact CD2-CD1 3.91Å; F21-F78 AromaticContact CD2-CG 3.79Å; F21-F78 HydrophobicContact CD2-CG 3.79Å; F21-F78 HydrophobicContact CE2-CB 4.08Å; F21-F78 HydrophobicContact CG-CD1 4.33Å; L31-F78 HydrophobicContact CD2-CD2 3.91Å; L31-F78 HydrophobicContact CD2-CE2 4.26Å; L36-F78 HydrophobicContact CD1-CD2 4.46Å; L36-F78 HydrophobicContact CD1-CE2 4.46Å; F39-F78 AromaticContact CD1-CE2 3.98Å; F39-F78 HydrophobicContact CD1-CE2 3.98Å; F39-F78 HydrophobicContact CD1-CZ 4.42Å; F39-F78 HydrophobicContact CD2-CE2 4.41Å; F39-F78 HydrophobicContact CD2-CZ 4.2Å; F39-F78 AromaticContact CE1-CE2 3.79Å; F39-F78 HydrophobicContact CE1-CE2 3.79Å; F39-F78 AromaticContact CE1-CZ 3.98Å; F39-F78 HydrophobicContact CE1-CZ 3.98Å; F39-F78 HydrophobicContact CE2-CE2 4.24Å; F39-F78 AromaticContact CE2-CZ 3.73Å; F39-F78 HydrophobicContact CE2-CZ 3.73Å; F39-F78 HydrophobicContact CG-CE2 4.3Å; F39-F78 AromaticContact CZ-CE2 3.94Å; F39-F78 HydrophobicContact CZ-CE2 3.94Å; F39-F78 AromaticContact CZ-CZ 3.61Å; F39-F78 HydrophobicContact CZ-CZ 3.61Å; M73-F78 HydrophobicContact CG-CB 4.31Å; M73-F78 WeakPolarHBondContact SD-CA 3.47Å; M73-F78 HydrophobicContact SD-CB 3.92Å; M73-F78 HydrophobicContact SD-CD2 4.31Å; M73-F78 PolarHBondContact SD-N 2.87Å; M73-F78 VanDerWaalsContact SD-N 3.38Å; T74-F78 PolarHBondContact O-N 2.77Å; F75-F78 PolarHBondContact O-N 2.71Å; F78-Y81 HydrophobicContact CD2-CD1 4.25Å; F78-Y81 HydrophobicContact CE2-CD1 4.27Å; F78-Y81 WeakPolarHBondContact O-CB 3.45Å; F78-Y81 PolarHBondContact O-N 3.41Å; F78-M82 HydrophobicContact CD1-CG 4.04Å; F78-M82 HydrophobicContact CD2-CG 4.49Å; F78-M82 HydrophobicContact CE1-CG 3.7Å; F78-M82 HydrophobicContact CE1-SD 4.43Å; F78-M82 HydrophobicContact CE2-CG 4.17Å; F78-M82 HydrophobicContact CE2-SD 4.29Å; F78-M82 HydrophobicContact CG-CG 4.44Å; F78-M82 HydrophobicContact CZ-CG 3.77Å; F78-M82 HydrophobicContact CZ-SD 3.95Å; F78-M82 WeakPolarHBondContact O-CB 3.36Å; F78-M82 VanDerWaalsContact O-CG 3.25Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 2.89Å
79	L	94.6	Very high	95.9	Very high	32 Å²	32	43 Å²	43	17%	0.168	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-46.2	174.8	-179.3	62.3	0	0	0	110.9	R14 I17 F75 E76 G77 Y81 M82 E83	R14-L79 HydrophobicContact CB-CD1 4.33Å; R14-L79 HydrophobicContact CG-CD1 4.26Å; I17-L79 HydrophobicContact CB-CD1 4.41Å; I17-L79 HydrophobicContact CD1-CD1 3.7Å; I17-L79 HydrophobicContact CG2-CD1 4.1Å; F75-L79 HydrophobicContact CE1-CB 4.42Å; F75-L79 HydrophobicContact CE1-CD2 4.12Å; F75-L79 HydrophobicContact CZ-CB 4.32Å; F75-L79 HydrophobicContact CZ-CD2 4.32Å; F75-L79 WeakPolarHBondContact O-CB 3.48Å; F75-L79 PolarHBondContact O-N 3.19Å; E76-L79 PolarHBondContact O-N 3.26Å; G77-L79 PolarHBondContact O-N 3.35Å; L79-Y81 VanDerWaalsContact C-N 3.31Å; L79-Y81 PolarHBondContact O-N 3.03Å; L79-M82 PolarHBondContact O-N 2.94Å; L79-M82 VanDerWaalsContact O-N 3.14Å; L79-E83 HydrophobicContact CD1-CG 4.15Å; L79-E83 PolarHBondContact O-N 3.39Å
80	R	95.5	Very high	95.9	Very high	84 Å²	84	35.6 Å²	35.6	32%	0.317	17%	0.167	S	C	.	.	H	α-helix	trans	-57.8	-43	174.7	-75.9	-174.1	-63.9	-94.3	0.5	111.7	Y61 E62 I63 E76 G77 E83 S84	Y61-R80 HydrophobicContact CD1-CB 4.38Å; Y61-R80 VanDerWaalsContact O-CZ 3.25Å; Y61-R80 PolarHBondContact O-NE 2.9Å; Y61-R80 PolarHBondContact O-NH2 3.43Å; E62-R80 IonicContact OE1-NH2 2.98Å; E62-R80 PolarHBondContact OE1-NH2 2.94Å; I63-R80 VanDerWaalsContact CD1-CZ 3.49Å; E76-R80 WeakPolarHBondContact O-CG 3.44Å; E76-R80 PolarHBondContact O-N 2.98Å; G77-R80 VanDerWaalsContact CA-NH2 3.33Å; G77-R80 PolarHBondContact O-N 3.45Å; R80-E83 PolarHBondContact O-N 2.73Å; R80-S84 VanDerWaalsContact O-CB 3.29Å; R80-S84 WeakPolarHBondContact O-CB 3.4Å; R80-S84 PolarHBondContact O-N 3Å
81	Y	97.1	Very high	95.9	Very high	6 Å²	6	31.9 Å²	31.9	2%	0.024	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-47.5	173.5	162.8	-111.7	0	0	0	112.2	F39 L40 L57 Y61 G77 F78 L79 E83 S84 D86 C87	F39-Y81 AromaticContact CE1-CE1 3.94Å; F39-Y81 HydrophobicContact CE1-CE1 3.94Å; L40-Y81 HydrophobicContact CD2-CE1 4.4Å; L40-Y81 WeakPolarHBondContact CD2-OH 3.49Å; L57-Y81 HydrophobicContact CD1-CE2 4.01Å; L57-Y81 HydrophobicContact CD2-CD2 3.68Å; L57-Y81 HydrophobicContact CD2-CE2 3.63Å; L57-Y81 HydrophobicContact CG-CE2 4.46Å; Y61-Y81 AromaticContact CD2-CD2 3.89Å; Y61-Y81 HydrophobicContact CD2-CD2 3.89Å; Y61-Y81 HydrophobicContact CD2-CG 4.28Å; Y61-Y81 AromaticContact CE2-CD2 3.79Å; Y61-Y81 HydrophobicContact CE2-CD2 3.79Å; G77-Y81 PolarHBondContact O-N 3.42Å; F78-Y81 HydrophobicContact CD2-CD1 4.25Å; F78-Y81 HydrophobicContact CE2-CD1 4.27Å; F78-Y81 WeakPolarHBondContact O-CB 3.45Å; F78-Y81 PolarHBondContact O-N 3.41Å; L79-Y81 VanDerWaalsContact C-N 3.31Å; L79-Y81 PolarHBondContact O-N 3.03Å; Y81-E83 VanDerWaalsContact C-N 3.28Å; Y81-E83 PolarHBondContact O-N 3.39Å; Y81-S84 VanDerWaalsContact O-CB 3.25Å; Y81-S84 WeakPolarHBondContact O-CB 3.39Å; Y81-S84 PolarHBondContact O-N 3.14Å; Y81-S84 VanDerWaalsContact O-N 3.08Å; Y81-S84 PolarHBondContact O-OG 3.47Å; Y81-D86 HydrophobicContact CE2-CB 4.24Å; Y81-C87 VanDerWaalsContact CE2-SG 3.59Å; Y81-C87 PolarHBondContact O-SG 2.75Å
82	M	96	Very high	95.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-25.6	-178.4	-71.7	-58.6	-64.3	0	0	113.6	I17 L20 F39 F78 L79 C87 F567	I17-M82 HydrophobicContact CD1-CB 3.98Å; I17-M82 HydrophobicContact CG2-CB 4.15Å; I17-M82 HydrophobicContact CG2-CG 4.01Å; L20-M82 HydrophobicContact CD1-CE 4.41Å; F39-M82 HydrophobicContact CE1-SD 4.04Å; F39-M82 HydrophobicContact CZ-CE 4.28Å; F39-M82 HydrophobicContact CZ-SD 3.76Å; F78-M82 HydrophobicContact CD1-CG 4.04Å; F78-M82 HydrophobicContact CD2-CG 4.49Å; F78-M82 HydrophobicContact CE1-CG 3.7Å; F78-M82 HydrophobicContact CE1-SD 4.43Å; F78-M82 HydrophobicContact CE2-CG 4.17Å; F78-M82 HydrophobicContact CE2-SD 4.29Å; F78-M82 HydrophobicContact CG-CG 4.44Å; F78-M82 HydrophobicContact CZ-CG 3.77Å; F78-M82 HydrophobicContact CZ-SD 3.95Å; F78-M82 WeakPolarHBondContact O-CB 3.36Å; F78-M82 VanDerWaalsContact O-CG 3.25Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 2.89Å; L79-M82 PolarHBondContact O-N 2.94Å; L79-M82 VanDerWaalsContact O-N 3.14Å; M82-C87 WeakPolarHBondContact O-CB 3.34Å; M82-F567 HydrophobicContact CE-CE2 3.77Å; M82-F567 HydrophobicContact CE-CZ 3.7Å
83	E	92.4	Very high	95.6	Very high	94 Å²	94	37.1 Å²	37.1	44%	0.439	18%	0.175	S	C	.	.	H	α-helix	trans	-94.6	-5.3	173.8	-64.7	-174.5	149.6	0	0	113	R14 L79 R80 Y81 W550	R14-E83 IonicContact NH1-OE1 2.98Å; R14-E83 PolarHBondContact NH1-OE1 3.16Å; L79-E83 HydrophobicContact CD1-CG 4.15Å; L79-E83 PolarHBondContact O-N 3.39Å; R80-E83 PolarHBondContact O-N 2.73Å; Y81-E83 VanDerWaalsContact C-N 3.28Å; Y81-E83 PolarHBondContact O-N 3.39Å; E83-W550 PolarHBondContact O-NE1 2.85Å
84	S	94.6	Very high	95.6	Very high	15 Å²	15	38 Å²	38	11%	0.105	18%	0.179	C	C	.	.	S	Bend	trans	-73.4	166.2	-178.9	80.3	0	0	0	0	113.1	Y61 R80 Y81 D86 C87 C88 W550	Y61-S84 VanDerWaalsContact CZ-CB 3.45Å; Y61-S84 VanDerWaalsContact OH-CB 3.3Å; Y61-S84 WeakPolarHBondContact OH-CB 3.42Å; Y61-S84 PolarHBondContact OH-OG 3.2Å; R80-S84 VanDerWaalsContact O-CB 3.29Å; R80-S84 WeakPolarHBondContact O-CB 3.4Å; R80-S84 PolarHBondContact O-N 3Å; Y81-S84 VanDerWaalsContact O-CB 3.25Å; Y81-S84 WeakPolarHBondContact O-CB 3.39Å; Y81-S84 PolarHBondContact O-N 3.14Å; Y81-S84 VanDerWaalsContact O-N 3.08Å; Y81-S84 PolarHBondContact O-OG 3.47Å; S84-D86 PolarHBondContact O-N 3.18Å; S84-D86 VanDerWaalsContact O-N 3.07Å; S84-D86 PolarHBondContact OG-N 2.97Å; S84-C87 PolarHBondContact O-N 2.85Å; S84-C88 PolarHBondContact O-N 2.9Å; S84-W550 PolarHBondContact O-NE1 2.82Å
85	K	92.9	Very high	95.6	Very high	142 Å²	142	42.3 Å²	42.3	62%	0.617	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-58.8	-19.4	173.3	-66.5	-179.7	-178.8	173	0	114	C87 C88	K85-C87 VanDerWaalsContact C-N 3.33Å; K85-C88 VanDerWaalsContact O-CB 3.29Å; K85-C88 WeakPolarHBondContact O-CB 3.12Å; K85-C88 PolarHBondContact O-N 3.08Å
86	D	94.1	Very high	95.7	Very high	30 Å²	30	46.2 Å²	46.2	16%	0.16	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-75	-26.7	177.6	-66.6	-21.2	0	0	0	112.5	R60 Y61 Y81 S84 R92 K545 R549	R60-D86 IonicContact CZ-OD2 3.76Å; R60-D86 IonicContact NH1-OD2 2.93Å; R60-D86 PolarHBondContact NH1-OD2 3.14Å; R60-D86 IonicContact NH2-OD2 3.9Å; R60-D86 PolarHBondContact NH2-OD2 2.82Å; R60-D86 VanDerWaalsContact NH2-OD2 3.12Å; Y61-D86 PolarHBondContact OH-OD2 2.91Å; Y81-D86 HydrophobicContact CE2-CB 4.24Å; S84-D86 PolarHBondContact O-N 3.18Å; S84-D86 VanDerWaalsContact O-N 3.07Å; S84-D86 PolarHBondContact OG-N 2.97Å; D86-R92 IonicContact OD1-NH1 3.35Å; D86-R92 PolarHBondContact OD1-NH1 3.04Å; D86-K545 PolarHBondContact O-NZ 3.05Å; D86-R549 PolarHBondContact O-NH1 3.16Å
87	C	96.8	Very high	95.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-94.8	6.1	173.2	-71.4	0	0	0	0	113	Y81 M82 S84 K85 R549 W550	Y81-C87 VanDerWaalsContact CE2-SG 3.59Å; Y81-C87 PolarHBondContact O-SG 2.75Å; M82-C87 WeakPolarHBondContact O-CB 3.34Å; S84-C87 PolarHBondContact O-N 2.85Å; K85-C87 VanDerWaalsContact C-N 3.33Å; C87-R549 CarbonylContact O-C 3.52Å; C87-R549 WeakPolarHBondContact O-CA 3.28Å; C87-R549 WeakPolarHBondContact O-CB 3.35Å; C87-R549 WeakPolarHBondContact O-CD 3.41Å; C87-W550 VanDerWaalsContact C-CD1 3.43Å; C87-W550 PolarHBondContact O-N 2.95Å
88	C	97.3	Very high	96	Very high	7 Å²	7	50.2 Å²	50.2	5%	0.047	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-64	140.9	170.5	-165.5	0	0	0	0	109.9	S84 K85 F90 W550	S84-C88 PolarHBondContact O-N 2.9Å; K85-C88 VanDerWaalsContact O-CB 3.29Å; K85-C88 WeakPolarHBondContact O-CB 3.12Å; K85-C88 PolarHBondContact O-N 3.08Å; C88-F90 PolarHBondContact O-N 3.47Å; C88-W550 HydrophobicContact CB-CH2 4.5Å; C88-W550 HydrophobicContact CB-CZ2 3.73Å
89	V	98.1	Very high	96.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-63.7	-27.2	-178.6	70.3	0	0	0	0	113.2	Y537 M539 L544 K545 R549 W550 V551 V568	V89-Y537 HydrophobicContact CG1-CD1 4.18Å; V89-Y537 HydrophobicContact CG1-CE1 3.97Å; V89-M539 HydrophobicContact CB-CE 4.2Å; V89-M539 HydrophobicContact CG1-CE 3.44Å; V89-M539 VanDerWaalsContact CG1-CE 3.44Å; V89-M539 HydrophobicContact CG1-SD 4.14Å; V89-M539 HydrophobicContact CG2-CE 3.77Å; V89-L544 HydrophobicContact CG2-CD1 3.45Å; V89-L544 VanDerWaalsContact CG2-CD1 3.45Å; V89-K545 PolarHBondContact O-N 3.25Å; V89-R549 HydrophobicContact CB-CB 3.83Å; V89-R549 HydrophobicContact CG2-CB 4.06Å; V89-W550 WeakPolarHBondContact CB-O 3.39Å; V89-W550 PolarHBondContact N-O 2.67Å; V89-V551 HydrophobicContact CB-CG2 4.04Å; V89-V551 HydrophobicContact CG1-CB 4.09Å; V89-V551 HydrophobicContact CG1-CG1 4.03Å; V89-V551 HydrophobicContact CG1-CG2 3.86Å; V89-V551 HydrophobicContact CG2-CG2 4.27Å; V89-V568 HydrophobicContact CG2-CG2 4.44Å
90	F	98	Very high	96.3	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.009	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-82.4	129.1	178.3	-173	-85.3	0	0	0	110.4	C88 R92 H94 K95 Q416 Y537 M539	C88-F90 PolarHBondContact O-N 3.47Å; F90-R92 PolarHBondContact O-N 2.86Å; F90-H94 HydrophobicContact CE1-CB 3.96Å; F90-H94 HydrophobicContact CZ-CB 4.1Å; F90-K95 HydrophobicContact CD1-CG 4.03Å; F90-K95 HydrophobicContact CE1-CG 3.75Å; F90-Q416 HydrophobicContact CE2-CG 3.77Å; F90-Q416 HydrophobicContact CZ-CG 4.17Å; F90-Y537 HydrophobicContact CB-CE1 4.3Å; F90-Y537 WeakPolarHBondContact CB-OH 3.48Å; F90-M539 HydrophobicContact CB-SD 4.21Å; F90-M539 HydrophobicContact CD2-CB 3.7Å; F90-M539 HydrophobicContact CD2-CG 4.41Å; F90-M539 HydrophobicContact CD2-SD 3.98Å; F90-M539 HydrophobicContact CE2-CB 4.01Å
91	N	96.6	Very high	96.4	Very high	39 Å²	39	49.7 Å²	49.7	21%	0.209	24%	0.242	C	C	.	.			trans	-61.7	109.1	178	-174.3	-0.6	0	0	0	111	T93 H94 S543 K545	N91-T93 PolarHBondContact ND2-OG1 2.86Å; N91-T93 PolarHBondContact O-N 3.17Å; N91-T93 PolarHBondContact OD1-N 2.8Å; N91-T93 PolarHBondContact OD1-OG1 2.81Å; N91-H94 PolarHBondContact ND2-CD2 2.89Å; N91-H94 PolarHBondContact ND2-NE2 3.09Å; N91-H94 VanDerWaalsContact ND2-NE2 3.13Å; N91-H94 WeakPolarHBondContact O-CB 3.46Å; N91-H94 PolarHBondContact O-N 2.81Å; N91-S543 WeakPolarHBondContact CB-O 3.37Å; N91-S543 PolarHBondContact N-O 2.86Å; N91-K545 HydrophobicContact CB-CG 3.99Å
92	R	93.6	Very high	96.4	Very high	134 Å²	134	54.2 Å²	54.2	51%	0.506	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-61.3	-28.5	-176.6	-173.5	177.1	175.2	-171.3	-3.7	113.3	D86 F90 H94 K95	D86-R92 IonicContact OD1-NH1 3.35Å; D86-R92 PolarHBondContact OD1-NH1 3.04Å; F90-R92 PolarHBondContact O-N 2.86Å; R92-H94 PolarHBondContact O-N 2.91Å; R92-K95 VanDerWaalsContact O-CB 3.31Å; R92-K95 WeakPolarHBondContact O-CB 3.3Å; R92-K95 PolarHBondContact O-N 3.15Å
93	T	94.8	Very high	96.3	Very high	89 Å²	89	57.4 Å²	57.4	55%	0.546	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-62.8	-22.6	176	61.4	0	0	0	0	112.3	N91 K95 T96	N91-T93 PolarHBondContact ND2-OG1 2.86Å; N91-T93 PolarHBondContact O-N 3.17Å; N91-T93 PolarHBondContact OD1-N 2.8Å; N91-T93 PolarHBondContact OD1-OG1 2.81Å; T93-K95 VanDerWaalsContact C-N 3.3Å; T93-T96 PolarHBondContact O-OG1 3.22Å
94	H	97.9	Very high	96.5	Very high	20 Å²	20	54.2 Å²	54.2	9%	0.093	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-85.4	-0.4	176	-60.9	-172.3	0	0	0	113.2	F90 N91 R92 Y98 D417 N418 G419 T542 S543	F90-H94 HydrophobicContact CE1-CB 3.96Å; F90-H94 HydrophobicContact CZ-CB 4.1Å; N91-H94 PolarHBondContact ND2-CD2 2.89Å; N91-H94 PolarHBondContact ND2-NE2 3.09Å; N91-H94 VanDerWaalsContact ND2-NE2 3.13Å; N91-H94 WeakPolarHBondContact O-CB 3.46Å; N91-H94 PolarHBondContact O-N 2.81Å; R92-H94 PolarHBondContact O-N 2.91Å; H94-Y98 HydrophobicContact CB-CD1 4.08Å; H94-Y98 HydrophobicContact CB-CE1 3.54Å; H94-Y98 AromaticContact CD2-CD1 3.98Å; H94-Y98 AromaticContact CD2-CE1 3.63Å; H94-Y98 AromaticContact CD2-CE2 3.84Å; H94-Y98 AromaticContact CD2-CZ 3.56Å; H94-Y98 AromaticContact CE1-CZ 3.76Å; H94-Y98 PolarHBondContact CE1-OH 3.27Å; H94-Y98 AromaticContact CG-CE1 3.44Å; H94-Y98 VanDerWaalsContact CG-CE1 3.44Å; H94-Y98 AromaticContact CG-CZ 3.56Å; H94-Y98 AromaticContact ND1-CE1 3.97Å; H94-Y98 AromaticContact ND1-CZ 3.68Å; H94-Y98 PolarHBondContact ND1-OH 3.3Å; H94-Y98 AromaticContact NE2-CE2 3.8Å; H94-Y98 AromaticContact NE2-CZ 3.74Å; H94-D417 WeakPolarHBondContact CB-OD1 3.16Å; H94-D417 IonicContact CG-OD1 2.75Å; H94-D417 IonicContact ND1-OD1 3.61Å; H94-N418 PolarHBondContact O-N 3.3Å; H94-G419 PolarHBondContact O-N 2.86Å; H94-T542 PolarHBondContact CE1-O 3.23Å; H94-S543 PolarHBondContact ND1-OG 3.38Å
95	K	95.9	Very high	96.6	Very high	111 Å²	111	53.5 Å²	53.5	48%	0.483	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-82.2	0.9	172.2	-65.7	-164.2	175.7	-168.7	0	113.6	F90 R92 T93 G419	F90-K95 HydrophobicContact CD1-CG 4.03Å; F90-K95 HydrophobicContact CE1-CG 3.75Å; R92-K95 VanDerWaalsContact O-CB 3.31Å; R92-K95 WeakPolarHBondContact O-CB 3.3Å; R92-K95 PolarHBondContact O-N 3.15Å; T93-K95 VanDerWaalsContact C-N 3.3Å; K95-G419 VanDerWaalsContact C-CA 3.42Å; K95-G419 WeakPolarHBondContact O-CA 3.3Å
96	T	97.1	Very high	96.8	Very high	92 Å²	92	47 Å²	47	56%	0.564	24%	0.237	S	C	*	.	S	Bend	trans	-120.2	160.7	165.2	49.9	0	0	0	0	108.6	T93 Y98 N418 G419	T93-T96 PolarHBondContact O-OG1 3.22Å; T96-Y98 WeakPolarHBondContact O-CD1 3.12Å; T96-Y98 PolarHBondContact O-N 2.86Å; T96-N418 CarbonylContact O-C 3.4Å; T96-G419 PolarHBondContact O-N 2.62Å; T96-G419 VanDerWaalsContact O-N 3.14Å
97	V	98.4	Very high	97	Very high	64 Å²	64	45.9 Å²	45.9	39%	0.388	23%	0.231	S	C	.	.			trans	-61.3	124.3	172.9	-178.9	0	0	0	0	108.4	M101 Y186 N418 C421	V97-M101 HydrophobicContact CG1-CG 3.62Å; V97-M101 HydrophobicContact CG1-SD 4.2Å; V97-Y186 HydrophobicContact CG1-CE2 4.39Å; V97-Y186 HydrophobicContact CG2-CE2 3.92Å; V97-N418 WeakPolarHBondContact CA-OD1 3.31Å; V97-C421 HydrophobicContact CG2-CB 3.89Å
98	Y	98.2	Very high	97.1	Very high	91 Å²	91	45.9 Å²	45.9	36%	0.357	23%	0.231	S	C	.	.			trans	-137.7	-12.7	-177.3	74.6	-84.3	0	0	0	113.4	H94 T96 D417 N418	H94-Y98 HydrophobicContact CB-CD1 4.08Å; H94-Y98 HydrophobicContact CB-CE1 3.54Å; H94-Y98 AromaticContact CD2-CD1 3.98Å; H94-Y98 AromaticContact CD2-CE1 3.63Å; H94-Y98 AromaticContact CD2-CE2 3.84Å; H94-Y98 AromaticContact CD2-CZ 3.56Å; H94-Y98 AromaticContact CE1-CZ 3.76Å; H94-Y98 PolarHBondContact CE1-OH 3.27Å; H94-Y98 AromaticContact CG-CE1 3.44Å; H94-Y98 VanDerWaalsContact CG-CE1 3.44Å; H94-Y98 AromaticContact CG-CZ 3.56Å; H94-Y98 AromaticContact ND1-CE1 3.97Å; H94-Y98 AromaticContact ND1-CZ 3.68Å; H94-Y98 PolarHBondContact ND1-OH 3.3Å; H94-Y98 AromaticContact NE2-CE2 3.8Å; H94-Y98 AromaticContact NE2-CZ 3.74Å; T96-Y98 WeakPolarHBondContact O-CD1 3.12Å; T96-Y98 PolarHBondContact O-N 2.86Å; Y98-D417 WeakPolarHBondContact CE1-OD1 3.49Å; Y98-D417 PolarHBondContact OH-OD1 3.27Å; Y98-D417 PolarHBondContact OH-OD2 3Å; Y98-N418 HydrophobicContact CD1-CB 4.5Å; Y98-N418 HydrophobicContact CE1-CB 4.17Å; Y98-N418 PolarHBondContact N-OD1 3.33Å
99	Q	98.4	Very high	97.2	Very high	34 Å²	34	45.6 Å²	45.6	16%	0.159	23%	0.229	C	C	.	.	S	Bend	trans	-82.4	163.2	179.1	-61.8	177.1	-12.4	0	0	110.2	M101 D417 N418 L425	Q99-M101 HydrophobicContact CB-SD 4.32Å; Q99-M101 WeakPolarHBondContact O-CG 3.26Å; Q99-M101 PolarHBondContact O-N 2.84Å; Q99-D417 PolarHBondContact NE2-OD2 2.71Å; Q99-N418 WeakPolarHBondContact CB-OD1 3.4Å; Q99-N418 HydrophobicContact CG-CB 4.13Å; Q99-N418 PolarHBondContact N-OD1 3.26Å; Q99-N418 PolarHBondContact OE1-ND2 3.03Å; Q99-L425 HydrophobicContact CB-CB 4.18Å
100	D	98	Very high	97.2	Very high	66 Å²	66	45.7 Å²	45.7	35%	0.353	23%	0.23	S	C	.	.			trans	-65.2	120.3	170.1	177.3	-0.7	0	0	0	109.3	D102 Q103 Y108 L425	D100-D102 WeakPolarHBondContact OD1-CB 3.35Å; D100-D102 PolarHBondContact OD1-N 2.76Å; D100-Q103 WeakPolarHBondContact OD2-CG 3.43Å; D100-Q103 PolarHBondContact OD2-NE2 3.44Å; D100-Y108 VanDerWaalsContact O-CE1 3.28Å; D100-Y108 WeakPolarHBondContact O-CE1 3.3Å; D100-Y108 PolarHBondContact O-OH 2.96Å; D100-L425 HydrophobicContact CB-CD2 4.19Å
101	M	98.2	Very high	97.2	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.03	23%	0.229	C	C	.	.			trans	-108.9	11.8	-177.1	-56.9	-52.3	-67.4	0	0	112.8	V97 Q99 Y108 Y186 S231 P232 N233 N418	V97-M101 HydrophobicContact CG1-CG 3.62Å; V97-M101 HydrophobicContact CG1-SD 4.2Å; Q99-M101 HydrophobicContact CB-SD 4.32Å; Q99-M101 WeakPolarHBondContact O-CG 3.26Å; Q99-M101 PolarHBondContact O-N 2.84Å; M101-Y108 VanDerWaalsContact C-OH 3.24Å; M101-Y108 WeakPolarHBondContact CA-OH 3.37Å; M101-Y108 HydrophobicContact CE-CD1 4.39Å; M101-Y108 HydrophobicContact CE-CE1 3.99Å; M101-Y108 HydrophobicContact SD-CE1 3.8Å; M101-Y186 HydrophobicContact CB-CE1 4.16Å; M101-Y186 HydrophobicContact CE-CD1 4.28Å; M101-Y186 HydrophobicContact CE-CD2 4.26Å; M101-Y186 HydrophobicContact CE-CE1 3.89Å; M101-Y186 HydrophobicContact CE-CE2 3.86Å; M101-Y186 HydrophobicContact CE-CG 4.46Å; M101-Y186 HydrophobicContact CG-CE1 4.4Å; M101-Y186 WeakPolarHBondContact CG-OH 3.26Å; M101-S231 WeakPolarHBondContact O-CB 3.45Å; M101-P232 HydrophobicContact CE-CB 3.9Å; M101-P232 HydrophobicContact CE-CG 4.09Å; M101-P232 WeakPolarHBondContact O-CD 3.24Å; M101-N233 WeakPolarHBondContact CB-OD1 3.28Å; M101-N233 WeakPolarHBondContact O-CB 3.44Å; M101-N233 PolarHBondContact O-N 3.39Å; M101-N233 VanDerWaalsContact O-N 3.11Å; M101-N418 PolarHBondContact SD-ND2 3.42Å
102	D	96.1	Very high	97.4	Very high	101 Å²	101	43.7 Å²	43.7	54%	0.54	22%	0.219	S	C	.	.			trans	-106.8	3.7	-178	-62	-59.9	0	0	0	112.9	D100 Y108 S231 N233	D100-D102 WeakPolarHBondContact OD1-CB 3.35Å; D100-D102 PolarHBondContact OD1-N 2.76Å; D102-Y108 PolarHBondContact N-OH 3.27Å; D102-S231 VanDerWaalsContact CA-CB 3.49Å; D102-S231 WeakPolarHBondContact O-CB 3.41Å; D102-N233 VanDerWaalsContact CG-ND2 3.26Å; D102-N233 VanDerWaalsContact OD1-CB 3.32Å; D102-N233 WeakPolarHBondContact OD1-CB 3.29Å; D102-N233 PolarHBondContact OD1-ND2 2.66Å; D102-N233 PolarHBondContact OD2-ND2 2.68Å
103	Q	95.8	Very high	97.6	Very high	69 Å²	69	37.4 Å²	37.4	32%	0.322	20%	0.195	S	C	.	.	S	Bend	trans	-77.1	159.3	172.4	-59.4	-65.6	-36.1	0	0	110.9	D100 Y108 S231 P232 L425	D100-Q103 WeakPolarHBondContact OD2-CG 3.43Å; D100-Q103 PolarHBondContact OD2-NE2 3.44Å; Q103-Y108 HydrophobicContact CB-CE2 3.82Å; Q103-Y108 WeakPolarHBondContact CB-OH 3.28Å; Q103-Y108 PolarHBondContact N-OH 3.1Å; Q103-Y108 VanDerWaalsContact N-OH 3.1Å; Q103-Y108 VanDerWaalsContact O-CE2 3.28Å; Q103-Y108 WeakPolarHBondContact O-CE2 3.32Å; Q103-S231 WeakPolarHBondContact O-CA 3.45Å; Q103-S231 WeakPolarHBondContact O-CB 3.43Å; Q103-P232 WeakPolarHBondContact O-CD 3.4Å; Q103-L425 HydrophobicContact CB-CD1 4.24Å; Q103-L425 HydrophobicContact CG-CD1 4.02Å
104	P	95.8	Very high	97.8	Very high	26 Å²	26	34 Å²	34	17%	0.169	17%	0.173	C	C	.	.			trans	-55.8	149.5	173.8	-28	36.3	0	0	0	113	T106 S107 Y108 D228 L229	P104-T106 PolarHBondContact O-N 2.96Å; P104-S107 WeakPolarHBondContact O-CB 3.44Å; P104-S107 PolarHBondContact O-N 2.6Å; P104-S107 PolarHBondContact O-OG 3.42Å; P104-Y108 WeakPolarHBondContact O-CD2 3.07Å; P104-Y108 WeakPolarHBondContact O-CE2 3.35Å; P104-D228 HydrophobicContact CB-CB 4.2Å; P104-D228 HydrophobicContact CG-CB 3.8Å; P104-L229 WeakPolarHBondContact CA-O 3.38Å; P104-L229 HydrophobicContact CB-CB 4.43Å; P104-L229 WeakPolarHBondContact CB-O 3.21Å
105	L	97.3	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-50	-30.5	176.2	-75.3	-177.3	0	0	0	113.9	S107 Y108 P187 L229 P230 P232 L235 L369 Y423	L105-S107 PolarHBondContact O-N 3.19Å; L105-Y108 PolarHBondContact O-N 3.06Å; L105-P187 HydrophobicContact CD2-CG 4.37Å; L105-L229 HydrophobicContact CB-CB 4.18Å; L105-L229 HydrophobicContact CB-CD1 4.02Å; L105-P230 WeakPolarHBondContact CG-O 3.43Å; L105-P230 PolarHBondContact N-O 2.67Å; L105-P232 HydrophobicContact CD2-CG 4.12Å; L105-L235 HydrophobicContact CD1-CD1 3.79Å; L105-L235 HydrophobicContact CD2-CD1 4.39Å; L105-L235 HydrophobicContact CG-CD1 4.16Å; L105-L369 HydrophobicContact CB-CD2 4.5Å; L105-Y423 HydrophobicContact CD2-CE1 3.8Å
106	T	97	Very high	97.9	Very high	6 Å²	6	28.2 Å²	28.2	4%	0.037	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-62.9	-18	176.4	50.3	0	0	0	0	113.3	P104 Y108 L229 Q366 L369 Q395 K426	P104-T106 PolarHBondContact O-N 2.96Å; T106-Y108 VanDerWaalsContact C-N 3.34Å; T106-L229 HydrophobicContact CG2-CD1 3.63Å; T106-L229 HydrophobicContact CG2-CG 4.5Å; T106-Q366 PolarHBondContact OG1-O 3.13Å; T106-L369 HydrophobicContact CG2-CD2 4.23Å; T106-L369 HydrophobicContact CG2-CG 4.23Å; T106-Q395 PolarHBondContact O-NE2 3.24Å; T106-Q395 VanDerWaalsContact O-NE2 3.11Å; T106-K426 WeakPolarHBondContact O-CE 3.46Å; T106-K426 PolarHBondContact O-NZ 2.93Å
107	S	97.8	Very high	97.9	Very high	7 Å²	7	23.9 Å²	23.9	5%	0.049	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-84.1	-2.2	-178.7	-59.9	0	0	0	0	114.3	P104 L105 K426 M431	P104-S107 WeakPolarHBondContact O-CB 3.44Å; P104-S107 PolarHBondContact O-N 2.6Å; P104-S107 PolarHBondContact O-OG 3.42Å; L105-S107 PolarHBondContact O-N 3.19Å; S107-K426 VanDerWaalsContact O-CB 3.26Å; S107-K426 WeakPolarHBondContact O-CB 3.18Å; S107-K426 WeakPolarHBondContact O-CG 3.34Å; S107-K426 PolarHBondContact O-N 3Å; S107-M431 VanDerWaalsContact OG-CE 3.24Å; S107-M431 WeakPolarHBondContact OG-CE 3.11Å
108	Y	98.7	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.5	-176.7	-57.6	-96.1	0	0	0	111.7	D100 M101 D102 Q103 P104 L105 T106 P232 Q395 Y423 V424 L425	D100-Y108 VanDerWaalsContact O-CE1 3.28Å; D100-Y108 WeakPolarHBondContact O-CE1 3.3Å; D100-Y108 PolarHBondContact O-OH 2.96Å; M101-Y108 VanDerWaalsContact C-OH 3.24Å; M101-Y108 WeakPolarHBondContact CA-OH 3.37Å; M101-Y108 HydrophobicContact CE-CD1 4.39Å; M101-Y108 HydrophobicContact CE-CE1 3.99Å; M101-Y108 HydrophobicContact SD-CE1 3.8Å; D102-Y108 PolarHBondContact N-OH 3.27Å; Q103-Y108 HydrophobicContact CB-CE2 3.82Å; Q103-Y108 WeakPolarHBondContact CB-OH 3.28Å; Q103-Y108 PolarHBondContact N-OH 3.1Å; Q103-Y108 VanDerWaalsContact N-OH 3.1Å; Q103-Y108 VanDerWaalsContact O-CE2 3.28Å; Q103-Y108 WeakPolarHBondContact O-CE2 3.32Å; P104-Y108 WeakPolarHBondContact O-CD2 3.07Å; P104-Y108 WeakPolarHBondContact O-CE2 3.35Å; L105-Y108 PolarHBondContact O-N 3.06Å; T106-Y108 VanDerWaalsContact C-N 3.34Å; Y108-P232 HydrophobicContact CD1-CG 4.35Å; Y108-P232 HydrophobicContact CD2-CG 3.81Å; Y108-P232 HydrophobicContact CE1-CG 4.15Å; Y108-P232 VanDerWaalsContact CE2-CD 3.45Å; Y108-P232 HydrophobicContact CE2-CG 3.59Å; Y108-P232 HydrophobicContact CG-CG 4.22Å; Y108-Q395 VanDerWaalsContact O-CB 3.26Å; Y108-Q395 WeakPolarHBondContact O-CB 3.18Å; Y108-Q395 WeakPolarHBondContact O-CG 3.19Å; Y108-Y423 HydrophobicContact CG-CD1 4.3Å; Y108-V424 CarbonylContact C-O 3.58Å; Y108-V424 WeakPolarHBondContact CA-O 3.28Å; Y108-L425 HydrophobicContact CD1-CB 4.12Å; Y108-L425 HydrophobicContact CD1-CD1 4.18Å; Y108-L425 HydrophobicContact CE1-CB 3.98Å; Y108-L425 HydrophobicContact CE1-CD1 3.7Å; Y108-L425 HydrophobicContact CE1-CG 4.44Å; Y108-L425 HydrophobicContact CE2-CD1 4.35Å
109	F	98.9	Very high	97.6	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138	152.9	-58.5	-55.5	0	0	0	108.7	W390 A394 F415 Y423 V424 K426 L430	F109-W390 HydrophobicContact CD1-CB 4.39Å; F109-W390 AromaticContact CD1-CD1 3.53Å; F109-W390 HydrophobicContact CD1-CG 4.17Å; F109-W390 HydrophobicContact CE1-CB 3.83Å; F109-W390 AromaticContact CE1-CD1 3.82Å; F109-W390 HydrophobicContact CE1-CG 4.11Å; F109-W390 HydrophobicContact CZ-CB 3.97Å; F109-W390 WeakPolarHBondContact CZ-O 3.36Å; F109-A394 WeakPolarHBondContact CD1-O 3.44Å; F109-F415 HydrophobicContact CB-CE1 4.21Å; F109-F415 HydrophobicContact CB-CZ 4.14Å; F109-Y423 WeakPolarHBondContact O-CA 3.48Å; F109-V424 HydrophobicContact CB-CB 4.5Å; F109-V424 PolarHBondContact N-O 3.38Å; F109-V424 PolarHBondContact O-N 3.48Å; F109-K426 HydrophobicContact CD1-CG 4.19Å; F109-K426 HydrophobicContact CD2-CG 4.31Å; F109-K426 HydrophobicContact CE1-CG 3.98Å; F109-K426 HydrophobicContact CE2-CG 4.11Å; F109-K426 HydrophobicContact CG-CG 4.37Å; F109-K426 HydrophobicContact CZ-CG 3.95Å; F109-L430 HydrophobicContact CE1-CD1 4.34Å; F109-L430 HydrophobicContact CZ-CD1 3.73Å
110	I	98.9	Very high	97.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.6	-172.7	-52.4	175	0	0	0	108.8	T112 R141 L369 Q395 L396 F415 Y423	I110-T112 PolarHBondContact O-N 2.88Å; I110-T112 PolarHBondContact O-OG1 3.14Å; I110-R141 HydrophobicContact CG2-CB 3.85Å; I110-L369 HydrophobicContact CD1-CD2 4.21Å; I110-Q395 HydrophobicContact CD1-CB 4.26Å; I110-Q395 HydrophobicContact CG1-CB 4.33Å; I110-Q395 PolarHBondContact N-O 3.25Å; I110-Q395 VanDerWaalsContact O-O 3.12Å; I110-L396 HydrophobicContact CB-CD2 3.88Å; I110-L396 HydrophobicContact CD1-CD2 4.01Å; I110-L396 HydrophobicContact CG1-CD2 4.5Å; I110-L396 HydrophobicContact CG2-CD2 3.94Å; I110-F415 VanDerWaalsContact C-CZ 3.41Å; I110-Y423 HydrophobicContact CB-CE1 4.28Å; I110-Y423 HydrophobicContact CD1-CD1 4.29Å; I110-Y423 HydrophobicContact CD1-CE1 3.69Å; I110-Y423 HydrophobicContact CG1-CD1 3.77Å; I110-Y423 HydrophobicContact CG1-CE1 3.59Å; I110-Y423 HydrophobicContact CG2-CD1 4.41Å; I110-Y423 HydrophobicContact CG2-CE1 3.82Å
111	S	98.9	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.			trans	-62.3	118.9	-179.7	-172.9	0	0	0	0	109.9	Q139 C140 R141 C142 F415 G422	S111-Q139 WeakPolarHBondContact CB-O 3.43Å; S111-C140 PolarHBondContact O-SG 2.88Å; S111-C140 VanDerWaalsContact O-SG 3.4Å; S111-C140 WeakPolarHBondContact OG-CA 3.44Å; S111-R141 PolarHBondContact O-N 3.01Å; S111-C142 PolarHBondContact O-N 2.94Å; S111-F415 VanDerWaalsContact CA-CZ 3.47Å; S111-F415 VanDerWaalsContact N-CE1 3.26Å; S111-G422 PolarHBondContact N-O 2.7Å
112	T	98.9	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129	-166	-57.7	0	0	0	0	111.6	I110 C142 L396 A398 L399 F401	I110-T112 PolarHBondContact O-N 2.88Å; I110-T112 PolarHBondContact O-OG1 3.14Å; T112-C142 WeakPolarHBondContact CA-O 3.47Å; T112-C142 HydrophobicContact CG2-CB 3.78Å; T112-L396 HydrophobicContact CG2-CB 4.31Å; T112-L396 WeakPolarHBondContact OG1-CA 3.23Å; T112-L396 WeakPolarHBondContact OG1-CD2 3.28Å; T112-A398 HydrophobicContact CG2-CB 3.56Å; T112-A398 WeakPolarHBondContact O-CA 3.47Å; T112-L399 PolarHBondContact O-N 3.25Å; T112-L399 VanDerWaalsContact O-N 3.09Å; T112-F401 WeakPolarHBondContact O-CE2 3.24Å
113	S	98.8	Very high	96.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	153.9	174.1	53.9	0	0	0	0	112.3	T116 C140 C142 L399	S113-T116 WeakPolarHBondContact CB-OG1 3.37Å; S113-T116 WeakPolarHBondContact OG-CG2 3.29Å; S113-T116 PolarHBondContact OG-OG1 2.98Å; S113-C140 PolarHBondContact N-SG 3.01Å; S113-C140 VanDerWaalsContact N-SG 3.37Å; S113-C142 PolarHBondContact N-O 3.37Å; S113-C142 PolarHBondContact OG-O 3.06Å; S113-L399 CarbonylContact C-O 3.32Å; S113-L399 WeakPolarHBondContact CA-O 3.31Å
114	H	98.6	Very high	95.6	Very high	18 Å²	18	17.2 Å²	17.2	8%	0.083	11%	0.105	C	C	.	.	S	Bend	trans	-114.9	139.2	174.2	174.1	-100.5	0	0	0	109.6	T116 E144 P374 A398 L399 N400	H114-T116 VanDerWaalsContact C-N 3.28Å; H114-T116 PolarHBondContact O-N 3.18Å; H114-E144 VanDerWaalsContact CA-OE2 3.31Å; H114-E144 WeakPolarHBondContact CA-OE2 3.29Å; H114-E144 IonicContact CD2-OE2 3.33Å; H114-E144 PolarHBondContact CD2-OE2 3Å; H114-E144 IonicContact CG-OE2 3.11Å; H114-E144 IonicContact NE2-OE2 3.21Å; H114-P374 HydrophobicContact CB-CG 4.23Å; H114-P374 VanDerWaalsContact CG-CD 3.43Å; H114-A398 HydrophobicContact CB-CB 3.92Å; H114-L399 PolarHBondContact N-O 2.92Å; H114-N400 PolarHBondContact ND1-OD1 3.21Å
115	N	98.1	Very high	95.2	Very high	5 Å²	5	16.2 Å²	16.2	3%	0.027	10%	0.099	C	C	.	.	S	Bend	trans	39.2	59.4	-176.4	-71	-5.1	0	0	0	111.7	Y117 L118 Q122 E144	N115-Y117 HydrophobicContact CB-CE1 4.07Å; N115-Y117 PolarHBondContact O-N 3.34Å; N115-Y117 VanDerWaalsContact O-N 3.09Å; N115-L118 HydrophobicContact CB-CD1 3.8Å; N115-L118 HydrophobicContact CB-CG 4.28Å; N115-L118 WeakPolarHBondContact O-CB 3.34Å; N115-L118 PolarHBondContact O-N 2.98Å; N115-Q122 PolarHBondContact ND2-OE1 3.02Å; N115-E144 PolarHBondContact N-OE2 3.26Å; N115-E144 PolarHBondContact OD1-OE2 3.38Å
116	T	98.4	Very high	95.1	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.031	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.7	-161.6	-53.8	0	0	0	0	112.4	S113 H114 L118 A131 Y132 P135 L143 E144	S113-T116 WeakPolarHBondContact CB-OG1 3.37Å; S113-T116 WeakPolarHBondContact OG-CG2 3.29Å; S113-T116 PolarHBondContact OG-OG1 2.98Å; H114-T116 VanDerWaalsContact C-N 3.28Å; H114-T116 PolarHBondContact O-N 3.18Å; T116-L118 PolarHBondContact O-N 3.07Å; T116-A131 WeakPolarHBondContact CG2-O 3.44Å; T116-A131 CarbonylContact O-C 3.53Å; T116-A131 WeakPolarHBondContact O-CB 3.26Å; T116-Y132 HydrophobicContact CG2-CD1 3.51Å; T116-Y132 HydrophobicContact CG2-CE1 3.7Å; T116-Y132 HydrophobicContact CG2-CG 4.2Å; T116-P135 HydrophobicContact CG2-CG 4.18Å; T116-L143 HydrophobicContact CG2-CB 4.39Å; T116-L143 HydrophobicContact CG2-CD2 3.9Å; T116-E144 WeakPolarHBondContact CB-O 3.49Å; T116-E144 PolarHBondContact OG1-N 2.66Å
117	Y	97.8	Very high	95.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.9	176.5	49.6	-88.6	0	0	0	114	N115 S127 H128 A131 Y132 D146 V157 Y158 H159	N115-Y117 HydrophobicContact CB-CE1 4.07Å; N115-Y117 PolarHBondContact O-N 3.34Å; N115-Y117 VanDerWaalsContact O-N 3.09Å; Y117-S127 WeakPolarHBondContact CD2-OG 3.17Å; Y117-S127 CarbonylContact O-C 3.5Å; Y117-S127 WeakPolarHBondContact O-CA 3.24Å; Y117-H128 PolarHBondContact O-N 3.46Å; Y117-A131 WeakPolarHBondContact O-CB 3.19Å; Y117-Y132 WeakPolarHBondContact CB-OH 3.4Å; Y117-D146 HydrophobicContact CE1-CB 3.66Å; Y117-D146 VanDerWaalsContact OH-CG 3.23Å; Y117-D146 PolarHBondContact OH-OD2 2.93Å; Y117-V157 HydrophobicContact CD1-CG1 3.56Å; Y117-V157 HydrophobicContact CD2-CG1 4.43Å; Y117-V157 HydrophobicContact CE1-CG1 4.23Å; Y117-V157 HydrophobicContact CG-CG1 3.69Å; Y117-Y158 VanDerWaalsContact CE2-C 3.48Å; Y117-H159 HydrophobicContact CE2-CB 4.03Å; Y117-H159 WeakPolarHBondContact OH-CA 3.38Å; Y117-H159 WeakPolarHBondContact OH-CB 3.39Å; Y117-H159 PolarHBondContact OH-N 2.73Å
118	L	96.4	Very high	95.1	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-85.2	130.1	-173.7	-65	176.2	0	0	0	113.6	N115 T116 T164	N115-L118 HydrophobicContact CB-CD1 3.8Å; N115-L118 HydrophobicContact CB-CG 4.28Å; N115-L118 WeakPolarHBondContact O-CB 3.34Å; N115-L118 PolarHBondContact O-N 2.98Å; T116-L118 PolarHBondContact O-N 3.07Å; L118-T164 HydrophobicContact CD2-CG2 3.7Å
119	T	93.9	Very high	95.1	Very high	68 Å²	68	26 Å²	26	42%	0.417	14%	0.143	S	C	.	.	S	Bend	trans	-96.4	-2.6	170.4	65.8	0	0	0	0	113.6	K126 H128 A131	T119-K126 PolarHBondContact N-O 2.77Å; T119-K126 PolarHBondContact OG1-O 3.06Å; T119-H128 HydrophobicContact CG2-CB 3.66Å; T119-A131 HydrophobicContact CG2-CB 3.81Å
120	G	91.1	Very high	95	Very high	25 Å²	25	30.5 Å²	30.5	26%	0.258	17%	0.167	S	C	.	.	S	Bend	trans	-142.7	-144.1	-174.7	0	0	0	0	0	113.6	S381 Q402	G120-S381 WeakPolarHBondContact O-CB 3.17Å; G120-S381 PolarHBondContact O-OG 2.88Å; G120-Q402 PolarHBondContact O-NE2 2.65Å
121	D	92	Very high	94.9	Very high	51 Å²	51	31 Å²	31	27%	0.273	17%	0.171	S	C	.	.			trans	-71	169.6	176.3	71	89.5	0	0	0	112.4	L123 V124 G125 T379 S381	D121-L123 WeakPolarHBondContact OD1-CA 3.38Å; D121-L123 PolarHBondContact OD1-N 3.38Å; D121-V124 WeakPolarHBondContact OD1-CG2 3.19Å; D121-V124 PolarHBondContact OD1-N 2.7Å; D121-V124 WeakPolarHBondContact OD2-CG2 3.45Å; D121-G125 WeakPolarHBondContact O-CA 3.47Å; D121-G125 PolarHBondContact O-N 3.39Å; D121-G125 PolarHBondContact OD1-N 2.82Å; D121-G125 PolarHBondContact OD2-N 3.43Å; D121-T379 WeakPolarHBondContact CB-O 3.03Å; D121-S381 WeakPolarHBondContact CA-OG 3.15Å
122	Q	89.9	Confident	94.9	Very high	12 Å²	12	31 Å²	31	6%	0.056	17%	0.171	C	C	.	.	S	Bend	trans	-84.5	-7	-175.2	-55.7	-69	-49.1	0	0	113.6	N115 H159 T379 S381	N115-Q122 PolarHBondContact ND2-OE1 3.02Å; Q122-H159 PolarHBondContact O-CE1 3.13Å; Q122-H159 PolarHBondContact O-ND1 3.21Å; Q122-T379 WeakPolarHBondContact CB-O 3.48Å; Q122-T379 PolarHBondContact N-O 2.65Å; Q122-S381 PolarHBondContact NE2-OG 2.99Å
123	L	84.5	Confident	94.9	Very high	42 Å²	42	32 Å²	32	22%	0.22	18%	0.178	C	C	.	.	S	Bend	trans	-110	-42.3	-171.6	-62.1	-179.7	0	0	0	113.1	D121 T162 L163 T164 L281 I284 T379	D121-L123 WeakPolarHBondContact OD1-CA 3.38Å; D121-L123 PolarHBondContact OD1-N 3.38Å; L123-T162 HydrophobicContact CD2-CG2 4.19Å; L123-T162 WeakPolarHBondContact O-CB 3.49Å; L123-L163 CarbonylContact O-C 3.58Å; L123-L163 WeakPolarHBondContact O-CA 3.41Å; L123-L163 WeakPolarHBondContact O-CB 3.43Å; L123-L163 PolarHBondContact O-N 3.5Å; L123-T164 PolarHBondContact O-N 2.92Å; L123-L281 HydrophobicContact CD2-CD2 4.17Å; L123-I284 HydrophobicContact CD1-CD1 4.15Å; L123-I284 HydrophobicContact CD2-CD1 3.72Å; L123-T379 HydrophobicContact CD1-CG2 3.99Å; L123-T379 HydrophobicContact CD2-CG2 4.15Å; L123-T379 HydrophobicContact CG-CG2 4.1Å
124	V	86.4	Confident	94.7	Very high	91 Å²	91	38 Å²	38	55%	0.552	20%	0.2	S	C	*	.	S	Bend	trans	-130.4	1.8	-176.8	-61.5	0	0	0	0	112.1	D121 L163	D121-V124 WeakPolarHBondContact OD1-CG2 3.19Å; D121-V124 PolarHBondContact OD1-N 2.7Å; D121-V124 WeakPolarHBondContact OD2-CG2 3.45Å; V124-L163 HydrophobicContact CG1-CB 4.11Å; V124-L163 HydrophobicContact CG1-CD1 4.21Å
125	G	87.8	Confident	94.7	Very high	5 Å²	5	37.4 Å²	37.4	5%	0.052	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-61.3	153.6	-179.2	0	0	0	0	0	113.7	D121 T164 T165	D121-G125 WeakPolarHBondContact O-CA 3.47Å; D121-G125 PolarHBondContact O-N 3.39Å; D121-G125 PolarHBondContact OD1-N 2.82Å; D121-G125 PolarHBondContact OD2-N 3.43Å; G125-T164 WeakPolarHBondContact O-CA 3.15Å; G125-T164 WeakPolarHBondContact O-CB 3.13Å; G125-T164 WeakPolarHBondContact O-CG2 2.95Å; G125-T165 PolarHBondContact O-N 3.39Å
126	K	94.9	Very high	94.7	Very high	111 Å²	111	37.1 Å²	37.1	48%	0.483	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-76.2	134.9	176.8	-169.8	-174.5	-176.6	-166.7	0	110.5	T119 H128 T165	T119-K126 PolarHBondContact N-O 2.77Å; T119-K126 PolarHBondContact OG1-O 3.06Å; K126-H128 PolarHBondContact NZ-CD2 3.27Å; K126-H128 PolarHBondContact NZ-NE2 2.82Å; K126-T165 HydrophobicContact CG-CG2 4.49Å; K126-T165 WeakPolarHBondContact CG-OG1 3.31Å
127	S	97.1	Very high	94.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-87.7	132.7	161.6	-54.3	0	0	0	0	110.1	Y117 T165 I167	Y117-S127 WeakPolarHBondContact CD2-OG 3.17Å; Y117-S127 CarbonylContact O-C 3.5Å; Y117-S127 WeakPolarHBondContact O-CA 3.24Å; S127-T165 WeakPolarHBondContact CB-O 3.34Å; S127-T165 PolarHBondContact N-OG1 2.97Å; S127-T165 PolarHBondContact O-OG1 3.34Å; S127-T165 PolarHBondContact OG-O 3.11Å; S127-I167 WeakPolarHBondContact O-CG2 3.45Å
128	H	97.8	Very high	94.5	Very high	54 Å²	54	42.3 Å²	42.3	25%	0.25	22%	0.223	C	C	.	.			trans	-148.7	151	-175.1	-156.4	-105.3	0	0	0	113.3	Y117 T119 K126 D130 A131	Y117-H128 PolarHBondContact O-N 3.46Å; T119-H128 HydrophobicContact CG2-CB 3.66Å; K126-H128 PolarHBondContact NZ-CD2 3.27Å; K126-H128 PolarHBondContact NZ-NE2 2.82Å; H128-D130 VanDerWaalsContact CE1-CG 3.46Å; H128-D130 IonicContact CE1-OD1 2.91Å; H128-D130 IonicContact CE1-OD2 3.82Å; H128-D130 PolarHBondContact CE1-OD2 3.42Å; H128-D130 WeakPolarHBondContact ND1-CB 3.39Å; H128-D130 VanDerWaalsContact ND1-CG 3.28Å; H128-D130 PolarHBondContact ND1-N 3.33Å; H128-D130 IonicContact ND1-OD1 2.79Å; H128-D130 IonicContact ND1-OD2 2.81Å; H128-D130 PolarHBondContact ND1-OD2 2.89Å; H128-A131 WeakPolarHBondContact O-CB 3.15Å; H128-A131 PolarHBondContact O-N 2.82Å
129	L	98.1	Very high	94.5	Very high	52 Å²	52	44.9 Å²	44.9	27%	0.272	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-37.6	177.6	-60.8	177.7	0	0	0	112.3	A131 Y132 V133 I167 D171 V172 T175	L129-A131 PolarHBondContact O-N 3.49Å; L129-Y132 WeakPolarHBondContact O-CB 3.42Å; L129-Y132 PolarHBondContact O-N 3.27Å; L129-V133 PolarHBondContact O-N 3.38Å; L129-I167 HydrophobicContact CD2-CD1 4.25Å; L129-D171 HydrophobicContact CD1-CB 4.05Å; L129-D171 HydrophobicContact CD2-CB 3.99Å; L129-V172 HydrophobicContact CD2-CG2 3.94Å; L129-T175 HydrophobicContact CB-CG2 4.45Å
130	D	96.8	Very high	94.7	Very high	96 Å²	96	41.6 Å²	41.6	51%	0.513	22%	0.215	S	C	.	.	H	α-helix	trans	-57.9	-22.5	174.9	-62	-13.7	0	0	0	113.5	H128 Y132 V133 R134	H128-D130 VanDerWaalsContact CE1-CG 3.46Å; H128-D130 IonicContact CE1-OD1 2.91Å; H128-D130 IonicContact CE1-OD2 3.82Å; H128-D130 PolarHBondContact CE1-OD2 3.42Å; H128-D130 WeakPolarHBondContact ND1-CB 3.39Å; H128-D130 VanDerWaalsContact ND1-CG 3.28Å; H128-D130 PolarHBondContact ND1-N 3.33Å; H128-D130 IonicContact ND1-OD1 2.79Å; H128-D130 IonicContact ND1-OD2 2.81Å; H128-D130 PolarHBondContact ND1-OD2 2.89Å; D130-Y132 PolarHBondContact O-N 2.87Å; D130-V133 PolarHBondContact O-N 2.74Å; D130-R134 WeakPolarHBondContact O-CB 3.32Å; D130-R134 PolarHBondContact O-N 2.82Å
131	A	97.1	Very high	95.1	Very high	11 Å²	11	40.4 Å²	40.4	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-69.1	-16.5	175.9	0	0	0	0	0	112.1	T116 Y117 T119 H128 L129 P135	T116-A131 WeakPolarHBondContact CG2-O 3.44Å; T116-A131 CarbonylContact O-C 3.53Å; T116-A131 WeakPolarHBondContact O-CB 3.26Å; Y117-A131 WeakPolarHBondContact O-CB 3.19Å; T119-A131 HydrophobicContact CG2-CB 3.81Å; H128-A131 WeakPolarHBondContact O-CB 3.15Å; H128-A131 PolarHBondContact O-N 2.82Å; L129-A131 PolarHBondContact O-N 3.49Å; A131-P135 WeakPolarHBondContact O-CD 3.3Å; A131-P135 WeakPolarHBondContact O-CG 3.38Å
132	Y	98.6	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-91.5	-40.7	167.1	-68.6	-80.4	0	0	0	112.7	T116 Y117 L129 D130 P135 L136 L143 E144 I145 I167 V172 V176	T116-Y132 HydrophobicContact CG2-CD1 3.51Å; T116-Y132 HydrophobicContact CG2-CE1 3.7Å; T116-Y132 HydrophobicContact CG2-CG 4.2Å; Y117-Y132 WeakPolarHBondContact CB-OH 3.4Å; L129-Y132 WeakPolarHBondContact O-CB 3.42Å; L129-Y132 PolarHBondContact O-N 3.27Å; D130-Y132 PolarHBondContact O-N 2.87Å; Y132-P135 WeakPolarHBondContact O-CD 3.24Å; Y132-L136 WeakPolarHBondContact O-CG 3.47Å; Y132-L136 PolarHBondContact O-N 3.01Å; Y132-L143 HydrophobicContact CD1-CB 4.41Å; Y132-L143 HydrophobicContact CD1-CD1 4.23Å; Y132-L143 HydrophobicContact CE1-CB 4.43Å; Y132-E144 PolarHBondContact OH-O 2.96Å; Y132-E144 VanDerWaalsContact OH-O 3.08Å; Y132-I145 HydrophobicContact CE1-CG1 4Å; Y132-I167 HydrophobicContact CE2-CD1 4.06Å; Y132-V172 HydrophobicContact CD1-CG1 4.25Å; Y132-V172 HydrophobicContact CD2-CG1 3.96Å; Y132-V172 HydrophobicContact CD2-CG2 4.19Å; Y132-V172 HydrophobicContact CE1-CG1 3.87Å; Y132-V172 HydrophobicContact CE2-CB 4.21Å; Y132-V172 HydrophobicContact CE2-CG1 3.54Å; Y132-V172 HydrophobicContact CE2-CG2 3.61Å; Y132-V172 HydrophobicContact CG-CG1 4.28Å; Y132-V172 VanDerWaalsContact CZ-CG1 3.49Å; Y132-V176 HydrophobicContact CD1-CG2 4.45Å
133	V	98.4	Very high	95.8	Very high	23 Å²	23	37.4 Å²	37.4	14%	0.139	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-50.9	179.6	-176.9	0	0	0	0	110.7	L129 D130 L136 L137 T175	L129-V133 PolarHBondContact O-N 3.38Å; D130-V133 PolarHBondContact O-N 2.74Å; V133-L136 PolarHBondContact O-N 2.92Å; V133-L137 HydrophobicContact CG1-CD1 3.83Å; V133-L137 HydrophobicContact CG1-CG 4.22Å; V133-L137 WeakPolarHBondContact O-CG 3.18Å; V133-L137 PolarHBondContact O-N 3.19Å; V133-T175 HydrophobicContact CG2-CG2 3.47Å; V133-T175 VanDerWaalsContact CG2-CG2 3.47Å
134	R	95.9	Very high	96.5	Very high	126 Å²	126	35.6 Å²	35.6	48%	0.475	18%	0.177	S	C	.	.	H	α-helix	trans	-61.6	-49.6	-174.6	175.2	178.5	-176.8	145.9	4.5	112.8	D130 L136 L137 M138	D130-R134 WeakPolarHBondContact O-CB 3.32Å; D130-R134 PolarHBondContact O-N 2.82Å; R134-L136 VanDerWaalsContact C-N 3.34Å; R134-L136 PolarHBondContact O-N 3.17Å; R134-L137 PolarHBondContact O-N 2.95Å; R134-M138 HydrophobicContact CG-CG 4.46Å; R134-M138 HydrophobicContact CG-SD 3.87Å; R134-M138 WeakPolarHBondContact O-CB 3.42Å; R134-M138 VanDerWaalsContact O-CG 3.29Å; R134-M138 WeakPolarHBondContact O-CG 3.33Å; R134-M138 PolarHBondContact O-N 3.27Å
135	P	97.4	Very high	97.1	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.032	15%	0.151	C	C	.	.	H	α-helix	trans	-59.1	-40.3	174.1	-29.4	39.3	0	0	0	113.4	T116 A131 Y132 M138 Q139 C140 L143 F401	T116-P135 HydrophobicContact CG2-CG 4.18Å; A131-P135 WeakPolarHBondContact O-CD 3.3Å; A131-P135 WeakPolarHBondContact O-CG 3.38Å; Y132-P135 WeakPolarHBondContact O-CD 3.24Å; P135-M138 CarbonylContact O-C 3.55Å; P135-M138 WeakPolarHBondContact O-CA 3.38Å; P135-M138 PolarHBondContact O-N 2.86Å; P135-Q139 PolarHBondContact O-N 2.75Å; P135-C140 VanDerWaalsContact C-CB 3.47Å; P135-C140 HydrophobicContact CB-CB 3.64Å; P135-C140 WeakPolarHBondContact O-CA 3.35Å; P135-C140 WeakPolarHBondContact O-CB 3.49Å; P135-C140 PolarHBondContact O-N 3.4Å; P135-L143 HydrophobicContact CB-CD2 4.29Å; P135-F401 HydrophobicContact CB-CD1 3.61Å; P135-F401 HydrophobicContact CB-CE1 3.98Å; P135-F401 HydrophobicContact CB-CG 4.17Å; P135-F401 HydrophobicContact CG-CB 3.93Å; P135-F401 HydrophobicContact CG-CD1 3.85Å; P135-F401 HydrophobicContact CG-CG 4.08Å
136	L	98.5	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-45.9	176.6	-76.8	170.5	0	0	0	111.7	Y132 V133 R134 M138 Q139 R141 L143 H179 V183 V188	Y132-L136 WeakPolarHBondContact O-CG 3.47Å; Y132-L136 PolarHBondContact O-N 3.01Å; V133-L136 PolarHBondContact O-N 2.92Å; R134-L136 VanDerWaalsContact C-N 3.34Å; R134-L136 PolarHBondContact O-N 3.17Å; L136-M138 PolarHBondContact O-N 2.71Å; L136-Q139 WeakPolarHBondContact O-CA 3.45Å; L136-Q139 PolarHBondContact O-N 3.12Å; L136-R141 VanDerWaalsContact CD2-NH2 3.32Å; L136-L143 HydrophobicContact CD1-CD1 4.11Å; L136-L143 HydrophobicContact CD2-CD1 3.9Å; L136-L143 HydrophobicContact CD2-CD2 4.42Å; L136-L143 HydrophobicContact CG-CD1 4Å; L136-L143 HydrophobicContact CG-CD2 4.37Å; L136-H179 HydrophobicContact CB-CB 4.41Å; L136-H179 HydrophobicContact CD1-CB 3.77Å; L136-V183 WeakPolarHBondContact O-CG2 3.33Å; L136-V188 HydrophobicContact CD2-CG2 4.32Å
137	L	96.9	Very high	97.8	Very high	76 Å²	76	25.9 Å²	25.9	40%	0.398	13%	0.127	S	C	.	.	H	α-helix	trans	-66.4	-20.7	173	-68.7	-179.3	0	0	0	113.6	V133 R134 Q139 E182 V183	V133-L137 HydrophobicContact CG1-CD1 3.83Å; V133-L137 HydrophobicContact CG1-CG 4.22Å; V133-L137 WeakPolarHBondContact O-CG 3.18Å; V133-L137 PolarHBondContact O-N 3.19Å; R134-L137 PolarHBondContact O-N 2.95Å; L137-Q139 VanDerWaalsContact C-N 3.27Å; L137-Q139 PolarHBondContact O-NE2 3.44Å; L137-E182 VanDerWaalsContact CD2-OE2 3.27Å; L137-E182 WeakPolarHBondContact CD2-OE2 3.48Å; L137-V183 HydrophobicContact CD2-CG1 3.95Å
138	M	95.4	Very high	97.8	Very high	37 Å²	37	27.2 Å²	27.2	18%	0.182	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	29.2	168.6	-65.3	178	62.6	0	0	111.8	R134 P135 L136 C140 F401 M408 N412	R134-M138 HydrophobicContact CG-CG 4.46Å; R134-M138 HydrophobicContact CG-SD 3.87Å; R134-M138 WeakPolarHBondContact O-CB 3.42Å; R134-M138 VanDerWaalsContact O-CG 3.29Å; R134-M138 WeakPolarHBondContact O-CG 3.33Å; R134-M138 PolarHBondContact O-N 3.27Å; P135-M138 CarbonylContact O-C 3.55Å; P135-M138 WeakPolarHBondContact O-CA 3.38Å; P135-M138 PolarHBondContact O-N 2.86Å; L136-M138 PolarHBondContact O-N 2.71Å; M138-C140 PolarHBondContact O-N 2.85Å; M138-F401 HydrophobicContact CB-CE1 4.33Å; M138-M408 HydrophobicContact CE-CE 4.22Å; M138-N412 WeakPolarHBondContact CE-ND2 3.19Å; M138-N412 WeakPolarHBondContact CE-OD1 3.24Å
139	Q	95.3	Very high	97.8	Very high	56 Å²	56	28 Å²	28	26%	0.262	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	17.2	170.9	-55.2	66	52	0	0	114.3	S111 P135 L136 L137 R141 V183 G420 G422	S111-Q139 WeakPolarHBondContact CB-O 3.43Å; P135-Q139 PolarHBondContact O-N 2.75Å; L136-Q139 WeakPolarHBondContact O-CA 3.45Å; L136-Q139 PolarHBondContact O-N 3.12Å; L137-Q139 VanDerWaalsContact C-N 3.27Å; L137-Q139 PolarHBondContact O-NE2 3.44Å; Q139-R141 PolarHBondContact O-N 3.09Å; Q139-V183 HydrophobicContact CG-CG2 4.32Å; Q139-G420 WeakPolarHBondContact CB-O 3.47Å; Q139-G420 WeakPolarHBondContact CG-O 3.45Å; Q139-G422 VanDerWaalsContact O-CA 3.28Å; Q139-G422 WeakPolarHBondContact O-CA 3.43Å
140	C	98.7	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.			trans	-65.1	133.6	174.3	-170	0	0	0	0	110.1	S111 S113 P135 M138 C142 L143 F401	S111-C140 PolarHBondContact O-SG 2.88Å; S111-C140 VanDerWaalsContact O-SG 3.4Å; S111-C140 WeakPolarHBondContact OG-CA 3.44Å; S113-C140 PolarHBondContact N-SG 3.01Å; S113-C140 VanDerWaalsContact N-SG 3.37Å; P135-C140 VanDerWaalsContact C-CB 3.47Å; P135-C140 HydrophobicContact CB-CB 3.64Å; P135-C140 WeakPolarHBondContact O-CA 3.35Å; P135-C140 WeakPolarHBondContact O-CB 3.49Å; P135-C140 PolarHBondContact O-N 3.4Å; M138-C140 PolarHBondContact O-N 2.85Å; C140-C142 PolarHBondContact SG-O 3.23Å; C140-C142 VanDerWaalsContact SG-O 3.4Å; C140-L143 HydrophobicContact CB-CD2 4.28Å; C140-F401 HydrophobicContact CB-CE1 3.78Å; C140-F401 HydrophobicContact CB-CZ 3.87Å
141	R	98.9	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.			trans	-119.1	-6.2	-175.2	-60.6	-65.6	86	-176.9	-0.6	113.3	I110 S111 L136 Q139 A180 S184 Y186 V188 I189 Y423	I110-R141 HydrophobicContact CG2-CB 3.85Å; S111-R141 PolarHBondContact O-N 3.01Å; L136-R141 VanDerWaalsContact CD2-NH2 3.32Å; Q139-R141 PolarHBondContact O-N 3.09Å; R141-A180 VanDerWaalsContact CZ-O 3.28Å; R141-A180 PolarHBondContact NH1-O 2.82Å; R141-A180 PolarHBondContact NH2-O 3.48Å; R141-S184 PolarHBondContact NH1-O 2.72Å; R141-Y186 PolarHBondContact NH1-O 2.86Å; R141-V188 CarbonylContact O-C 3.23Å; R141-V188 VanDerWaalsContact O-CA 3.29Å; R141-V188 WeakPolarHBondContact O-CA 3.35Å; R141-I189 PolarHBondContact O-N 2.91Å; R141-Y423 HydrophobicContact CB-CD2 4.45Å; R141-Y423 HydrophobicContact CB-CE2 3.67Å; R141-Y423 HydrophobicContact CG-CD2 3.84Å; R141-Y423 HydrophobicContact CG-CE2 3.43Å; R141-Y423 VanDerWaalsContact CG-CE2 3.43Å
142	C	98.9	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	115.6	170.7	178.6	0	0	0	0	110.6	S111 T112 S113 C140 I189 L396	S111-C142 PolarHBondContact O-N 2.94Å; T112-C142 WeakPolarHBondContact CA-O 3.47Å; T112-C142 HydrophobicContact CG2-CB 3.78Å; S113-C142 PolarHBondContact N-O 3.37Å; S113-C142 PolarHBondContact OG-O 3.06Å; C140-C142 PolarHBondContact SG-O 3.23Å; C140-C142 VanDerWaalsContact SG-O 3.4Å; C142-I189 CarbonylContact C-O 3.58Å; C142-I189 VanDerWaalsContact CA-O 3.28Å; C142-I189 WeakPolarHBondContact CA-O 3.19Å; C142-I189 HydrophobicContact CB-CB 4.1Å; C142-L396 HydrophobicContact CB-CD2 3.76Å
143	L	98.9	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.6	-176.3	-50.5	169.5	0	0	0	109.8	T116 Y132 P135 L136 C140 V176 V188 I189 L190 S191	T116-L143 HydrophobicContact CG2-CB 4.39Å; T116-L143 HydrophobicContact CG2-CD2 3.9Å; Y132-L143 HydrophobicContact CD1-CB 4.41Å; Y132-L143 HydrophobicContact CD1-CD1 4.23Å; Y132-L143 HydrophobicContact CE1-CB 4.43Å; P135-L143 HydrophobicContact CB-CD2 4.29Å; L136-L143 HydrophobicContact CD1-CD1 4.11Å; L136-L143 HydrophobicContact CD2-CD1 3.9Å; L136-L143 HydrophobicContact CD2-CD2 4.42Å; L136-L143 HydrophobicContact CG-CD1 4Å; L136-L143 HydrophobicContact CG-CD2 4.37Å; C140-L143 HydrophobicContact CB-CD2 4.28Å; L143-V176 HydrophobicContact CD1-CG2 3.92Å; L143-V188 HydrophobicContact CD1-CG1 4.21Å; L143-V188 HydrophobicContact CG-CG1 4.49Å; L143-I189 PolarHBondContact N-O 2.86Å; L143-L190 HydrophobicContact CB-CD2 4.13Å; L143-L190 HydrophobicContact CD1-CD2 4Å; L143-L190 HydrophobicContact CG-CD2 4.47Å; L143-S191 PolarHBondContact O-N 2.92Å
144	E	98.8	Very high	97.4	Very high	4 Å²	4	37 Å²	37	2%	0.019	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.3	176.7	-176.7	162.3	-121.1	0	0	111.3	H114 N115 T116 Y132 S191 R371	H114-E144 VanDerWaalsContact CA-OE2 3.31Å; H114-E144 WeakPolarHBondContact CA-OE2 3.29Å; H114-E144 IonicContact CD2-OE2 3.33Å; H114-E144 PolarHBondContact CD2-OE2 3Å; H114-E144 IonicContact CG-OE2 3.11Å; H114-E144 IonicContact NE2-OE2 3.21Å; N115-E144 PolarHBondContact N-OE2 3.26Å; N115-E144 PolarHBondContact OD1-OE2 3.38Å; T116-E144 WeakPolarHBondContact CB-O 3.49Å; T116-E144 PolarHBondContact OG1-N 2.66Å; Y132-E144 PolarHBondContact OH-O 2.96Å; Y132-E144 VanDerWaalsContact OH-O 3.08Å; E144-S191 WeakPolarHBondContact CA-O 3.44Å; E144-R371 IonicContact OE1-CZ 3.52Å; E144-R371 IonicContact OE1-NH1 3.53Å; E144-R371 PolarHBondContact OE1-NH1 2.87Å; E144-R371 IonicContact OE1-NH2 3.06Å; E144-R371 PolarHBondContact OE1-NH2 2.9Å; E144-R371 IonicContact OE2-CZ 3.72Å; E144-R371 IonicContact OE2-NH1 2.75Å; E144-R371 IonicContact OE2-NH2 3.3Å; E144-R371 PolarHBondContact OE2-NH2 2.93Å
145	I	98.6	Very high	97.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	108.6	-179	-47.3	178.3	0	0	0	108.6	Y132 C147 V157 F169 V172 I173 L190 S191 L192 E193	Y132-I145 HydrophobicContact CE1-CG1 4Å; I145-C147 PolarHBondContact O-N 2.7Å; I145-C147 PolarHBondContact O-SG 3.13Å; I145-V157 HydrophobicContact CG2-CB 4.36Å; I145-V157 HydrophobicContact CG2-CG1 3.88Å; I145-V157 HydrophobicContact CG2-CG2 3.49Å; I145-V157 VanDerWaalsContact CG2-CG2 3.49Å; I145-F169 HydrophobicContact CG2-CD2 3.91Å; I145-F169 HydrophobicContact CG2-CE2 3.99Å; I145-V172 HydrophobicContact CD1-CG1 3.92Å; I145-V172 HydrophobicContact CG1-CG1 4.33Å; I145-V172 HydrophobicContact CG2-CG1 4.39Å; I145-I173 HydrophobicContact CD1-CD1 3.96Å; I145-L190 HydrophobicContact CD1-CB 4.37Å; I145-L190 HydrophobicContact CD1-CD1 4.3Å; I145-L190 HydrophobicContact CD1-CD2 4.33Å; I145-S191 PolarHBondContact N-O 2.77Å; I145-L192 HydrophobicContact CB-CD2 3.97Å; I145-L192 HydrophobicContact CD1-CD2 4.03Å; I145-L192 HydrophobicContact CG1-CD2 4.35Å; I145-L192 WeakPolarHBondContact O-CA 3.34Å; I145-E193 PolarHBondContact O-N 2.86Å
146	D	98.4	Very high	97.6	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	104.1	178.7	-70	11.7	0	0	0	109.2	Y117 V157 Y158 E193	Y117-D146 HydrophobicContact CE1-CB 3.66Å; Y117-D146 VanDerWaalsContact OH-CG 3.23Å; Y117-D146 PolarHBondContact OH-OD2 2.93Å; D146-V157 VanDerWaalsContact O-CA 3.25Å; D146-V157 WeakPolarHBondContact O-CA 3.47Å; D146-Y158 WeakPolarHBondContact CB-O 3.4Å; D146-Y158 PolarHBondContact O-N 2.91Å; D146-E193 HydrophobicContact CB-CB 4.46Å; D146-E193 WeakPolarHBondContact OD1-CB 3.36Å
147	C	98.3	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.6	-168.3	-50.1	0	0	0	0	109.8	I145 E193 H195 C196 M204	I145-C147 PolarHBondContact O-N 2.7Å; I145-C147 PolarHBondContact O-SG 3.13Å; C147-E193 PolarHBondContact N-O 2.99Å; C147-H195 WeakPolarHBondContact O-CA 3.06Å; C147-H195 WeakPolarHBondContact O-CB 3.11Å; C147-H195 PolarHBondContact O-N 3.13Å; C147-C196 PolarHBondContact O-SG 3.45Å; C147-M204 HydrophobicContact CB-CE 3.55Å; C147-M204 HydrophobicContact CB-SD 3.8Å; C147-M204 WeakPolarHBondContact SG-CE 3.44Å
148	W	98.2	Very high	97.6	Very high	29 Å²	29	29.1 Å²	29.1	11%	0.11	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.8	-178.9	-69.7	85.9	0	0	0	111.2	G150 V156 Y158 G160 Y161 H195 C196	W148-G150 PolarHBondContact O-N 2.92Å; W148-V156 HydrophobicContact CB-CG2 4.14Å; W148-V156 PolarHBondContact N-O 2.84Å; W148-V156 WeakPolarHBondContact O-CG2 3.5Å; W148-V156 PolarHBondContact O-N 2.83Å; W148-Y158 HydrophobicContact CB-CD1 4Å; W148-Y158 HydrophobicContact CB-CE1 3.4Å; W148-Y158 AromaticContact CD1-CD1 3.77Å; W148-Y158 AromaticContact CD1-CE1 3.66Å; W148-Y158 HydrophobicContact CD2-CE1 4.07Å; W148-Y158 AromaticContact CG-CD1 3.95Å; W148-Y158 HydrophobicContact CG-CD1 3.95Å; W148-Y158 AromaticContact CG-CE1 3.4Å; W148-Y158 HydrophobicContact CG-CE1 3.4Å; W148-Y158 PolarHBondContact NE1-O 2.68Å; W148-G160 VanDerWaalsContact CZ2-CA 3.41Å; W148-Y161 HydrophobicContact CH2-CD2 4.17Å; W148-Y161 AromaticContact CH2-CE2 3.52Å; W148-Y161 HydrophobicContact CH2-CE2 3.52Å; W148-Y161 AromaticContact CH2-CZ 3.78Å; W148-Y161 HydrophobicContact CZ2-CE2 4.32Å; W148-Y161 HydrophobicContact CZ3-CE2 4.31Å; W148-H195 HydrophobicContact CD2-CB 3.64Å; W148-H195 AromaticContact CE2-CD2 3.37Å; W148-H195 AromaticContact CE2-CG 3.64Å; W148-H195 HydrophobicContact CE3-CB 3.59Å; W148-H195 HydrophobicContact CG-CB 4.28Å; W148-H195 HydrophobicContact CH2-CB 3.82Å; W148-H195 AromaticContact CH2-CD2 3.93Å; W148-H195 AromaticContact CH2-CG 3.55Å; W148-H195 AromaticContact CH2-ND1 3.67Å; W148-H195 HydrophobicContact CZ2-CB 3.88Å; W148-H195 AromaticContact CZ2-CD2 3.25Å; W148-H195 WeakPolarHBondContact CZ2-CD2 3.46Å; W148-H195 AromaticContact CZ2-CE1 3.82Å; W148-H195 AromaticContact CZ2-CG 3.37Å; W148-H195 AromaticContact CZ2-ND1 3.77Å; W148-H195 AromaticContact CZ2-NE2 3.53Å; W148-H195 HydrophobicContact CZ3-CB 3.69Å; W148-H195 AromaticContact CZ3-CG 3.97Å; W148-H195 AromaticContact NE1-CD2 3.63Å; W148-C196 VanDerWaalsContact CA-SG 3.6Å; W148-C196 PolarHBondContact N-SG 2.97Å; W148-C196 VanDerWaalsContact N-SG 3.44Å
149	D	97.8	Very high	97.5	Very high	69 Å²	69	28.7 Å²	28.7	37%	0.369	16%	0.155	S	C	.	.			trans	-60.1	129.1	174.6	-68.2	-29.9	0	0	0	110.8	C196 C197 Q200	D149-C196 WeakPolarHBondContact OD1-CA 3.36Å; D149-C196 WeakPolarHBondContact OD1-CB 3.26Å; D149-C197 PolarHBondContact OD1-N 2.97Å; D149-C197 PolarHBondContact OD2-N 3.34Å; D149-Q200 VanDerWaalsContact CA-OE1 3.26Å
150	G	96.8	Very high	97.2	Very high	14 Å²	14	26.2 Å²	26.2	14%	0.144	15%	0.145	C	C	.	.			trans	-112.6	176.1	172.1	0	0	0	0	0	113.3	W148 E154 Q200	W148-G150 PolarHBondContact O-N 2.92Å; G150-E154 CarbonylContact C-O 3.53Å; G150-E154 WeakPolarHBondContact CA-O 3.29Å; G150-E154 PolarHBondContact N-O 2.59Å; G150-Q200 PolarHBondContact O-NE2 2.85Å
151	P	95.8	Very high	96.8	Very high	93 Å²	93	33 Å²	33	60%	0.604	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-65.6	160.3	175.7	30.9	-35.1	0	0	0	111.2	T153 E154	P151-T153 PolarHBondContact O-N 2.58Å; P151-T153 VanDerWaalsContact O-N 3.09Å; P151-E154 PolarHBondContact O-N 3.15Å
152	D	95.2	Very high	96.3	Very high	147 Å²	147	34.2 Å²	34.2	79%	0.786	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	52.2	36.7	172.9	-51.2	-43.1	0	0	0	113.9	E154	D152-E154 PolarHBondContact O-N 3.03Å; D152-E154 VanDerWaalsContact O-N 3.09Å
153	T	94.5	Very high	95.9	Very high	65 Å²	65	39.6 Å²	39.6	40%	0.399	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	55.7	19.2	-176.4	61.7	0	0	0	0	115.4	P151 P155	P151-T153 PolarHBondContact O-N 2.58Å; P151-T153 VanDerWaalsContact O-N 3.09Å; T153-P155 WeakPolarHBondContact O-CD 3.47Å
154	E	97.8	Very high	95.6	Very high	54 Å²	54	39.9 Å²	39.9	25%	0.252	21%	0.209	S	C	.	.			trans	-94.8	114.3	177.4	-73.2	-72	178.2	0	0	111.5	G150 P151 D152 L168 Y207	G150-E154 CarbonylContact C-O 3.53Å; G150-E154 WeakPolarHBondContact CA-O 3.29Å; G150-E154 PolarHBondContact N-O 2.59Å; P151-E154 PolarHBondContact O-N 3.15Å; D152-E154 PolarHBondContact O-N 3.03Å; D152-E154 VanDerWaalsContact O-N 3.09Å; E154-L168 HydrophobicContact CB-CD2 4.29Å; E154-Y207 PolarHBondContact OE1-OH 2.81Å; E154-Y207 VanDerWaalsContact OE2-CE2 3.26Å; E154-Y207 WeakPolarHBondContact OE2-CE2 3.42Å; E154-Y207 PolarHBondContact OE2-OH 2.95Å
155	P	98.4	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.			trans	-64	140.3	177.9	-15	26.2	0	0	0	112	T153 F169 Q200 V203 M204	T153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-F169 HydrophobicContact CB-CB 3.9Å; P155-F169 HydrophobicContact CB-CG 4.42Å; P155-F169 VanDerWaalsContact O-CB 3.26Å; P155-F169 WeakPolarHBondContact O-CB 3.04Å; P155-F169 PolarHBondContact O-N 3.33Å; P155-Q200 VanDerWaalsContact CA-OE1 3.27Å; P155-Q200 HydrophobicContact CG-CB 4.12Å; P155-Q200 WeakPolarHBondContact CG-O 3.28Å; P155-V203 HydrophobicContact CG-CB 4.22Å; P155-V203 HydrophobicContact CG-CG1 4.09Å; P155-M204 HydrophobicContact CB-CG 3.84Å; P155-M204 HydrophobicContact CB-SD 4.48Å; P155-M204 HydrophobicContact CG-CG 3.65Å
156	V	98.6	Very high	95.4	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	158.8	179.6	-67.2	0	0	0	0	111.8	W148 Y158 K166 I167 L168	W148-V156 HydrophobicContact CB-CG2 4.14Å; W148-V156 PolarHBondContact N-O 2.84Å; W148-V156 WeakPolarHBondContact O-CG2 3.5Å; W148-V156 PolarHBondContact O-N 2.83Å; V156-Y158 HydrophobicContact CG2-CD1 4.14Å; V156-Y158 HydrophobicContact CG2-CE1 4.18Å; V156-K166 HydrophobicContact CB-CB 4.44Å; V156-K166 HydrophobicContact CG2-CD 4.21Å; V156-I167 CarbonylContact C-O 3.48Å; V156-I167 WeakPolarHBondContact CA-O 3.41Å; V156-L168 HydrophobicContact CG1-CD2 4.19Å
157	V	98.6	Very high	95.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.1	177.9	-176.4	0	0	0	0	109.9	Y117 I145 D146 I167 F169 V172	Y117-V157 HydrophobicContact CD1-CG1 3.56Å; Y117-V157 HydrophobicContact CD2-CG1 4.43Å; Y117-V157 HydrophobicContact CE1-CG1 4.23Å; Y117-V157 HydrophobicContact CG-CG1 3.69Å; I145-V157 HydrophobicContact CG2-CB 4.36Å; I145-V157 HydrophobicContact CG2-CG1 3.88Å; I145-V157 HydrophobicContact CG2-CG2 3.49Å; I145-V157 VanDerWaalsContact CG2-CG2 3.49Å; D146-V157 VanDerWaalsContact O-CA 3.25Å; D146-V157 WeakPolarHBondContact O-CA 3.47Å; V157-I167 HydrophobicContact CB-CD1 4.48Å; V157-I167 HydrophobicContact CB-CG1 3.89Å; V157-I167 PolarHBondContact N-O 3.39Å; V157-I167 PolarHBondContact O-N 3.19Å; V157-I167 VanDerWaalsContact O-N 3.12Å; V157-F169 HydrophobicContact CG2-CB 4.09Å; V157-F169 HydrophobicContact CG2-CD2 4.05Å; V157-V172 HydrophobicContact CB-CG2 4.46Å; V157-V172 HydrophobicContact CG2-CG2 4.16Å
158	Y	97.1	Very high	95.4	Very high	32 Å²	32	52.7 Å²	52.7	13%	0.125	27%	0.274	C	S	.	.	S	Bend	trans	-170.1	172.7	174.2	75.8	-72.8	0	0	0	111	Y117 D146 W148 V156 G160 T165 K166	Y117-Y158 VanDerWaalsContact CE2-C 3.48Å; D146-Y158 WeakPolarHBondContact CB-O 3.4Å; D146-Y158 PolarHBondContact O-N 2.91Å; W148-Y158 HydrophobicContact CB-CD1 4Å; W148-Y158 HydrophobicContact CB-CE1 3.4Å; W148-Y158 AromaticContact CD1-CD1 3.77Å; W148-Y158 AromaticContact CD1-CE1 3.66Å; W148-Y158 HydrophobicContact CD2-CE1 4.07Å; W148-Y158 AromaticContact CG-CD1 3.95Å; W148-Y158 HydrophobicContact CG-CD1 3.95Å; W148-Y158 AromaticContact CG-CE1 3.4Å; W148-Y158 HydrophobicContact CG-CE1 3.4Å; W148-Y158 PolarHBondContact NE1-O 2.68Å; V156-Y158 HydrophobicContact CG2-CD1 4.14Å; V156-Y158 HydrophobicContact CG2-CE1 4.18Å; Y158-G160 PolarHBondContact O-N 2.89Å; Y158-T165 WeakPolarHBondContact CB-O 3.36Å; Y158-K166 HydrophobicContact CD1-CD 4.11Å; Y158-K166 HydrophobicContact CD1-CG 3.87Å; Y158-K166 HydrophobicContact CD2-CG 4.38Å; Y158-K166 HydrophobicContact CE1-CD 4.25Å; Y158-K166 HydrophobicContact CE1-CG 4.48Å; Y158-K166 HydrophobicContact CG-CD 4.44Å; Y158-K166 HydrophobicContact CG-CG 3.81Å
159	H	94	Very high	95.4	Very high	28 Å²	28	51.3 Å²	51.3	13%	0.13	27%	0.269	C	S	.	.			trans	-83.4	108.2	175.3	-172.4	-144.6	0	0	0	110.4	Y117 Q122 T162 T164	Y117-H159 HydrophobicContact CE2-CB 4.03Å; Y117-H159 WeakPolarHBondContact OH-CA 3.38Å; Y117-H159 WeakPolarHBondContact OH-CB 3.39Å; Y117-H159 PolarHBondContact OH-N 2.73Å; Q122-H159 PolarHBondContact O-CE1 3.13Å; Q122-H159 PolarHBondContact O-ND1 3.21Å; H159-T162 HydrophobicContact CB-CG2 4.49Å; H159-T162 VanDerWaalsContact ND1-CG2 3.28Å; H159-T162 WeakPolarHBondContact ND1-CG2 3.43Å; H159-T162 PolarHBondContact O-N 3.28Å; H159-T162 PolarHBondContact O-OG1 3.31Å; H159-T164 HydrophobicContact CB-CG2 4.06Å; H159-T164 PolarHBondContact N-OG1 3.03Å; H159-T164 VanDerWaalsContact N-OG1 3.14Å
160	G	89.4	Confident	95.4	Very high	4 Å²	4	50.4 Å²	50.4	4%	0.041	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	145.9	-175.6	0	0	0	0	0	114.2	W148 Y158 T162	W148-G160 VanDerWaalsContact CZ2-CA 3.41Å; Y158-G160 PolarHBondContact O-N 2.89Å; G160-T162 PolarHBondContact O-N 3.32Å
161	Y	89.5	Confident	95.5	Very high	142 Å²	142	52 Å²	52	56%	0.557	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	20.1	-179.2	-46.1	-71.7	0	0	0	115.1	W148	W148-Y161 HydrophobicContact CH2-CD2 4.17Å; W148-Y161 AromaticContact CH2-CE2 3.52Å; W148-Y161 HydrophobicContact CH2-CE2 3.52Å; W148-Y161 AromaticContact CH2-CZ 3.78Å; W148-Y161 HydrophobicContact CZ2-CE2 4.32Å; W148-Y161 HydrophobicContact CZ3-CE2 4.31Å
162	T	89.2	Confident	95.7	Very high	26 Å²	26	47.6 Å²	47.6	16%	0.16	24%	0.238	C	C	.	.	S	Bend	trans	-124.1	-179.6	174.3	78.5	0	0	0	0	111.7	L123 H159 G160 T164	L123-T162 HydrophobicContact CD2-CG2 4.19Å; L123-T162 WeakPolarHBondContact O-CB 3.49Å; H159-T162 HydrophobicContact CB-CG2 4.49Å; H159-T162 VanDerWaalsContact ND1-CG2 3.28Å; H159-T162 WeakPolarHBondContact ND1-CG2 3.43Å; H159-T162 PolarHBondContact O-N 3.28Å; H159-T162 PolarHBondContact O-OG1 3.31Å; G160-T162 PolarHBondContact O-N 3.32Å; T162-T164 WeakPolarHBondContact OG1-CG2 3.38Å; T162-T164 PolarHBondContact OG1-N 3.34Å; T162-T164 PolarHBondContact OG1-OG1 3.4Å
163	L	89.4	Confident	95.9	Very high	114 Å²	114	40.6 Å²	40.6	60%	0.597	20%	0.201	S	C	*	.			trans	-98.1	12.6	179.3	-60.6	176.4	0	0	0	112.5	L123 V124 F286	L123-L163 CarbonylContact O-C 3.58Å; L123-L163 WeakPolarHBondContact O-CA 3.41Å; L123-L163 WeakPolarHBondContact O-CB 3.43Å; L123-L163 PolarHBondContact O-N 3.5Å; V124-L163 HydrophobicContact CG1-CB 4.11Å; V124-L163 HydrophobicContact CG1-CD1 4.21Å; L163-F286 HydrophobicContact CD2-CZ 4.34Å
164	T	92.5	Very high	96.1	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.037	20%	0.202	C	C	.	.			trans	-60.9	143	175.6	60	0	0	0	0	110.7	L118 L123 G125 H159 T162	L118-T164 HydrophobicContact CD2-CG2 3.7Å; L123-T164 PolarHBondContact O-N 2.92Å; G125-T164 WeakPolarHBondContact O-CA 3.15Å; G125-T164 WeakPolarHBondContact O-CB 3.13Å; G125-T164 WeakPolarHBondContact O-CG2 2.95Å; H159-T164 HydrophobicContact CB-CG2 4.06Å; H159-T164 PolarHBondContact N-OG1 3.03Å; H159-T164 VanDerWaalsContact N-OG1 3.14Å; T162-T164 WeakPolarHBondContact OG1-CG2 3.38Å; T162-T164 PolarHBondContact OG1-N 3.34Å; T162-T164 PolarHBondContact OG1-OG1 3.4Å
165	T	95.3	Very high	96.1	Very high	66 Å²	66	40.8 Å²	40.8	41%	0.405	19%	0.193	S	C	.	.			trans	-64.7	161.1	178.5	64.9	0	0	0	0	111.3	G125 K126 S127 Y158	G125-T165 PolarHBondContact O-N 3.39Å; K126-T165 HydrophobicContact CG-CG2 4.49Å; K126-T165 WeakPolarHBondContact CG-OG1 3.31Å; S127-T165 WeakPolarHBondContact CB-O 3.34Å; S127-T165 PolarHBondContact N-OG1 2.97Å; S127-T165 PolarHBondContact O-OG1 3.34Å; S127-T165 PolarHBondContact OG-O 3.11Å; Y158-T165 WeakPolarHBondContact CB-O 3.36Å
166	K	97.5	Very high	96.1	Very high	116 Å²	116	40.8 Å²	40.8	50%	0.504	19%	0.193	S	C	.	.			trans	-106.8	147.3	-178.9	-57.5	-179.1	175.9	-171.8	0	110.6	V156 Y158	V156-K166 HydrophobicContact CB-CB 4.44Å; V156-K166 HydrophobicContact CG2-CD 4.21Å; Y158-K166 HydrophobicContact CD1-CD 4.11Å; Y158-K166 HydrophobicContact CD1-CG 3.87Å; Y158-K166 HydrophobicContact CD2-CG 4.38Å; Y158-K166 HydrophobicContact CE1-CD 4.25Å; Y158-K166 HydrophobicContact CE1-CG 4.48Å; Y158-K166 HydrophobicContact CG-CD 4.44Å; Y158-K166 HydrophobicContact CG-CG 3.81Å
167	I	98.4	Very high	96.1	Very high	25 Å²	25	43.1 Å²	43.1	13%	0.128	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.5	169.4	59.2	-175.4	0	0	0	108.9	S127 L129 Y132 V156 V157 V172	S127-I167 WeakPolarHBondContact O-CG2 3.45Å; L129-I167 HydrophobicContact CD2-CD1 4.25Å; Y132-I167 HydrophobicContact CE2-CD1 4.06Å; V156-I167 CarbonylContact C-O 3.48Å; V156-I167 WeakPolarHBondContact CA-O 3.41Å; V157-I167 HydrophobicContact CB-CD1 4.48Å; V157-I167 HydrophobicContact CB-CG1 3.89Å; V157-I167 PolarHBondContact N-O 3.39Å; V157-I167 PolarHBondContact O-N 3.19Å; V157-I167 VanDerWaalsContact O-N 3.12Å; I167-V172 HydrophobicContact CD1-CG2 3.51Å; I167-V172 HydrophobicContact CG1-CG2 3.9Å
168	L	98.7	Very high	96.1	Very high	68 Å²	68	48.7 Å²	48.7	36%	0.356	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.6	179.6	-64.9	174.5	0	0	0	110.8	E154 V156 K170 D171 V172	E154-L168 HydrophobicContact CB-CD2 4.29Å; V156-L168 HydrophobicContact CG1-CD2 4.19Å; L168-K170 VanDerWaalsContact C-N 3.26Å; L168-K170 PolarHBondContact O-N 3.34Å; L168-D171 HydrophobicContact CB-CB 4.4Å; L168-D171 PolarHBondContact O-N 3.24Å; L168-V172 PolarHBondContact O-N 2.73Å
169	F	98.8	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-41.7	174.2	178.5	-94.5	0	0	0	111.3	I145 P155 V157 D171 V172 I173 L192 M204 Y207 L208	I145-F169 HydrophobicContact CG2-CD2 3.91Å; I145-F169 HydrophobicContact CG2-CE2 3.99Å; P155-F169 HydrophobicContact CB-CB 3.9Å; P155-F169 HydrophobicContact CB-CG 4.42Å; P155-F169 VanDerWaalsContact O-CB 3.26Å; P155-F169 WeakPolarHBondContact O-CB 3.04Å; P155-F169 PolarHBondContact O-N 3.33Å; V157-F169 HydrophobicContact CG2-CB 4.09Å; V157-F169 HydrophobicContact CG2-CD2 4.05Å; F169-D171 VanDerWaalsContact C-N 3.3Å; F169-D171 PolarHBondContact O-N 3.46Å; F169-V172 WeakPolarHBondContact O-CB 3.49Å; F169-V172 PolarHBondContact O-N 3.4Å; F169-V172 VanDerWaalsContact O-N 3.15Å; F169-I173 HydrophobicContact CD1-CG1 3.91Å; F169-I173 HydrophobicContact CE1-CD1 4.08Å; F169-I173 HydrophobicContact CE1-CG1 3.47Å; F169-I173 VanDerWaalsContact CE1-CG1 3.47Å; F169-I173 HydrophobicContact CE2-CD1 4.01Å; F169-I173 HydrophobicContact CE2-CG1 4.21Å; F169-I173 HydrophobicContact CG-CG1 4.46Å; F169-I173 HydrophobicContact CZ-CD1 3.68Å; F169-I173 HydrophobicContact CZ-CG1 3.64Å; F169-I173 WeakPolarHBondContact O-CG1 3.46Å; F169-I173 PolarHBondContact O-N 3.34Å; F169-L192 HydrophobicContact CE2-CD2 4.28Å; F169-M204 HydrophobicContact CD1-CB 4.39Å; F169-M204 HydrophobicContact CD1-CG 4.08Å; F169-M204 HydrophobicContact CD2-CE 4.47Å; F169-M204 HydrophobicContact CE1-CB 3.88Å; F169-M204 HydrophobicContact CE1-CG 3.99Å; F169-M204 HydrophobicContact CE2-CE 3.89Å; F169-M204 HydrophobicContact CG-CG 4.37Å; F169-M204 HydrophobicContact CZ-CB 4.14Å; F169-M204 HydrophobicContact CZ-CE 4.02Å; F169-M204 HydrophobicContact CZ-CG 4.21Å; F169-Y207 HydrophobicContact CD1-CD2 4.12Å; F169-L208 HydrophobicContact CE1-CG 4.19Å; F169-L208 HydrophobicContact CZ-CD1 4.27Å; F169-L208 HydrophobicContact CZ-CD2 4.05Å; F169-L208 HydrophobicContact CZ-CG 3.97Å
170	K	98.8	Very high	96.4	Very high	51 Å²	51	47.6 Å²	47.6	22%	0.222	23%	0.226	C	C	.	.	H	α-helix	trans	-51.6	-46.6	176.1	-169.2	-175.8	-158.5	149.6	0	113	L168 I173 R174 Y207 I211	L168-K170 VanDerWaalsContact C-N 3.26Å; L168-K170 PolarHBondContact O-N 3.34Å; K170-I173 PolarHBondContact O-N 3Å; K170-R174 WeakPolarHBondContact O-CG 3.4Å; K170-R174 PolarHBondContact O-N 2.72Å; K170-Y207 HydrophobicContact CB-CD2 3.9Å; K170-Y207 HydrophobicContact CB-CE2 3.69Å; K170-Y207 HydrophobicContact CB-CG 4.38Å; K170-Y207 HydrophobicContact CD-CE1 3.85Å; K170-Y207 HydrophobicContact CD-CE2 4.17Å; K170-Y207 HydrophobicContact CG-CD1 4.11Å; K170-Y207 HydrophobicContact CG-CD2 4.21Å; K170-Y207 HydrophobicContact CG-CE1 3.93Å; K170-Y207 HydrophobicContact CG-CE2 4Å; K170-Y207 HydrophobicContact CG-CG 4.25Å; K170-Y207 PolarHBondContact NZ-OH 3.14Å; K170-I211 HydrophobicContact CG-CD1 4Å
171	D	98.8	Very high	96.9	Very high	48 Å²	48	49 Å²	49	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-74.2	-32.3	-177.6	-65.1	-25.8	0	0	0	111.7	L129 L168 F169 R174 T175	L129-D171 HydrophobicContact CD1-CB 4.05Å; L129-D171 HydrophobicContact CD2-CB 3.99Å; L168-D171 HydrophobicContact CB-CB 4.4Å; L168-D171 PolarHBondContact O-N 3.24Å; F169-D171 VanDerWaalsContact C-N 3.3Å; F169-D171 PolarHBondContact O-N 3.46Å; D171-R174 PolarHBondContact O-N 3.34Å; D171-R174 IonicContact OD1-NH1 3.76Å; D171-R174 PolarHBondContact OD1-NH1 2.95Å; D171-T175 WeakPolarHBondContact O-CB 3.46Å; D171-T175 PolarHBondContact O-N 3.17Å; D171-T175 PolarHBondContact O-OG1 2.99Å
172	V	98.9	Very high	97.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-48.5	169.4	172.8	0	0	0	0	110.4	L129 Y132 I145 V157 I167 L168 F169 R174 T175 V176	L129-V172 HydrophobicContact CD2-CG2 3.94Å; Y132-V172 HydrophobicContact CD1-CG1 4.25Å; Y132-V172 HydrophobicContact CD2-CG1 3.96Å; Y132-V172 HydrophobicContact CD2-CG2 4.19Å; Y132-V172 HydrophobicContact CE1-CG1 3.87Å; Y132-V172 HydrophobicContact CE2-CB 4.21Å; Y132-V172 HydrophobicContact CE2-CG1 3.54Å; Y132-V172 HydrophobicContact CE2-CG2 3.61Å; Y132-V172 HydrophobicContact CG-CG1 4.28Å; Y132-V172 VanDerWaalsContact CZ-CG1 3.49Å; I145-V172 HydrophobicContact CD1-CG1 3.92Å; I145-V172 HydrophobicContact CG1-CG1 4.33Å; I145-V172 HydrophobicContact CG2-CG1 4.39Å; V157-V172 HydrophobicContact CB-CG2 4.46Å; V157-V172 HydrophobicContact CG2-CG2 4.16Å; I167-V172 HydrophobicContact CD1-CG2 3.51Å; I167-V172 HydrophobicContact CG1-CG2 3.9Å; L168-V172 PolarHBondContact O-N 2.73Å; F169-V172 WeakPolarHBondContact O-CB 3.49Å; F169-V172 PolarHBondContact O-N 3.4Å; F169-V172 VanDerWaalsContact O-N 3.15Å; V172-R174 PolarHBondContact O-N 3.17Å; V172-T175 WeakPolarHBondContact O-CB 3.15Å; V172-T175 PolarHBondContact O-N 3.31Å; V172-V176 WeakPolarHBondContact O-CG2 3.33Å; V172-V176 PolarHBondContact O-N 2.77Å
173	I	98.9	Very high	97.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-39.6	-180	-60.5	-47.7	0	0	0	111.6	I145 F169 K170 T175 V176 E177 L190 L208 I211 L212	I145-I173 HydrophobicContact CD1-CD1 3.96Å; F169-I173 HydrophobicContact CD1-CG1 3.91Å; F169-I173 HydrophobicContact CE1-CD1 4.08Å; F169-I173 HydrophobicContact CE1-CG1 3.47Å; F169-I173 VanDerWaalsContact CE1-CG1 3.47Å; F169-I173 HydrophobicContact CE2-CD1 4.01Å; F169-I173 HydrophobicContact CE2-CG1 4.21Å; F169-I173 HydrophobicContact CG-CG1 4.46Å; F169-I173 HydrophobicContact CZ-CD1 3.68Å; F169-I173 HydrophobicContact CZ-CG1 3.64Å; F169-I173 WeakPolarHBondContact O-CG1 3.46Å; F169-I173 PolarHBondContact O-N 3.34Å; K170-I173 PolarHBondContact O-N 3Å; I173-T175 PolarHBondContact O-N 2.8Å; I173-V176 PolarHBondContact O-N 2.84Å; I173-E177 WeakPolarHBondContact O-CB 3.26Å; I173-E177 PolarHBondContact O-N 3.37Å; I173-L190 HydrophobicContact CD1-CD1 4.09Å; I173-L208 HydrophobicContact CD1-CD2 3.6Å; I173-L208 HydrophobicContact CG1-CD2 4.03Å; I173-L208 HydrophobicContact CG2-CD2 4.38Å; I173-I211 HydrophobicContact CB-CD1 4.11Å; I173-I211 HydrophobicContact CG2-CB 3.82Å; I173-I211 HydrophobicContact CG2-CD1 4Å; I173-I211 HydrophobicContact CG2-CG2 3.86Å; I173-L212 HydrophobicContact CG2-CD1 4.25Å; I173-L212 HydrophobicContact CG2-CD2 3.62Å; I173-L212 HydrophobicContact CG2-CG 3.69Å
174	R	98.9	Very high	98.1	Very high	111 Å²	111	43.9 Å²	43.9	42%	0.419	21%	0.212	S	C	.	.	H	α-helix	trans	-60	-43.9	172.2	-74.7	172.7	173.7	163.8	-10.4	112.5	K170 D171 V172 V176 E177 Q178 I211	K170-R174 WeakPolarHBondContact O-CG 3.4Å; K170-R174 PolarHBondContact O-N 2.72Å; D171-R174 PolarHBondContact O-N 3.34Å; D171-R174 IonicContact OD1-NH1 3.76Å; D171-R174 PolarHBondContact OD1-NH1 2.95Å; V172-R174 PolarHBondContact O-N 3.17Å; R174-V176 VanDerWaalsContact C-N 3.34Å; R174-V176 PolarHBondContact O-N 3.01Å; R174-E177 WeakPolarHBondContact O-CB 3.28Å; R174-E177 PolarHBondContact O-N 2.96Å; R174-Q178 WeakPolarHBondContact O-CG 3.25Å; R174-Q178 PolarHBondContact O-N 3.45Å; R174-I211 HydrophobicContact CB-CG2 4.43Å; R174-I211 HydrophobicContact CG-CD1 4.08Å; R174-I211 HydrophobicContact CG-CG1 4.43Å; R174-I211 HydrophobicContact CG-CG2 3.84Å
175	T	98.8	Very high	98.4	Very high	12 Å²	12	44.7 Å²	44.7	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-43.6	177.7	-56.5	0	0	0	0	110.8	L129 V133 D171 V172 I173 Q178 H179	L129-T175 HydrophobicContact CB-CG2 4.45Å; V133-T175 HydrophobicContact CG2-CG2 3.47Å; V133-T175 VanDerWaalsContact CG2-CG2 3.47Å; D171-T175 WeakPolarHBondContact O-CB 3.46Å; D171-T175 PolarHBondContact O-N 3.17Å; D171-T175 PolarHBondContact O-OG1 2.99Å; V172-T175 WeakPolarHBondContact O-CB 3.15Å; V172-T175 PolarHBondContact O-N 3.31Å; I173-T175 PolarHBondContact O-N 2.8Å; T175-Q178 PolarHBondContact O-N 3.26Å; T175-H179 PolarHBondContact O-CD2 3.15Å; T175-H179 VanDerWaalsContact O-CD2 3.23Å; T175-H179 PolarHBondContact O-N 3.35Å
176	V	98.8	Very high	98.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-44.5	176.1	170.8	0	0	0	0	111.2	Y132 L143 V172 I173 R174 Q178 H179 A180 L190 I239	Y132-V176 HydrophobicContact CD1-CG2 4.45Å; L143-V176 HydrophobicContact CD1-CG2 3.92Å; V172-V176 WeakPolarHBondContact O-CG2 3.33Å; V172-V176 PolarHBondContact O-N 2.77Å; I173-V176 PolarHBondContact O-N 2.84Å; R174-V176 VanDerWaalsContact C-N 3.34Å; R174-V176 PolarHBondContact O-N 3.01Å; V176-Q178 PolarHBondContact O-N 2.79Å; V176-H179 PolarHBondContact O-N 3.36Å; V176-A180 HydrophobicContact CG1-CB 4.33Å; V176-A180 WeakPolarHBondContact O-CA 3.47Å; V176-A180 WeakPolarHBondContact O-CB 3.3Å; V176-A180 PolarHBondContact O-N 3.42Å; V176-L190 HydrophobicContact CG1-CD1 4.39Å; V176-L190 HydrophobicContact CG1-CD2 4.06Å; V176-L190 HydrophobicContact CG2-CD2 4.4Å; V176-I239 HydrophobicContact CG1-CD1 4.16Å
177	E	98.6	Very high	98.6	Very high	56 Å²	56	37 Å²	37	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-53.8	-42.9	179.2	-170.3	-78	147.6	0	0	112.6	I173 R174 I211 L212 K215	I173-E177 WeakPolarHBondContact O-CB 3.26Å; I173-E177 PolarHBondContact O-N 3.37Å; R174-E177 WeakPolarHBondContact O-CB 3.28Å; R174-E177 PolarHBondContact O-N 2.96Å; E177-I211 HydrophobicContact CB-CG2 3.99Å; E177-I211 HydrophobicContact CG-CG2 4.16Å; E177-I211 WeakPolarHBondContact CG-O 3.49Å; E177-L212 HydrophobicContact CB-CD2 3.84Å; E177-L212 HydrophobicContact CG-CD2 4.28Å; E177-K215 PolarHBondContact O-NZ 3.16Å; E177-K215 IonicContact OE1-NZ 3.37Å; E177-K215 PolarHBondContact OE1-NZ 2.71Å
178	Q	98.4	Very high	98.6	Very high	118 Å²	118	35.9 Å²	35.9	55%	0.551	17%	0.174	S	C	*	.	H	α-helix	trans	-69.9	-46.1	-179	-70.3	171.4	-7.5	0	0	111.7	R174 T175 V176	R174-Q178 WeakPolarHBondContact O-CG 3.25Å; R174-Q178 PolarHBondContact O-N 3.45Å; T175-Q178 PolarHBondContact O-N 3.26Å; V176-Q178 PolarHBondContact O-N 2.79Å
179	H	98.7	Very high	98.6	Very high	37 Å²	37	32.6 Å²	32.6	17%	0.171	16%	0.157	C	C	.	.	H	α-helix	trans	-102.8	-9.8	-167	-64.5	-71.5	0	0	0	115.1	L136 T175 V176 F181 E182	L136-H179 HydrophobicContact CB-CB 4.41Å; L136-H179 HydrophobicContact CD1-CB 3.77Å; T175-H179 PolarHBondContact O-CD2 3.15Å; T175-H179 VanDerWaalsContact O-CD2 3.23Å; T175-H179 PolarHBondContact O-N 3.35Å; V176-H179 PolarHBondContact O-N 3.36Å; H179-F181 PolarHBondContact O-N 3.33Å; H179-E182 IonicContact CE1-OE1 3.78Å; H179-E182 PolarHBondContact CE1-OE1 2.91Å; H179-E182 IonicContact CE1-OE2 3.99Å; H179-E182 IonicContact CG-OE1 2.7Å; H179-E182 IonicContact CG-OE2 3.15Å; H179-E182 IonicContact ND1-OE1 3.07Å; H179-E182 PolarHBondContact ND1-OE1 2.88Å; H179-E182 IonicContact ND1-OE2 3.27Å; H179-E182 PolarHBondContact ND1-OE2 2.63Å; H179-E182 PolarHBondContact O-N 2.81Å
180	A	98.4	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-39.4	-170.4	0	0	0	0	0	113.2	R141 V176 V188 I239	R141-A180 VanDerWaalsContact CZ-O 3.28Å; R141-A180 PolarHBondContact NH1-O 2.82Å; R141-A180 PolarHBondContact NH2-O 3.48Å; V176-A180 HydrophobicContact CG1-CB 4.33Å; V176-A180 WeakPolarHBondContact O-CA 3.47Å; V176-A180 WeakPolarHBondContact O-CB 3.3Å; V176-A180 PolarHBondContact O-N 3.42Å; A180-V188 HydrophobicContact CB-CG2 4.1Å; A180-I239 HydrophobicContact CB-CD1 4.15Å
181	F	98.6	Very high	98.6	Very high	32 Å²	32	30.3 Å²	30.3	14%	0.14	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	16	-170.7	-51.6	-69.5	0	0	0	114.8	H179 V183 S184 Y186 V188 K215 Y237 I239	H179-F181 PolarHBondContact O-N 3.33Å; F181-V183 VanDerWaalsContact C-N 3.33Å; F181-V183 PolarHBondContact O-N 2.82Å; F181-S184 CarbonylContact C-O 3.44Å; F181-S184 WeakPolarHBondContact CA-O 3.22Å; F181-Y186 WeakPolarHBondContact CE1-O 3.16Å; F181-V188 HydrophobicContact CE1-CG2 4.11Å; F181-K215 HydrophobicContact CD2-CD 4.33Å; F181-K215 HydrophobicContact CE2-CB 4.2Å; F181-K215 HydrophobicContact CE2-CD 4.06Å; F181-K215 HydrophobicContact CE2-CG 4.07Å; F181-Y237 HydrophobicContact CB-CD1 3.91Å; F181-Y237 HydrophobicContact CB-CE1 4.22Å; F181-Y237 HydrophobicContact CD1-CD1 4.16Å; F181-Y237 HydrophobicContact CD2-CD1 4.28Å; F181-Y237 WeakPolarHBondContact CE2-O 3.48Å; F181-Y237 AromaticContact CG-CD1 3.85Å; F181-Y237 HydrophobicContact CG-CD1 3.85Å; F181-Y237 WeakPolarHBondContact CZ-O 3.5Å; F181-I239 HydrophobicContact CE2-CD1 4.24Å; F181-I239 HydrophobicContact CE2-CG1 4.01Å; F181-I239 HydrophobicContact CZ-CD1 4.42Å; F181-I239 HydrophobicContact CZ-CG1 3.72Å
182	E	98	Very high	98.6	Very high	105 Å²	105	28.4 Å²	28.4	49%	0.491	14%	0.137	S	C	.	.	S	Bend	trans	-63	-37.6	-178.1	-75.5	-177.8	169.2	0	0	113.4	L137 H179	L137-E182 VanDerWaalsContact CD2-OE2 3.27Å; L137-E182 WeakPolarHBondContact CD2-OE2 3.48Å; H179-E182 IonicContact CE1-OE1 3.78Å; H179-E182 PolarHBondContact CE1-OE1 2.91Å; H179-E182 IonicContact CE1-OE2 3.99Å; H179-E182 IonicContact CG-OE1 2.7Å; H179-E182 IonicContact CG-OE2 3.15Å; H179-E182 IonicContact ND1-OE1 3.07Å; H179-E182 PolarHBondContact ND1-OE1 2.88Å; H179-E182 IonicContact ND1-OE2 3.27Å; H179-E182 PolarHBondContact ND1-OE2 2.63Å; H179-E182 PolarHBondContact O-N 2.81Å
183	V	97.4	Very high	98.5	Very high	60 Å²	60	32.2 Å²	32.2	36%	0.364	16%	0.155	S	C	.	.	S	Bend	trans	-116.2	-3.3	-175.2	-58.6	0	0	0	0	113.5	L136 L137 Q139 F181	L136-V183 WeakPolarHBondContact O-CG2 3.33Å; L137-V183 HydrophobicContact CD2-CG1 3.95Å; Q139-V183 HydrophobicContact CG-CG2 4.32Å; F181-V183 VanDerWaalsContact C-N 3.33Å; F181-V183 PolarHBondContact O-N 2.82Å
184	S	98.4	Very high	98.2	Very high	10 Å²	10	33 Å²	33	7%	0.07	16%	0.159	C	C	.	.			trans	-159.1	134.1	178.8	172.7	0	0	0	0	110.5	R141 F181 Y186 C421	R141-S184 PolarHBondContact NH1-O 2.72Å; F181-S184 CarbonylContact C-O 3.44Å; F181-S184 WeakPolarHBondContact CA-O 3.22Å; S184-Y186 VanDerWaalsContact C-N 3.28Å; S184-Y186 PolarHBondContact OG-N 3.11Å; S184-C421 WeakPolarHBondContact CB-O 3.24Å; S184-C421 PolarHBondContact OG-O 2.97Å
185	A	98.4	Very high	98.1	Very high	24 Å²	24	29.6 Å²	29.6	20%	0.198	15%	0.148	C	C	.	.			trans	-77	-13.4	175.9	0	0	0	0	0	113.4	M236 Y237	A185-M236 CarbonylContact O-C 3.51Å; A185-M236 WeakPolarHBondContact O-CA 3.32Å; A185-Y237 HydrophobicContact CB-CD1 4.38Å; A185-Y237 HydrophobicContact CB-CE1 3.63Å; A185-Y237 HydrophobicContact CB-CE2 4.08Å; A185-Y237 VanDerWaalsContact CB-CZ 3.46Å; A185-Y237 WeakPolarHBondContact CB-OH 3.21Å; A185-Y237 PolarHBondContact O-N 3.04Å
186	Y	98.9	Very high	98	Very high	21 Å²	21	29 Å²	29	8%	0.082	15%	0.145	C	C	.	.	S	Bend	trans	-78.2	156	-171.4	-70.5	-63.4	0	0	0	113.6	V97 M101 R141 F181 S184 P232 N233 M236 C421 Y423	V97-Y186 HydrophobicContact CG1-CE2 4.39Å; V97-Y186 HydrophobicContact CG2-CE2 3.92Å; M101-Y186 HydrophobicContact CB-CE1 4.16Å; M101-Y186 HydrophobicContact CE-CD1 4.28Å; M101-Y186 HydrophobicContact CE-CD2 4.26Å; M101-Y186 HydrophobicContact CE-CE1 3.89Å; M101-Y186 HydrophobicContact CE-CE2 3.86Å; M101-Y186 HydrophobicContact CE-CG 4.46Å; M101-Y186 HydrophobicContact CG-CE1 4.4Å; M101-Y186 WeakPolarHBondContact CG-OH 3.26Å; R141-Y186 PolarHBondContact NH1-O 2.86Å; F181-Y186 WeakPolarHBondContact CE1-O 3.16Å; S184-Y186 VanDerWaalsContact C-N 3.28Å; S184-Y186 PolarHBondContact OG-N 3.11Å; Y186-P232 HydrophobicContact CD1-CB 3.42Å; Y186-P232 VanDerWaalsContact CD1-CB 3.42Å; Y186-P232 WeakPolarHBondContact CD1-O 3.42Å; Y186-P232 HydrophobicContact CE1-CB 3.78Å; Y186-P232 HydrophobicContact CG-CB 4.25Å; Y186-N233 WeakPolarHBondContact CE1-OD1 3.44Å; Y186-N233 PolarHBondContact OH-OD1 2.77Å; Y186-M236 HydrophobicContact CD1-CG 4.22Å; Y186-M236 HydrophobicContact CE1-CG 4.25Å; Y186-C421 HydrophobicContact CD2-CB 3.54Å; Y186-C421 HydrophobicContact CE2-CB 3.68Å; Y186-Y423 VanDerWaalsContact CB-CD2 3.49Å; Y186-Y423 HydrophobicContact CG-CD2 4.13Å
187	P	98.8	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.			trans	-56.1	147.7	-168.6	17.3	-32.9	0	0	0	114.7	L105 P232 L235 K238 L240 Y423	L105-P187 HydrophobicContact CD2-CG 4.37Å; P187-P232 WeakPolarHBondContact CD-O 3.26Å; P187-L235 HydrophobicContact CB-CB 3.81Å; P187-L235 WeakPolarHBondContact CB-O 3.41Å; P187-L235 WeakPolarHBondContact CD-O 3.37Å; P187-L235 HydrophobicContact CG-CB 3.64Å; P187-L235 HydrophobicContact CG-CD1 4.39Å; P187-K238 WeakPolarHBondContact CA-O 3.38Å; P187-L240 HydrophobicContact CB-CD1 3.75Å; P187-Y423 HydrophobicContact CG-CE2 4.18Å; P187-Y423 WeakPolarHBondContact O-CE2 3.35Å; P187-Y423 PolarHBondContact O-OH 2.8Å
188	V	98.9	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.2	171.4	175	0	0	0	0	109.9	L136 R141 L143 A180 F181 L190 K238 I239 L240	L136-V188 HydrophobicContact CD2-CG2 4.32Å; R141-V188 CarbonylContact O-C 3.23Å; R141-V188 VanDerWaalsContact O-CA 3.29Å; R141-V188 WeakPolarHBondContact O-CA 3.35Å; L143-V188 HydrophobicContact CD1-CG1 4.21Å; L143-V188 HydrophobicContact CG-CG1 4.49Å; A180-V188 HydrophobicContact CB-CG2 4.1Å; F181-V188 HydrophobicContact CE1-CG2 4.11Å; V188-L190 HydrophobicContact CG1-CD2 4.03Å; V188-K238 PolarHBondContact N-O 2.9Å; V188-I239 HydrophobicContact CB-CG1 4.38Å; V188-I239 CarbonylContact O-C 3.48Å; V188-I239 VanDerWaalsContact O-CA 3.23Å; V188-I239 WeakPolarHBondContact O-CA 3.4Å; V188-L240 PolarHBondContact O-N 2.94Å
189	I	98.9	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.9	175.8	-58.1	168.8	0	0	0	108.7	R141 C142 L143 L240 K242 T322 L396	R141-I189 PolarHBondContact O-N 2.91Å; C142-I189 CarbonylContact C-O 3.58Å; C142-I189 VanDerWaalsContact CA-O 3.28Å; C142-I189 WeakPolarHBondContact CA-O 3.19Å; C142-I189 HydrophobicContact CB-CB 4.1Å; L143-I189 PolarHBondContact N-O 2.86Å; I189-L240 WeakPolarHBondContact CA-O 3.33Å; I189-L240 HydrophobicContact CG1-CB 4.39Å; I189-K242 HydrophobicContact CG2-CB 3.76Å; I189-T322 HydrophobicContact CG2-CG2 4.46Å; I189-L396 HydrophobicContact CD1-CD2 4.24Å
190	L	98.9	Very high	97.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	106.5	170.1	-55.4	-175.3	0	0	0	109	L143 I145 I173 V176 V188 L192 L208 L212 I239 L240 I241 K242	L143-L190 HydrophobicContact CB-CD2 4.13Å; L143-L190 HydrophobicContact CD1-CD2 4Å; L143-L190 HydrophobicContact CG-CD2 4.47Å; I145-L190 HydrophobicContact CD1-CB 4.37Å; I145-L190 HydrophobicContact CD1-CD1 4.3Å; I145-L190 HydrophobicContact CD1-CD2 4.33Å; I173-L190 HydrophobicContact CD1-CD1 4.09Å; V176-L190 HydrophobicContact CG1-CD1 4.39Å; V176-L190 HydrophobicContact CG1-CD2 4.06Å; V176-L190 HydrophobicContact CG2-CD2 4.4Å; V188-L190 HydrophobicContact CG1-CD2 4.03Å; L190-L192 HydrophobicContact CB-CD2 4.38Å; L190-L192 PolarHBondContact O-N 2.99Å; L190-L208 HydrophobicContact CD1-CD2 4.23Å; L190-L212 HydrophobicContact CD1-CD1 4.27Å; L190-I239 HydrophobicContact CD1-CG2 3.73Å; L190-I239 HydrophobicContact CG-CG2 3.68Å; L190-L240 PolarHBondContact N-O 3.17Å; L190-I241 HydrophobicContact CB-CD1 4.14Å; L190-I241 HydrophobicContact CD1-CD1 4.12Å; L190-I241 HydrophobicContact CG-CD1 4.47Å; L190-K242 PolarHBondContact O-N 3.36Å
191	S	98.8	Very high	97.6	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	101.8	174.1	-176.5	0	0	0	0	109.6	L143 E144 I145 K242	L143-S191 PolarHBondContact O-N 2.92Å; E144-S191 WeakPolarHBondContact CA-O 3.44Å; I145-S191 PolarHBondContact N-O 2.77Å; S191-K242 PolarHBondContact OG-NZ 2.83Å
192	L	98.3	Very high	97.6	Very high	8 Å²	8	35 Å²	35	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.1	179	-52.6	-175.6	0	0	0	110.1	I145 F169 L190 M204 L208 I241 K242 N243 L315	I145-L192 HydrophobicContact CB-CD2 3.97Å; I145-L192 HydrophobicContact CD1-CD2 4.03Å; I145-L192 HydrophobicContact CG1-CD2 4.35Å; I145-L192 WeakPolarHBondContact O-CA 3.34Å; F169-L192 HydrophobicContact CE2-CD2 4.28Å; L190-L192 HydrophobicContact CB-CD2 4.38Å; L190-L192 PolarHBondContact O-N 2.99Å; L192-M204 HydrophobicContact CD1-CE 4.08Å; L192-L208 HydrophobicContact CD1-CD1 4.2Å; L192-I241 HydrophobicContact CD1-CG2 3.6Å; L192-I241 HydrophobicContact CG-CG2 4.1Å; L192-K242 PolarHBondContact N-O 2.78Å; L192-N243 HydrophobicContact CB-CB 4.33Å; L192-L315 HydrophobicContact CD1-CD1 3.98Å
193	E	95.7	Very high	97.6	Very high	80 Å²	80	31.2 Å²	31.2	37%	0.374	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	93.2	162.8	-162	178.2	129.6	0	0	108.5	I145 D146 C147 H195	I145-E193 PolarHBondContact O-N 2.86Å; D146-E193 HydrophobicContact CB-CB 4.46Å; D146-E193 WeakPolarHBondContact OD1-CB 3.36Å; C147-E193 PolarHBondContact N-O 2.99Å; E193-H195 WeakPolarHBondContact CG-NE2 3.07Å; E193-H195 PolarHBondContact O-CD2 3.28Å; E193-H195 IonicContact OE1-CD2 3.45Å; E193-H195 IonicContact OE1-CE1 2.74Å; E193-H195 PolarHBondContact OE1-CE1 2.89Å; E193-H195 IonicContact OE1-NE2 3.52Å; E193-H195 PolarHBondContact OE1-NE2 3.04Å
194	N	94.4	Very high	97.7	Very high	16 Å²	16	28.3 Å²	28.3	9%	0.086	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115	-168.1	176.7	24.7	0	0	0	112.9	C196 Q201	N194-C196 PolarHBondContact OD1-N 3.3Å; N194-Q201 PolarHBondContact ND2-NE2 2.81Å; N194-Q201 PolarHBondContact ND2-OE1 3.09Å
195	H	95.9	Very high	97.7	Very high	39 Å²	39	28 Å²	28	18%	0.181	14%	0.143	C	C	.	.			trans	-117.7	7.7	174.4	-58.9	-80.7	0	0	0	113.3	C147 W148 E193	C147-H195 WeakPolarHBondContact O-CA 3.06Å; C147-H195 WeakPolarHBondContact O-CB 3.11Å; C147-H195 PolarHBondContact O-N 3.13Å; W148-H195 HydrophobicContact CD2-CB 3.64Å; W148-H195 AromaticContact CE2-CD2 3.37Å; W148-H195 AromaticContact CE2-CG 3.64Å; W148-H195 HydrophobicContact CE3-CB 3.59Å; W148-H195 HydrophobicContact CG-CB 4.28Å; W148-H195 HydrophobicContact CH2-CB 3.82Å; W148-H195 AromaticContact CH2-CD2 3.93Å; W148-H195 AromaticContact CH2-CG 3.55Å; W148-H195 AromaticContact CH2-ND1 3.67Å; W148-H195 HydrophobicContact CZ2-CB 3.88Å; W148-H195 AromaticContact CZ2-CD2 3.25Å; W148-H195 WeakPolarHBondContact CZ2-CD2 3.46Å; W148-H195 AromaticContact CZ2-CE1 3.82Å; W148-H195 AromaticContact CZ2-CG 3.37Å; W148-H195 AromaticContact CZ2-ND1 3.77Å; W148-H195 AromaticContact CZ2-NE2 3.53Å; W148-H195 HydrophobicContact CZ3-CB 3.69Å; W148-H195 AromaticContact CZ3-CG 3.97Å; W148-H195 AromaticContact NE1-CD2 3.63Å; E193-H195 WeakPolarHBondContact CG-NE2 3.07Å; E193-H195 PolarHBondContact O-CD2 3.28Å; E193-H195 IonicContact OE1-CD2 3.45Å; E193-H195 IonicContact OE1-CE1 2.74Å; E193-H195 PolarHBondContact OE1-CE1 2.89Å; E193-H195 IonicContact OE1-NE2 3.52Å; E193-H195 PolarHBondContact OE1-NE2 3.04Å
196	C	96.6	Very high	97.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	16%	0.161	C	C	.	.			trans	-77.3	154	-177.8	-64.5	0	0	0	0	112.4	C147 W148 D149 N194 Q200 Q201 M204 V309	C147-C196 PolarHBondContact O-SG 3.45Å; W148-C196 VanDerWaalsContact CA-SG 3.6Å; W148-C196 PolarHBondContact N-SG 2.97Å; W148-C196 VanDerWaalsContact N-SG 3.44Å; D149-C196 WeakPolarHBondContact OD1-CA 3.36Å; D149-C196 WeakPolarHBondContact OD1-CB 3.26Å; N194-C196 PolarHBondContact OD1-N 3.3Å; C196-Q200 HydrophobicContact CB-CB 4.03Å; C196-Q201 HydrophobicContact CB-CG 3.89Å; C196-Q201 PolarHBondContact O-NE2 3.08Å; C196-M204 HydrophobicContact CB-SD 4.06Å; C196-M204 VanDerWaalsContact SG-SD 3.66Å; C196-V309 VanDerWaalsContact O-CG1 3.26Å; C196-V309 WeakPolarHBondContact O-CG1 3.47Å
197	C	96	Very high	97.7	Very high	50 Å²	50	32.7 Å²	32.7	34%	0.338	16%	0.161	S	C	.	.			trans	-65.3	166.8	167.6	77.3	0	0	0	0	111.4	D149 E199 Q200 Q201	D149-C197 PolarHBondContact OD1-N 2.97Å; D149-C197 PolarHBondContact OD2-N 3.34Å; C197-E199 VanDerWaalsContact C-N 3.29Å; C197-E199 PolarHBondContact O-N 2.81Å; C197-Q200 PolarHBondContact O-N 2.8Å; C197-Q200 PolarHBondContact SG-N 3.12Å; C197-Q200 VanDerWaalsContact SG-N 3.44Å; C197-Q201 VanDerWaalsContact O-CG 3.25Å; C197-Q201 WeakPolarHBondContact O-CG 3.15Å; C197-Q201 PolarHBondContact O-N 2.84Å
198	E	95.8	Very high	97.7	Very high	76 Å²	76	32.7 Å²	32.7	36%	0.355	16%	0.161	S	C	.	.	H	α-helix	trans	-60.4	-38.6	-176.5	-166.8	164.2	-170.7	0	0	111.9	Q201 E202 K310 A312	E198-Q201 WeakPolarHBondContact O-CB 3.29Å; E198-Q201 PolarHBondContact O-N 2.92Å; E198-E202 PolarHBondContact O-N 3.33Å; E198-E202 VanDerWaalsContact O-N 3.15Å; E198-K310 VanDerWaalsContact CD-NZ 3.3Å; E198-K310 IonicContact OE1-NZ 3.96Å; E198-K310 PolarHBondContact OE1-NZ 3.38Å; E198-K310 IonicContact OE2-NZ 3.47Å; E198-K310 PolarHBondContact OE2-NZ 3.07Å; E198-A312 HydrophobicContact CG-CB 3.88Å
199	E	96.6	Very high	97.7	Very high	120 Å²	120	35.4 Å²	35.4	56%	0.561	18%	0.177	S	C	*	.	H	α-helix	trans	-62.4	-50.7	176.8	-178.6	179.2	-165.8	0	0	112.4	C197 Q201 E202 V203	C197-E199 VanDerWaalsContact C-N 3.29Å; C197-E199 PolarHBondContact O-N 2.81Å; E199-Q201 VanDerWaalsContact C-N 3.27Å; E199-Q201 PolarHBondContact O-N 2.96Å; E199-E202 WeakPolarHBondContact O-CB 3.43Å; E199-E202 PolarHBondContact O-N 3.34Å; E199-V203 PolarHBondContact O-N 2.94Å
200	Q	98.1	Very high	97.7	Very high	13 Å²	13	39.1 Å²	39.1	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-69.9	-24.5	178.6	-72.9	-159.5	34.9	0	0	112.6	D149 G150 P155 C196 C197 E202 V203 M204	D149-Q200 VanDerWaalsContact CA-OE1 3.26Å; G150-Q200 PolarHBondContact O-NE2 2.85Å; P155-Q200 VanDerWaalsContact CA-OE1 3.27Å; P155-Q200 HydrophobicContact CG-CB 4.12Å; P155-Q200 WeakPolarHBondContact CG-O 3.28Å; C196-Q200 HydrophobicContact CB-CB 4.03Å; C197-Q200 PolarHBondContact O-N 2.8Å; C197-Q200 PolarHBondContact SG-N 3.12Å; C197-Q200 VanDerWaalsContact SG-N 3.44Å; Q200-E202 VanDerWaalsContact C-N 3.33Å; Q200-V203 PolarHBondContact O-N 3.36Å; Q200-M204 VanDerWaalsContact O-CG 3.29Å; Q200-M204 WeakPolarHBondContact O-CG 3.09Å; Q200-M204 PolarHBondContact O-N 2.86Å
201	Q	98.3	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-30.3	169.3	-72.1	176.5	55.2	0	0	113.1	N194 C196 C197 E198 E199 M204 A205 K310 A312 L315	N194-Q201 PolarHBondContact ND2-NE2 2.81Å; N194-Q201 PolarHBondContact ND2-OE1 3.09Å; C196-Q201 HydrophobicContact CB-CG 3.89Å; C196-Q201 PolarHBondContact O-NE2 3.08Å; C197-Q201 VanDerWaalsContact O-CG 3.25Å; C197-Q201 WeakPolarHBondContact O-CG 3.15Å; C197-Q201 PolarHBondContact O-N 2.84Å; E198-Q201 WeakPolarHBondContact O-CB 3.29Å; E198-Q201 PolarHBondContact O-N 2.92Å; E199-Q201 VanDerWaalsContact C-N 3.27Å; E199-Q201 PolarHBondContact O-N 2.96Å; Q201-M204 HydrophobicContact CG-SD 4.42Å; Q201-M204 PolarHBondContact O-N 2.84Å; Q201-A205 PolarHBondContact O-N 2.95Å; Q201-K310 PolarHBondContact NE2-O 3.46Å; Q201-A312 HydrophobicContact CB-CB 3.57Å; Q201-L315 HydrophobicContact CB-CD2 4.14Å; Q201-L315 HydrophobicContact CG-CD2 4.05Å
202	E	98.1	Very high	97.7	Very high	108 Å²	108	40.7 Å²	40.7	51%	0.505	21%	0.211	S	C	.	.	H	α-helix	trans	-66.7	-43.7	171.4	-68.8	-178.6	179.4	0	0	110.5	E198 E199 Q200 M204 A205 E206 A312	E198-E202 PolarHBondContact O-N 3.33Å; E198-E202 VanDerWaalsContact O-N 3.15Å; E199-E202 WeakPolarHBondContact O-CB 3.43Å; E199-E202 PolarHBondContact O-N 3.34Å; Q200-E202 VanDerWaalsContact C-N 3.33Å; E202-M204 VanDerWaalsContact C-N 3.34Å; E202-M204 PolarHBondContact O-N 3.23Å; E202-A205 PolarHBondContact O-N 3.24Å; E202-A205 VanDerWaalsContact O-N 3.12Å; E202-E206 PolarHBondContact O-N 3.34Å; E202-A312 HydrophobicContact CG-CB 4.34Å
203	V	98.6	Very high	97.7	Very high	26 Å²	26	41.4 Å²	41.4	16%	0.158	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-43.2	173.1	179.3	0	0	0	0	111.4	P155 E199 Q200 A205 E206 Y207	P155-V203 HydrophobicContact CG-CB 4.22Å; P155-V203 HydrophobicContact CG-CG1 4.09Å; E199-V203 PolarHBondContact O-N 2.94Å; Q200-V203 PolarHBondContact O-N 3.36Å; V203-A205 VanDerWaalsContact C-N 3.34Å; V203-A205 PolarHBondContact O-N 2.92Å; V203-E206 PolarHBondContact O-N 3.3Å; V203-Y207 HydrophobicContact CG1-CD2 3.85Å; V203-Y207 HydrophobicContact CG1-CE2 3.43Å; V203-Y207 VanDerWaalsContact CG1-CE2 3.43Å; V203-Y207 PolarHBondContact O-N 3.37Å
204	M	98.8	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.1	-45.1	173.5	-70.9	170.8	61	0	0	112	C147 P155 F169 L192 C196 Q200 Q201 E202 E206 Y207 L208 L315	C147-M204 HydrophobicContact CB-CE 3.55Å; C147-M204 HydrophobicContact CB-SD 3.8Å; C147-M204 WeakPolarHBondContact SG-CE 3.44Å; P155-M204 HydrophobicContact CB-CG 3.84Å; P155-M204 HydrophobicContact CB-SD 4.48Å; P155-M204 HydrophobicContact CG-CG 3.65Å; F169-M204 HydrophobicContact CD1-CB 4.39Å; F169-M204 HydrophobicContact CD1-CG 4.08Å; F169-M204 HydrophobicContact CD2-CE 4.47Å; F169-M204 HydrophobicContact CE1-CB 3.88Å; F169-M204 HydrophobicContact CE1-CG 3.99Å; F169-M204 HydrophobicContact CE2-CE 3.89Å; F169-M204 HydrophobicContact CG-CG 4.37Å; F169-M204 HydrophobicContact CZ-CB 4.14Å; F169-M204 HydrophobicContact CZ-CE 4.02Å; F169-M204 HydrophobicContact CZ-CG 4.21Å; L192-M204 HydrophobicContact CD1-CE 4.08Å; C196-M204 HydrophobicContact CB-SD 4.06Å; C196-M204 VanDerWaalsContact SG-SD 3.66Å; Q200-M204 VanDerWaalsContact O-CG 3.29Å; Q200-M204 WeakPolarHBondContact O-CG 3.09Å; Q200-M204 PolarHBondContact O-N 2.86Å; Q201-M204 HydrophobicContact CG-SD 4.42Å; Q201-M204 PolarHBondContact O-N 2.84Å; E202-M204 VanDerWaalsContact C-N 3.34Å; E202-M204 PolarHBondContact O-N 3.23Å; M204-E206 VanDerWaalsContact C-N 3.35Å; M204-Y207 PolarHBondContact O-N 3.37Å; M204-L208 WeakPolarHBondContact O-CB 3.37Å; M204-L208 VanDerWaalsContact O-CG 3.27Å; M204-L208 WeakPolarHBondContact O-CG 3.45Å; M204-L208 PolarHBondContact O-N 3.12Å; M204-L315 HydrophobicContact CE-CD2 4.05Å
205	A	98.6	Very high	98	Very high	4 Å²	4	46 Å²	46	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-37.7	179.7	0	0	0	0	0	112	Q201 E202 V203 T209 A314 L315 L318	Q201-A205 PolarHBondContact O-N 2.95Å; E202-A205 PolarHBondContact O-N 3.24Å; E202-A205 VanDerWaalsContact O-N 3.12Å; V203-A205 VanDerWaalsContact C-N 3.34Å; V203-A205 PolarHBondContact O-N 2.92Å; A205-T209 WeakPolarHBondContact O-CB 3.47Å; A205-T209 PolarHBondContact O-N 3.09Å; A205-T209 PolarHBondContact O-OG1 2.92Å; A205-A314 HydrophobicContact CB-CB 3.71Å; A205-L315 HydrophobicContact CB-CB 4.35Å; A205-L315 HydrophobicContact CB-CD1 4.49Å; A205-L318 HydrophobicContact CB-CD1 4.19Å
206	E	98.6	Very high	98.1	Very high	125 Å²	125	44.3 Å²	44.3	58%	0.584	24%	0.237	S	C	*	.	H	α-helix	trans	-62	-47.6	172.7	-175	-177.4	169.5	0	0	111.2	E202 V203 M204 T209 S210	E202-E206 PolarHBondContact O-N 3.34Å; V203-E206 PolarHBondContact O-N 3.3Å; M204-E206 VanDerWaalsContact C-N 3.35Å; E206-T209 PolarHBondContact O-N 2.82Å; E206-S210 VanDerWaalsContact O-CB 3.29Å; E206-S210 WeakPolarHBondContact O-CB 3.47Å; E206-S210 PolarHBondContact O-N 3.05Å; E206-S210 PolarHBondContact O-OG 2.76Å
207	Y	98.8	Very high	98.1	Very high	18 Å²	18	44.6 Å²	44.6	7%	0.071	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-44.5	177.2	-73.2	-25.1	0	0	0	113	E154 F169 K170 V203 M204 T209 I211	E154-Y207 PolarHBondContact OE1-OH 2.81Å; E154-Y207 VanDerWaalsContact OE2-CE2 3.26Å; E154-Y207 WeakPolarHBondContact OE2-CE2 3.42Å; E154-Y207 PolarHBondContact OE2-OH 2.95Å; F169-Y207 HydrophobicContact CD1-CD2 4.12Å; K170-Y207 HydrophobicContact CB-CD2 3.9Å; K170-Y207 HydrophobicContact CB-CE2 3.69Å; K170-Y207 HydrophobicContact CB-CG 4.38Å; K170-Y207 HydrophobicContact CD-CE1 3.85Å; K170-Y207 HydrophobicContact CD-CE2 4.17Å; K170-Y207 HydrophobicContact CG-CD1 4.11Å; K170-Y207 HydrophobicContact CG-CD2 4.21Å; K170-Y207 HydrophobicContact CG-CE1 3.93Å; K170-Y207 HydrophobicContact CG-CE2 4Å; K170-Y207 HydrophobicContact CG-CG 4.25Å; K170-Y207 PolarHBondContact NZ-OH 3.14Å; V203-Y207 HydrophobicContact CG1-CD2 3.85Å; V203-Y207 HydrophobicContact CG1-CE2 3.43Å; V203-Y207 VanDerWaalsContact CG1-CE2 3.43Å; V203-Y207 PolarHBondContact O-N 3.37Å; M204-Y207 PolarHBondContact O-N 3.37Å; Y207-T209 VanDerWaalsContact C-N 3.28Å; Y207-T209 PolarHBondContact O-N 2.9Å; Y207-I211 HydrophobicContact CD1-CD1 4.22Å; Y207-I211 HydrophobicContact CG-CD1 4.24Å; Y207-I211 WeakPolarHBondContact O-CB 3.41Å; Y207-I211 WeakPolarHBondContact O-CD1 3.45Å; Y207-I211 VanDerWaalsContact O-CG1 3.29Å; Y207-I211 WeakPolarHBondContact O-CG1 3.32Å; Y207-I211 PolarHBondContact O-N 3.14Å
208	L	98.9	Very high	98.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57	-45.7	173.9	-72.5	169.2	0	0	0	110.9	F169 I173 L190 L192 M204 L212 L216 I241 L315 L318	F169-L208 HydrophobicContact CE1-CG 4.19Å; F169-L208 HydrophobicContact CZ-CD1 4.27Å; F169-L208 HydrophobicContact CZ-CD2 4.05Å; F169-L208 HydrophobicContact CZ-CG 3.97Å; I173-L208 HydrophobicContact CD1-CD2 3.6Å; I173-L208 HydrophobicContact CG1-CD2 4.03Å; I173-L208 HydrophobicContact CG2-CD2 4.38Å; L190-L208 HydrophobicContact CD1-CD2 4.23Å; L192-L208 HydrophobicContact CD1-CD1 4.2Å; M204-L208 WeakPolarHBondContact O-CB 3.37Å; M204-L208 VanDerWaalsContact O-CG 3.27Å; M204-L208 WeakPolarHBondContact O-CG 3.45Å; M204-L208 PolarHBondContact O-N 3.12Å; L208-L212 HydrophobicContact CD2-CD1 3.9Å; L208-L212 WeakPolarHBondContact O-CB 3.18Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 3.11Å; L208-L216 HydrophobicContact CB-CD2 4.26Å; L208-I241 HydrophobicContact CD1-CD1 4.04Å; L208-I241 HydrophobicContact CD1-CG1 4.33Å; L208-I241 HydrophobicContact CD2-CD1 3.79Å; L208-I241 HydrophobicContact CG-CD1 4.47Å; L208-L315 HydrophobicContact CD1-CD1 3.77Å; L208-L318 HydrophobicContact CB-CD1 3.93Å; L208-L318 HydrophobicContact CD1-CD1 3.93Å
209	T	98.8	Very high	98	Very high	56 Å²	56	46.5 Å²	46.5	34%	0.344	25%	0.249	S	C	.	.	H	α-helix	trans	-72	-48.1	-176	-56.3	0	0	0	0	112.6	A205 E206 Y207 G213 K218	A205-T209 WeakPolarHBondContact O-CB 3.47Å; A205-T209 PolarHBondContact O-N 3.09Å; A205-T209 PolarHBondContact O-OG1 2.92Å; E206-T209 PolarHBondContact O-N 2.82Å; Y207-T209 VanDerWaalsContact C-N 3.28Å; Y207-T209 PolarHBondContact O-N 2.9Å; T209-G213 WeakPolarHBondContact O-CA 3.37Å; T209-G213 PolarHBondContact O-N 2.85Å; T209-G213 VanDerWaalsContact O-N 3.11Å; T209-K218 HydrophobicContact CG2-CD 4.44Å
210	S	98.6	Very high	97.8	Very high	78 Å²	78	44.5 Å²	44.5	55%	0.545	25%	0.246	S	C	.	.	H	α-helix	trans	-73.9	-38.2	-174.5	58.3	0	0	0	0	112.9	E206	E206-S210 VanDerWaalsContact O-CB 3.29Å; E206-S210 WeakPolarHBondContact O-CB 3.47Å; E206-S210 PolarHBondContact O-N 3.05Å; E206-S210 PolarHBondContact O-OG 2.76Å
211	I	98.8	Very high	97.5	Very high	33 Å²	33	46.4 Å²	46.4	17%	0.169	26%	0.257	C	S	.	.	H	α-helix	trans	-81.7	-50.1	-177.5	-59.1	163.9	0	0	0	110.2	K170 I173 R174 E177 Y207 G213	K170-I211 HydrophobicContact CG-CD1 4Å; I173-I211 HydrophobicContact CB-CD1 4.11Å; I173-I211 HydrophobicContact CG2-CB 3.82Å; I173-I211 HydrophobicContact CG2-CD1 4Å; I173-I211 HydrophobicContact CG2-CG2 3.86Å; R174-I211 HydrophobicContact CB-CG2 4.43Å; R174-I211 HydrophobicContact CG-CD1 4.08Å; R174-I211 HydrophobicContact CG-CG1 4.43Å; R174-I211 HydrophobicContact CG-CG2 3.84Å; E177-I211 HydrophobicContact CB-CG2 3.99Å; E177-I211 HydrophobicContact CG-CG2 4.16Å; E177-I211 WeakPolarHBondContact CG-O 3.49Å; Y207-I211 HydrophobicContact CD1-CD1 4.22Å; Y207-I211 HydrophobicContact CG-CD1 4.24Å; Y207-I211 WeakPolarHBondContact O-CB 3.41Å; Y207-I211 WeakPolarHBondContact O-CD1 3.45Å; Y207-I211 VanDerWaalsContact O-CG1 3.29Å; Y207-I211 WeakPolarHBondContact O-CG1 3.32Å; Y207-I211 PolarHBondContact O-N 3.14Å; I211-G213 VanDerWaalsContact C-N 3.33Å; I211-G213 PolarHBondContact O-N 3.46Å
212	L	98.8	Very high	96.6	Very high	3 Å²	3	54 Å²	54	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-77.4	-20.2	-176.2	-54.5	179.7	0	0	0	112.8	I173 E177 L190 L208 D214 K215 L216 I239	I173-L212 HydrophobicContact CG2-CD1 4.25Å; I173-L212 HydrophobicContact CG2-CD2 3.62Å; I173-L212 HydrophobicContact CG2-CG 3.69Å; E177-L212 HydrophobicContact CB-CD2 3.84Å; E177-L212 HydrophobicContact CG-CD2 4.28Å; L190-L212 HydrophobicContact CD1-CD1 4.27Å; L208-L212 HydrophobicContact CD2-CD1 3.9Å; L208-L212 WeakPolarHBondContact O-CB 3.18Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 3.11Å; L212-D214 PolarHBondContact O-N 3.47Å; L212-D214 VanDerWaalsContact O-N 3.15Å; L212-K215 VanDerWaalsContact O-CB 3.29Å; L212-K215 WeakPolarHBondContact O-CB 3.36Å; L212-K215 PolarHBondContact O-N 3.18Å; L212-L216 HydrophobicContact CB-CB 3.88Å; L212-L216 HydrophobicContact CD1-CB 4.44Å; L212-L216 HydrophobicContact CD1-CD1 4.19Å; L212-I239 HydrophobicContact CD1-CB 4.37Å; L212-I239 HydrophobicContact CD1-CD1 4.14Å; L212-I239 HydrophobicContact CD1-CG2 4Å; L212-I239 HydrophobicContact CD2-CD1 3.78Å; L212-I239 HydrophobicContact CG-CD1 4.4Å
213	G	98.3	Very high	95	Very high	24 Å²	24	56 Å²	56	25%	0.247	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	-116.9	173.3	0	0	0	0	0	113.3	T209 I211 K218	T209-G213 WeakPolarHBondContact O-CA 3.37Å; T209-G213 PolarHBondContact O-N 2.85Å; T209-G213 VanDerWaalsContact O-N 3.11Å; I211-G213 VanDerWaalsContact C-N 3.33Å; I211-G213 PolarHBondContact O-N 3.46Å; G213-K218 PolarHBondContact O-NZ 3.13Å
214	D	97.5	Very high	92.6	Very high	132 Å²	132	60.4 Å²	60.4	71%	0.706	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.4	-178.8	-65.4	-28.7	0	0	0	113.9	L212 K238	L212-D214 PolarHBondContact O-N 3.47Å; L212-D214 VanDerWaalsContact O-N 3.15Å; D214-K238 PolarHBondContact O-NZ 2.83Å
215	K	98.7	Very high	90.4	Very high	61 Å²	61	62.9 Å²	62.9	27%	0.265	35%	0.351	S	S	.	.	S	Bend	trans	-69	-28.2	171.5	-62.6	167.7	178.4	164.2	0	110.3	E177 F181 L212 L217 K238 I239	E177-K215 PolarHBondContact O-NZ 3.16Å; E177-K215 IonicContact OE1-NZ 3.37Å; E177-K215 PolarHBondContact OE1-NZ 2.71Å; F181-K215 HydrophobicContact CD2-CD 4.33Å; F181-K215 HydrophobicContact CE2-CB 4.2Å; F181-K215 HydrophobicContact CE2-CD 4.06Å; F181-K215 HydrophobicContact CE2-CG 4.07Å; L212-K215 VanDerWaalsContact O-CB 3.29Å; L212-K215 WeakPolarHBondContact O-CB 3.36Å; L212-K215 PolarHBondContact O-N 3.18Å; K215-L217 PolarHBondContact O-N 2.82Å; K215-K238 CarbonylContact O-C 3.58Å; K215-K238 VanDerWaalsContact O-CA 3.26Å; K215-K238 WeakPolarHBondContact O-CA 3.2Å; K215-I239 HydrophobicContact CB-CD1 4.05Å; K215-I239 HydrophobicContact CB-CG1 4.28Å; K215-I239 PolarHBondContact O-N 2.98Å
216	L	98.8	Very high	88.3	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-72.7	127.2	176.8	-178.4	61.9	0	0	0	111.8	L208 L212 K218 I241 L318	L208-L216 HydrophobicContact CB-CD2 4.26Å; L212-L216 HydrophobicContact CB-CB 3.88Å; L212-L216 HydrophobicContact CD1-CB 4.44Å; L212-L216 HydrophobicContact CD1-CD1 4.19Å; L216-K218 HydrophobicContact CB-CG 4.38Å; L216-K218 HydrophobicContact CD2-CD 4.38Å; L216-K218 HydrophobicContact CD2-CG 3.94Å; L216-K218 HydrophobicContact CG-CG 3.88Å; L216-K218 PolarHBondContact O-N 2.76Å; L216-I241 HydrophobicContact CD1-CD1 3.86Å; L216-I241 HydrophobicContact CD1-CG1 3.67Å; L216-L318 HydrophobicContact CD2-CD1 4.23Å; L216-L318 HydrophobicContact CD2-CD2 3.92Å
217	L	97.8	Very high	86.6	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.042	39%	0.385	C	S	.	.			trans	-76.8	109.1	169.4	-173.5	74.2	0	0	0	109.9	K215 S219 L221 L235 K238 I239 L240 I320 Y321	K215-L217 PolarHBondContact O-N 2.82Å; L217-S219 WeakPolarHBondContact CD1-O 3.49Å; L217-L221 HydrophobicContact CD1-CD2 3.93Å; L217-L235 HydrophobicContact CD1-CD2 4.43Å; L217-L235 HydrophobicContact CD2-CD2 4Å; L217-K238 HydrophobicContact CB-CB 4.47Å; L217-I239 PolarHBondContact N-O 3.3Å; L217-L240 HydrophobicContact CD2-CD2 4.24Å; L217-L240 HydrophobicContact CD2-CG 4.01Å; L217-I320 HydrophobicContact CD2-CB 4.18Å; L217-I320 HydrophobicContact CD2-CG1 4.46Å; L217-I320 HydrophobicContact CD2-CG2 4.32Å; L217-I320 HydrophobicContact CG-CG1 4.48Å; L217-Y321 HydrophobicContact CD2-CD2 3.54Å; L217-Y321 HydrophobicContact CD2-CE2 3.74Å
218	K	95.6	Very high	85.7	Confident	93 Å²	93	68 Å²	68	40%	0.404	40%	0.399	S	S	.	.			trans	-103.5	-15.3	-174.8	-67.7	172.1	-69.9	-159.3	0	114	T209 G213 L216 L318	T209-K218 HydrophobicContact CG2-CD 4.44Å; G213-K218 PolarHBondContact O-NZ 3.13Å; L216-K218 HydrophobicContact CB-CG 4.38Å; L216-K218 HydrophobicContact CD2-CD 4.38Å; L216-K218 HydrophobicContact CD2-CG 3.94Å; L216-K218 HydrophobicContact CG-CG 3.88Å; L216-K218 PolarHBondContact O-N 2.76Å; K218-L318 HydrophobicContact CG-CD2 4.28Å
219	S	94.1	Very high	85.4	Confident	72 Å²	72	68.2 Å²	68.2	50%	0.503	40%	0.401	S	S	.	.	S	Bend	trans	-145	159.2	-179.2	56.8	0	0	0	0	110.4	L217	L217-S219 WeakPolarHBondContact CD1-O 3.49Å
220	P	92.1	Very high	85.2	Confident	79 Å²	79	65.6 Å²	65.6	51%	0.513	39%	0.385	S	S	.	.			trans	-55	151.4	165.8	-20.9	32.9	0	0	0	111.3	I320 Y321	P220-I320 HydrophobicContact CB-CG2 4.31Å; P220-I320 HydrophobicContact CG-CG2 4Å; P220-Y321 WeakPolarHBondContact CA-OH 3.5Å
221	L	91.1	Very high	85.1	Confident	52 Å²	52	62 Å²	62	27%	0.272	36%	0.359	S	S	.	.			trans	-71.2	148.8	172.3	-56.7	179.4	0	0	0	110.4	L217 H223 P230 D234 L235 Y321	L217-L221 HydrophobicContact CD1-CD2 3.93Å; L221-H223 PolarHBondContact O-N 3.37Å; L221-P230 HydrophobicContact CD1-CB 3.91Å; L221-P230 HydrophobicContact CD1-CG 4.03Å; L221-D234 HydrophobicContact CD1-CB 3.75Å; L221-L235 HydrophobicContact CD1-CD2 4.04Å; L221-Y321 HydrophobicContact CG-CE2 4.32Å; L221-Y321 PolarHBondContact N-OH 2.81Å
222	D	78.9	Confident	85.1	Confident	159 Å²	159	60.4 Å²	60.4	85%	0.85	35%	0.351	S	S	*	.	S	Bend	trans	-70.2	-18.3	-175.6	-64.4	-39.3	0	0	0	113.6	P224	D222-P224 VanDerWaalsContact O-CD 3.24Å; D222-P224 WeakPolarHBondContact O-CD 3.45Å
223	H	65.1	Low	85.1	Confident	150 Å²	150	62.2 Å²	62.2	69%	0.694	36%	0.361	S	S	*	.	S	Bend	trans	-84.8	110.7	175	-62.9	-55.8	0	0	0	109.3	L221 T225	L221-H223 PolarHBondContact O-N 3.37Å; H223-T225 PolarHBondContact O-N 3.4Å
224	P	47.5	Very low	85	Confident	120 Å²	120	64.7 Å²	64.7	78%	0.779	37%	0.369	S	S	*	.			trans	-67.2	100.2	175.1	27.7	-31.3	0	0	0	107.3	D222	D222-P224 VanDerWaalsContact O-CD 3.24Å; D222-P224 WeakPolarHBondContact O-CD 3.45Å
225	T	53	Low	85	Confident	52 Å²	52	58.4 Å²	58.4	32%	0.319	34%	0.335	S	S	.	.			trans	-53.5	144.9	159.3	37.8	0	0	0	0	107.6	H223 G227 D228	H223-T225 PolarHBondContact O-N 3.4Å; T225-G227 PolarHBondContact O-N 3.02Å; T225-D228 WeakPolarHBondContact CB-O 3.43Å; T225-D228 PolarHBondContact OG1-O 3.41Å
226	T	55.6	Low	85	Confident	135 Å²	135	59.3 Å²	59.3	83%	0.828	34%	0.341	S	S	*	.	S	Bend	trans	-60.6	28.8	-174.5	40.8	0	0	0	0	115.5	D228	T226-D228 PolarHBondContact OG1-OD2 3.25Å
227	G	61.4	Low	84.9	Confident	50 Å²	50	65.5 Å²	65.5	52%	0.515	37%	0.365	S	S	.	.	S	Bend	trans	95.9	3.2	-167.1	0	0	0	0	0	113.5	T225 C339	T225-G227 PolarHBondContact O-N 3.02Å; G227-C339 VanDerWaalsContact O-CB 3.25Å; G227-C339 WeakPolarHBondContact O-CB 3.11Å; G227-C339 PolarHBondContact O-SG 2.81Å
228	D	80.4	Confident	85	Confident	68 Å²	68	68.2 Å²	68.2	36%	0.364	38%	0.377	S	S	.	.	S	Bend	trans	-106	168.5	-175.8	-63.1	-49.6	0	0	0	113.4	P104 T225 T226	P104-D228 HydrophobicContact CB-CB 4.2Å; P104-D228 HydrophobicContact CG-CB 3.8Å; T225-D228 WeakPolarHBondContact CB-O 3.43Å; T225-D228 PolarHBondContact OG1-O 3.41Å; T226-D228 PolarHBondContact OG1-OD2 3.25Å
229	L	92.6	Very high	85.2	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-67.9	150	171.2	-70.4	176.4	0	0	0	110.8	P104 L105 T106 Y321 L369	P104-L229 WeakPolarHBondContact CA-O 3.38Å; P104-L229 HydrophobicContact CB-CB 4.43Å; P104-L229 WeakPolarHBondContact CB-O 3.21Å; L105-L229 HydrophobicContact CB-CB 4.18Å; L105-L229 HydrophobicContact CB-CD1 4.02Å; T106-L229 HydrophobicContact CG2-CD1 3.63Å; T106-L229 HydrophobicContact CG2-CG 4.5Å; L229-Y321 HydrophobicContact CD2-CD1 4.29Å; L229-Y321 HydrophobicContact CD2-CG 4.45Å; L229-Y321 WeakPolarHBondContact CD2-O 3.48Å; L229-L369 HydrophobicContact CD1-CD1 3.79Å; L229-L369 HydrophobicContact CD1-CD2 4.47Å; L229-L369 HydrophobicContact CD1-CG 3.74Å
230	P	95.2	Very high	85.4	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-58.4	163.9	170.6	-19.8	30.7	0	0	0	112.2	L105 L221 D234 L235 Y321	L105-P230 WeakPolarHBondContact CG-O 3.43Å; L105-P230 PolarHBondContact N-O 2.67Å; L221-P230 HydrophobicContact CD1-CB 3.91Å; L221-P230 HydrophobicContact CD1-CG 4.03Å; P230-D234 HydrophobicContact CB-CB 3.89Å; P230-L235 HydrophobicContact CB-CD1 3.81Å; P230-L235 HydrophobicContact CB-CD2 4.33Å; P230-L235 HydrophobicContact CB-CG 3.83Å; P230-L235 HydrophobicContact CG-CD1 4.24Å; P230-L235 HydrophobicContact CG-CD2 4.46Å; P230-L235 HydrophobicContact CG-CG 4.41Å; P230-Y321 HydrophobicContact CG-CD1 4.18Å; P230-Y321 HydrophobicContact CG-CD2 3.8Å; P230-Y321 HydrophobicContact CG-CE1 3.87Å; P230-Y321 HydrophobicContact CG-CE2 3.48Å; P230-Y321 VanDerWaalsContact CG-CE2 3.48Å; P230-Y321 HydrophobicContact CG-CG 4.14Å
231	S	96.8	Very high	85.7	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.014	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-83.2	165.2	174.8	71.2	0	0	0	0	113.2	M101 D102 Q103 N233 D234 L235	M101-S231 WeakPolarHBondContact O-CB 3.45Å; D102-S231 VanDerWaalsContact CA-CB 3.49Å; D102-S231 WeakPolarHBondContact O-CB 3.41Å; Q103-S231 WeakPolarHBondContact O-CA 3.45Å; Q103-S231 WeakPolarHBondContact O-CB 3.43Å; S231-N233 PolarHBondContact O-N 2.67Å; S231-N233 PolarHBondContact OG-N 3.49Å; S231-D234 WeakPolarHBondContact CB-OD2 3.38Å; S231-D234 PolarHBondContact N-OD2 2.96Å; S231-D234 PolarHBondContact O-N 2.9Å; S231-D234 PolarHBondContact OG-N 3.22Å; S231-D234 PolarHBondContact OG-OD2 3Å; S231-L235 PolarHBondContact O-N 2.96Å
232	P	98.3	Very high	86	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-39.6	166.3	-26.8	34.6	0	0	0	113.3	M101 Q103 L105 Y108 Y186 P187 L235 M236 Y423	M101-P232 HydrophobicContact CE-CB 3.9Å; M101-P232 HydrophobicContact CE-CG 4.09Å; M101-P232 WeakPolarHBondContact O-CD 3.24Å; Q103-P232 WeakPolarHBondContact O-CD 3.4Å; L105-P232 HydrophobicContact CD2-CG 4.12Å; Y108-P232 HydrophobicContact CD1-CG 4.35Å; Y108-P232 HydrophobicContact CD2-CG 3.81Å; Y108-P232 HydrophobicContact CE1-CG 4.15Å; Y108-P232 VanDerWaalsContact CE2-CD 3.45Å; Y108-P232 HydrophobicContact CE2-CG 3.59Å; Y108-P232 HydrophobicContact CG-CG 4.22Å; Y186-P232 HydrophobicContact CD1-CB 3.42Å; Y186-P232 VanDerWaalsContact CD1-CB 3.42Å; Y186-P232 WeakPolarHBondContact CD1-O 3.42Å; Y186-P232 HydrophobicContact CE1-CB 3.78Å; Y186-P232 HydrophobicContact CG-CB 4.25Å; P187-P232 WeakPolarHBondContact CD-O 3.26Å; P232-L235 CarbonylContact O-C 3.55Å; P232-L235 PolarHBondContact O-N 2.94Å; P232-M236 PolarHBondContact O-N 2.9Å; P232-Y423 HydrophobicContact CG-CD1 4.03Å; P232-Y423 HydrophobicContact CG-CG 4.37Å
233	N	97.8	Very high	86.9	Confident	42 Å²	42	47.3 Å²	47.3	23%	0.225	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-43.9	177.5	-82.8	-13.2	0	0	0	112.2	M101 D102 Y186 S231 L235 M236	M101-N233 WeakPolarHBondContact CB-OD1 3.28Å; M101-N233 WeakPolarHBondContact O-CB 3.44Å; M101-N233 PolarHBondContact O-N 3.39Å; M101-N233 VanDerWaalsContact O-N 3.11Å; D102-N233 VanDerWaalsContact CG-ND2 3.26Å; D102-N233 VanDerWaalsContact OD1-CB 3.32Å; D102-N233 WeakPolarHBondContact OD1-CB 3.29Å; D102-N233 PolarHBondContact OD1-ND2 2.66Å; D102-N233 PolarHBondContact OD2-ND2 2.68Å; Y186-N233 WeakPolarHBondContact CE1-OD1 3.44Å; Y186-N233 PolarHBondContact OH-OD1 2.77Å; S231-N233 PolarHBondContact O-N 2.67Å; S231-N233 PolarHBondContact OG-N 3.49Å; N233-L235 PolarHBondContact O-N 3.47Å; N233-L235 VanDerWaalsContact O-N 3.13Å; N233-M236 WeakPolarHBondContact O-CG 3.29Å; N233-M236 PolarHBondContact O-N 3Å
234	D	96.6	Very high	88.3	Confident	76 Å²	76	46.1 Å²	46.1	41%	0.406	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.1	177.2	-63.9	-43.2	0	0	0	112.9	L221 P230 S231	L221-D234 HydrophobicContact CD1-CB 3.75Å; P230-D234 HydrophobicContact CB-CB 3.89Å; S231-D234 WeakPolarHBondContact CB-OD2 3.38Å; S231-D234 PolarHBondContact N-OD2 2.96Å; S231-D234 PolarHBondContact O-N 2.9Å; S231-D234 PolarHBondContact OG-N 3.22Å; S231-D234 PolarHBondContact OG-OD2 3Å
235	L	97.6	Very high	90.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	17	-173.1	-67.7	171.3	0	0	0	112.9	L105 P187 L217 L221 P230 S231 P232 N233 Y237 K238 L240	L105-L235 HydrophobicContact CD1-CD1 3.79Å; L105-L235 HydrophobicContact CD2-CD1 4.39Å; L105-L235 HydrophobicContact CG-CD1 4.16Å; P187-L235 HydrophobicContact CB-CB 3.81Å; P187-L235 WeakPolarHBondContact CB-O 3.41Å; P187-L235 WeakPolarHBondContact CD-O 3.37Å; P187-L235 HydrophobicContact CG-CB 3.64Å; P187-L235 HydrophobicContact CG-CD1 4.39Å; L217-L235 HydrophobicContact CD1-CD2 4.43Å; L217-L235 HydrophobicContact CD2-CD2 4Å; L221-L235 HydrophobicContact CD1-CD2 4.04Å; P230-L235 HydrophobicContact CB-CD1 3.81Å; P230-L235 HydrophobicContact CB-CD2 4.33Å; P230-L235 HydrophobicContact CB-CG 3.83Å; P230-L235 HydrophobicContact CG-CD1 4.24Å; P230-L235 HydrophobicContact CG-CD2 4.46Å; P230-L235 HydrophobicContact CG-CG 4.41Å; S231-L235 PolarHBondContact O-N 2.96Å; P232-L235 CarbonylContact O-C 3.55Å; P232-L235 PolarHBondContact O-N 2.94Å; N233-L235 PolarHBondContact O-N 3.47Å; N233-L235 VanDerWaalsContact O-N 3.13Å; L235-Y237 PolarHBondContact O-N 2.81Å; L235-K238 HydrophobicContact CD2-CB 4.49Å; L235-K238 VanDerWaalsContact O-CB 3.32Å; L235-K238 WeakPolarHBondContact O-CB 3.48Å; L235-K238 PolarHBondContact O-N 3.26Å; L235-L240 HydrophobicContact CD1-CD1 4.31Å; L235-L240 HydrophobicContact CD1-CD2 4.13Å; L235-L240 HydrophobicContact CD2-CD1 4.43Å
236	M	98	Very high	92.3	Very high	79 Å²	79	44.3 Å²	44.3	39%	0.389	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	136.4	175.8	-78.5	-171.4	-63.4	0	0	111.3	A185 Y186 P232 N233 K238	A185-M236 CarbonylContact O-C 3.51Å; A185-M236 WeakPolarHBondContact O-CA 3.32Å; Y186-M236 HydrophobicContact CD1-CG 4.22Å; Y186-M236 HydrophobicContact CE1-CG 4.25Å; P232-M236 PolarHBondContact O-N 2.9Å; N233-M236 WeakPolarHBondContact O-CG 3.29Å; N233-M236 PolarHBondContact O-N 3Å; M236-K238 PolarHBondContact O-N 3.25Å; M236-K238 VanDerWaalsContact O-N 3.13Å
237	Y	98.6	Very high	93.5	Very high	132 Å²	132	46.5 Å²	46.5	52%	0.518	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	17.6	-177.4	-51	-71.9	0	0	0	114.9	F181 A185 L235	F181-Y237 HydrophobicContact CB-CD1 3.91Å; F181-Y237 HydrophobicContact CB-CE1 4.22Å; F181-Y237 HydrophobicContact CD1-CD1 4.16Å; F181-Y237 HydrophobicContact CD2-CD1 4.28Å; F181-Y237 WeakPolarHBondContact CE2-O 3.48Å; F181-Y237 AromaticContact CG-CD1 3.85Å; F181-Y237 HydrophobicContact CG-CD1 3.85Å; F181-Y237 WeakPolarHBondContact CZ-O 3.5Å; A185-Y237 HydrophobicContact CB-CD1 4.38Å; A185-Y237 HydrophobicContact CB-CE1 3.63Å; A185-Y237 HydrophobicContact CB-CE2 4.08Å; A185-Y237 VanDerWaalsContact CB-CZ 3.46Å; A185-Y237 WeakPolarHBondContact CB-OH 3.21Å; A185-Y237 PolarHBondContact O-N 3.04Å; L235-Y237 PolarHBondContact O-N 2.81Å
238	K	98.8	Very high	93.5	Very high	65 Å²	65	49 Å²	49	28%	0.283	24%	0.238	S	C	.	.			trans	-101.1	143.8	175.9	-60.5	-61.2	177.6	179.9	0	113.4	P187 V188 D214 K215 L217 L235 M236 L240	P187-K238 WeakPolarHBondContact CA-O 3.38Å; V188-K238 PolarHBondContact N-O 2.9Å; D214-K238 PolarHBondContact O-NZ 2.83Å; K215-K238 CarbonylContact O-C 3.58Å; K215-K238 VanDerWaalsContact O-CA 3.26Å; K215-K238 WeakPolarHBondContact O-CA 3.2Å; L217-K238 HydrophobicContact CB-CB 4.47Å; L235-K238 HydrophobicContact CD2-CB 4.49Å; L235-K238 VanDerWaalsContact O-CB 3.32Å; L235-K238 WeakPolarHBondContact O-CB 3.48Å; L235-K238 PolarHBondContact O-N 3.26Å; M236-K238 PolarHBondContact O-N 3.25Å; M236-K238 VanDerWaalsContact O-N 3.13Å; K238-L240 HydrophobicContact CB-CD1 4.46Å
239	I	98.9	Very high	91.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.4	173.7	-57.7	176.1	0	0	0	107.7	V176 A180 F181 V188 L190 L212 K215 L217	V176-I239 HydrophobicContact CG1-CD1 4.16Å; A180-I239 HydrophobicContact CB-CD1 4.15Å; F181-I239 HydrophobicContact CE2-CD1 4.24Å; F181-I239 HydrophobicContact CE2-CG1 4.01Å; F181-I239 HydrophobicContact CZ-CD1 4.42Å; F181-I239 HydrophobicContact CZ-CG1 3.72Å; V188-I239 HydrophobicContact CB-CG1 4.38Å; V188-I239 CarbonylContact O-C 3.48Å; V188-I239 VanDerWaalsContact O-CA 3.23Å; V188-I239 WeakPolarHBondContact O-CA 3.4Å; L190-I239 HydrophobicContact CD1-CG2 3.73Å; L190-I239 HydrophobicContact CG-CG2 3.68Å; L212-I239 HydrophobicContact CD1-CB 4.37Å; L212-I239 HydrophobicContact CD1-CD1 4.14Å; L212-I239 HydrophobicContact CD1-CG2 4Å; L212-I239 HydrophobicContact CD2-CD1 3.78Å; L212-I239 HydrophobicContact CG-CD1 4.4Å; K215-I239 HydrophobicContact CB-CD1 4.05Å; K215-I239 HydrophobicContact CB-CG1 4.28Å; K215-I239 PolarHBondContact O-N 2.98Å; L217-I239 PolarHBondContact N-O 3.3Å
240	L	98.8	Very high	89.2	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.8	-178.6	-68	81.1	0	0	0	110.4	P187 V188 I189 L190 L217 L235 K238 Y321 T322	P187-L240 HydrophobicContact CB-CD1 3.75Å; V188-L240 PolarHBondContact O-N 2.94Å; I189-L240 WeakPolarHBondContact CA-O 3.33Å; I189-L240 HydrophobicContact CG1-CB 4.39Å; L190-L240 PolarHBondContact N-O 3.17Å; L217-L240 HydrophobicContact CD2-CD2 4.24Å; L217-L240 HydrophobicContact CD2-CG 4.01Å; L235-L240 HydrophobicContact CD1-CD1 4.31Å; L235-L240 HydrophobicContact CD1-CD2 4.13Å; L235-L240 HydrophobicContact CD2-CD1 4.43Å; K238-L240 HydrophobicContact CB-CD1 4.46Å; L240-Y321 HydrophobicContact CD2-CD2 4.42Å; L240-T322 HydrophobicContact CD2-CG2 4.16Å
241	I	98.8	Very high	86.4	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110.7	176.2	-52.8	-54.9	0	0	0	110.3	L190 L192 L208 L216 N243 L318 V319 T322	L190-I241 HydrophobicContact CB-CD1 4.14Å; L190-I241 HydrophobicContact CD1-CD1 4.12Å; L190-I241 HydrophobicContact CG-CD1 4.47Å; L192-I241 HydrophobicContact CD1-CG2 3.6Å; L192-I241 HydrophobicContact CG-CG2 4.1Å; L208-I241 HydrophobicContact CD1-CD1 4.04Å; L208-I241 HydrophobicContact CD1-CG1 4.33Å; L208-I241 HydrophobicContact CD2-CD1 3.79Å; L208-I241 HydrophobicContact CG-CD1 4.47Å; L216-I241 HydrophobicContact CD1-CD1 3.86Å; L216-I241 HydrophobicContact CD1-CG1 3.67Å; I241-N243 HydrophobicContact CG2-CB 4.3Å; I241-L318 HydrophobicContact CB-CB 4.41Å; I241-L318 HydrophobicContact CG1-CB 4.16Å; I241-V319 HydrophobicContact CG2-CG2 4.38Å; I241-T322 VanDerWaalsContact C-OG1 3.26Å; I241-T322 PolarHBondContact O-OG1 3.15Å
242	K	98.5	Very high	83.4	Confident	7 Å²	7	83 Å²	83	3%	0.03	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	109.2	170.7	173.6	-175.2	167.5	-59.2	0	109.3	I189 L190 S191 L192 T322 S324 N342 S344	I189-K242 HydrophobicContact CG2-CB 3.76Å; L190-K242 PolarHBondContact O-N 3.36Å; S191-K242 PolarHBondContact OG-NZ 2.83Å; L192-K242 PolarHBondContact N-O 2.78Å; K242-T322 WeakPolarHBondContact CA-O 3.48Å; K242-T322 WeakPolarHBondContact CA-OG1 3.44Å; K242-T322 WeakPolarHBondContact CG-O 3.31Å; K242-T322 PolarHBondContact N-OG1 3.32Å; K242-S324 WeakPolarHBondContact CE-OG 3.44Å; K242-S324 WeakPolarHBondContact CG-OG 3.28Å; K242-S324 PolarHBondContact NZ-OG 3.2Å; K242-S324 VanDerWaalsContact NZ-OG 3.11Å; K242-N342 VanDerWaalsContact CE-OD1 3.23Å; K242-N342 WeakPolarHBondContact CE-OD1 3.29Å; K242-S344 PolarHBondContact NZ-OG 3.18Å
243	N	97.1	Very high	80.3	Confident	6 Å²	6	91.2 Å²	91.2	3%	0.032	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-154.1	176.6	176.5	-166.1	13.2	0	0	0	111	L192 I241 L315 V319 S324	L192-N243 HydrophobicContact CB-CB 4.33Å; I241-N243 HydrophobicContact CG2-CB 4.3Å; N243-L315 VanDerWaalsContact ND2-CD2 3.35Å; N243-L315 WeakPolarHBondContact ND2-CD2 3.42Å; N243-V319 HydrophobicContact CB-CG2 3.74Å; N243-S324 PolarHBondContact O-N 2.91Å
244	K	94.3	Very high	77.1	Confident	125 Å²	125	96.2 Å²	96.2	54%	0.543	44%	0.443	S	S	.	.			trans	-65.2	143.4	166.7	-67.8	174.5	-175.2	162.2	0	109.8	V311	K244-V311 HydrophobicContact CB-CG2 3.8Å
245	K	92.8	Very high	74.3	Confident	62 Å²	62	102.3 Å²	102.3	27%	0.27	47%	0.466	S	S	.	.			trans	-121.3	136.8	176.9	-166.1	-179.9	-174.7	78	0	110.7	S316 V319 R323	K245-S316 WeakPolarHBondContact CG-OG 3.48Å; K245-S316 PolarHBondContact NZ-O 3.34Å; K245-V319 HydrophobicContact CB-CB 4.28Å; K245-V319 HydrophobicContact CB-CG1 4.22Å; K245-V319 HydrophobicContact CD-CB 4.37Å; K245-V319 WeakPolarHBondContact CD-O 3.39Å; K245-V319 WeakPolarHBondContact CE-O 2.78Å; K245-V319 HydrophobicContact CG-CB 4.36Å; K245-V319 PolarHBondContact NZ-O 3Å; K245-R323 HydrophobicContact CB-CG 3.8Å; K245-R323 PolarHBondContact O-NH2 2.86Å
246	L	91	Very high	71	Confident	71 Å²	71	108 Å²	108	37%	0.372	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-56.2	145	172.5	-68	173	0	0	0	110	S248 V311 R313 S316	L246-S248 PolarHBondContact O-N 3.32Å; L246-V311 HydrophobicContact CD2-CB 4.24Å; L246-V311 HydrophobicContact CG-CB 4.42Å; L246-R313 HydrophobicContact CD1-CB 4.22Å; L246-S316 WeakPolarHBondContact CB-OG 3.45Å; L246-S316 PolarHBondContact N-OG 2.92Å
247	K	80.4	Confident	68.2	Low	181 Å²	181	113.5 Å²	113.5	79%	0.787	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-69.2	131.6	170.8	-66.4	-176.2	178.2	-175.6	0	107.5	Q249	K247-Q249 PolarHBondContact O-N 2.87Å; K247-Q249 VanDerWaalsContact O-N 3.12Å
248	S	61.8	Low	64.8	Low	102 Å²	102	114.2 Å²	114.2	71%	0.713	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-58.7	118.4	172.9	45.4	0	0	0	0	108.8	L246 I250	L246-S248 PolarHBondContact O-N 3.32Å; S248-I250 PolarHBondContact O-N 2.8Å
249	Q	42.9	Very low	61.4	Low	192 Å²	192	116 Å²	116	90%	0.897	56%	0.559	S	S	*	*			trans	-73.8	85.2	161.9	-73.6	-175.7	-14.5	0	0	106.5	K247 R251	K247-Q249 PolarHBondContact O-N 2.87Å; K247-Q249 VanDerWaalsContact O-N 3.12Å; Q249-R251 PolarHBondContact O-N 2.84Å
250	I	39.9	Very low	58.3	Low	141 Å²	141	125.5 Å²	125.5	72%	0.723	60%	0.604	S	S	*	*			trans	-63.9	120.5	158.7	-62.4	176.1	0	0	0	105.1	S248 R252	S248-I250 PolarHBondContact O-N 2.8Å; I250-R252 PolarHBondContact O-N 2.76Å
251	R	37.6	Very low	54.9	Low	220 Å²	220	133.2 Å²	133.2	83%	0.83	64%	0.639	S	S	*	*			trans	-47.2	106.8	174.1	-72.5	176.9	174.3	175.6	-3	108.8	Q249 E253	Q249-R251 PolarHBondContact O-N 2.84Å; R251-E253 VanDerWaalsContact C-N 3.26Å; R251-E253 PolarHBondContact O-N 2.77Å
252	R	32.5	Very low	51.6	Low	239 Å²	239	138.5 Å²	138.5	90%	0.902	68%	0.676	S	S	*	*			trans	-84.2	81.7	156.9	-74.8	-176.7	-179.5	174.2	-2.7	106.5	I250 D254	I250-R252 PolarHBondContact O-N 2.76Å; R252-D254 PolarHBondContact O-N 2.88Å
253	E	33.3	Very low	48	Very low	172 Å²	172	143.9 Å²	143.9	80%	0.804	71%	0.71	S	S	*	*			trans	-75.7	79.8	144.6	-78.8	175.6	-171.7	0	0	105.8	R251	R251-E253 VanDerWaalsContact C-N 3.26Å; R251-E253 PolarHBondContact O-N 2.77Å
254	D	31.2	Very low	44.8	Very low	146 Å²	146	151.1 Å²	151.1	78%	0.781	74%	0.743	S	S	*	*			trans	-158.3	109.3	145.6	-103.4	-23.8	0	0	0	106.4	R252 T256	R252-D254 PolarHBondContact O-N 2.88Å; D254-T256 PolarHBondContact O-N 2.95Å
255	K	38	Very low	41.6	Very low	204 Å²	204	150.4 Å²	150.4	89%	0.887	75%	0.754	S	S	*	*			trans	-68.4	112.2	170.5	-72.9	-180	176.1	-179.2	0	107.6
256	T	27.8	Very low	38.5	Very low	121 Å²	121	155.8 Å²	155.8	74%	0.742	78%	0.777	S	S	*	*			trans	-137	116.2	138.6	42.5	0	0	0	0	107.1	D254 D258	D254-T256 PolarHBondContact O-N 2.95Å; T256-D258 PolarHBondContact O-N 3.25Å
257	E	38.9	Very low	35.4	Very low	194 Å²	194	158.1 Å²	158.1	91%	0.907	80%	0.795	S	S	*	*			trans	-54.4	114.3	165.7	-67.5	174.1	164	0	0	107.9
258	D	27.2	Very low	32.7	Very low	147 Å²	147	157.4 Å²	157.4	79%	0.786	80%	0.798	S	S	*	*			trans	-135.7	109.5	159.7	-95.2	-33.2	0	0	0	108.6	T256	T256-D258 PolarHBondContact O-N 3.25Å
259	S	28.7	Very low	31.1	Very low	102 Å²	102	158.2 Å²	158.2	71%	0.713	80%	0.799	S	S	*	*			trans	-41.2	135.6	172.1	42.2	0	0	0	0	113	H261	S259-H261 PolarHBondContact O-N 3Å
260	E	33.5	Very low	30.3	Very low	200 Å²	200	153.9 Å²	153.9	94%	0.935	79%	0.789	S	S	*	*			trans	-53.2	101.6	167	-67.7	-175.3	151.1	0	0	110.7
261	H	27.1	Very low	29.7	Very low	165 Å²	165	157.3 Å²	157.3	76%	0.764	80%	0.799	S	S	*	*			trans	-117.6	100.5	159	-128.4	-69.9	0	0	0	109	S259 T263	S259-H261 PolarHBondContact O-N 3Å; H261-T263 VanDerWaalsContact C-N 3.32Å; H261-T263 PolarHBondContact O-N 3.49Å
262	S	28.3	Very low	29.2	Very low	112 Å²	112	155.1 Å²	155.1	78%	0.783	80%	0.796	S	S	*	*			trans	-70.2	88.3	168.3	51.7	0	0	0	0	109.3	Q264	S262-Q264 PolarHBondContact O-N 3.3Å
263	T	24.7	Very low	29	Very low	119 Å²	119	149.7 Å²	149.7	73%	0.73	78%	0.784	S	S	*	*			trans	-72.6	101.3	173.9	-39.5	0	0	0	0	109.3	H261 S265	H261-T263 VanDerWaalsContact C-N 3.32Å; H261-T263 PolarHBondContact O-N 3.49Å; T263-S265 PolarHBondContact O-N 3.37Å
264	Q	29.4	Very low	28.8	Very low	159 Å²	159	149.6 Å²	149.6	74%	0.743	78%	0.784	S	S	*	*			trans	-54.2	104.8	166	-72.8	179.3	1	0	0	110.1	S262 K266	S262-Q264 PolarHBondContact O-N 3.3Å; Q264-K266 PolarHBondContact O-N 2.64Å
265	S	25.7	Very low	28.6	Very low	110 Å²	110	149.7 Å²	149.7	77%	0.769	78%	0.778	S	S	*	*			trans	-87	95.4	157.3	-60.2	0	0	0	0	107.8	T263 V267	T263-S265 PolarHBondContact O-N 3.37Å; S265-V267 PolarHBondContact O-N 2.79Å
266	K	28.6	Very low	28.4	Very low	174 Å²	174	147.2 Å²	147.2	76%	0.757	77%	0.767	S	S	*	*			trans	-65.3	94.4	169.3	-79.5	177.7	178.6	171.5	0	109.1	Q264	Q264-K266 PolarHBondContact O-N 2.64Å
267	V	25.1	Very low	29	Very low	121 Å²	121	144.5 Å²	144.5	73%	0.733	75%	0.746	S	S	*	*			trans	-96.5	110.2	151.3	-178.9	0	0	0	0	106.3	S265 V269	S265-V267 PolarHBondContact O-N 2.79Å; V267-V269 VanDerWaalsContact C-N 3.29Å; V267-V269 HydrophobicContact CG1-CG2 4.29Å; V267-V269 PolarHBondContact O-N 3.23Å
268	L	25.4	Very low	29	Very low	165 Å²	165	139.8 Å²	139.8	86%	0.864	72%	0.724	S	S	*	*			trans	-64.8	90.1	171.5	-87.6	99.1	0	0	0	109.1
269	V	28.1	Very low	29.4	Very low	120 Å²	120	135.6 Å²	135.6	73%	0.727	71%	0.706	S	S	*	*			trans	-99.4	116.1	151.6	179.5	0	0	0	0	106.4	V267 K271	V267-V269 VanDerWaalsContact C-N 3.29Å; V267-V269 HydrophobicContact CG1-CG2 4.29Å; V267-V269 PolarHBondContact O-N 3.23Å; V269-K271 PolarHBondContact O-N 3.34Å
270	S	25.6	Very low	29.7	Very low	100 Å²	100	135 Å²	135	70%	0.699	70%	0.695	S	S	*	*			trans	-31.1	106	171.8	171.8	0	0	0	0	112.4	K272	S270-K272 VanDerWaalsContact C-N 3.25Å; S270-K272 PolarHBondContact O-N 3.07Å
271	K	27.2	Very low	30	Very low	213 Å²	213	127.7 Å²	127.7	93%	0.926	66%	0.662	S	S	*	*			trans	-66.7	85.1	164.6	-82.7	179.9	174.1	176.7	0	108.3	V269	V269-K271 PolarHBondContact O-N 3.34Å
272	K	26.9	Very low	30.6	Very low	175 Å²	175	125.1 Å²	125.1	76%	0.761	65%	0.649	S	S	*	*			trans	-131.4	115.2	158	-89	-174.6	174.6	177.1	0	109.5	S270	S270-K272 VanDerWaalsContact C-N 3.25Å; S270-K272 PolarHBondContact O-N 3.07Å
273	N	28	Very low	31.2	Very low	124 Å²	124	126.7 Å²	126.7	66%	0.663	64%	0.644	S	S	*	*			trans	81.4	64.2	165.5	-55.6	-18.9	0	0	0	118	F275	N273-F275 HydrophobicContact CB-CD2 4.33Å
274	E	28.7	Very low	31.9	Very low	171 Å²	171	125.6 Å²	125.6	80%	0.799	63%	0.633	S	S	*	*			trans	-85.8	87.5	143.2	-85.5	-167.7	142.4	0	0	108.4	K276 K326	E274-K276 PolarHBondContact O-N 3.49Å; E274-K326 IonicContact OE1-NZ 3.63Å; E274-K326 PolarHBondContact OE1-NZ 2.71Å
275	F	28.8	Very low	32.3	Very low	147 Å²	147	123.2 Å²	123.2	65%	0.645	62%	0.624	S	S	*	*			trans	-73.6	107	160.6	-88.9	-90.7	0	0	0	107.5	N273 E277	N273-F275 HydrophobicContact CB-CD2 4.33Å; F275-E277 PolarHBondContact O-N 3.19Å; F275-E277 VanDerWaalsContact O-N 3.13Å
276	K	32.8	Very low	32.7	Very low	152 Å²	152	126.6 Å²	126.6	66%	0.661	63%	0.626	S	S	*	*			trans	-66.9	99.8	156.6	-77.4	-176.9	174.7	-175.7	0	106.5	E274 E278 S279	E274-K276 PolarHBondContact O-N 3.49Å; K276-E278 PolarHBondContact O-N 3.37Å; K276-E278 VanDerWaalsContact O-N 3.07Å; K276-S279 PolarHBondContact O-N 3.16Å; K276-S279 PolarHBondContact O-OG 2.9Å
277	E	40.7	Very low	32.9	Very low	65 Å²	65	127.9 Å²	127.9	30%	0.304	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-12.3	-177.6	-103.6	177.1	160.5	0	0	113.6	F275 S279 N280 K348	F275-E277 PolarHBondContact O-N 3.19Å; F275-E277 VanDerWaalsContact O-N 3.13Å; E277-S279 PolarHBondContact O-N 3.44Å; E277-N280 PolarHBondContact O-N 3.15Å; E277-K348 IonicContact OE1-NZ 3.93Å; E277-K348 PolarHBondContact OE1-NZ 3.4Å; E277-K348 VanDerWaalsContact OE1-NZ 3.17Å
278	E	38.9	Very low	33	Very low	94 Å²	94	127.3 Å²	127.3	44%	0.439	63%	0.633	S	S	.	*	H	α-helix	trans	-57.9	-23.3	166.1	-82.4	-177	152.4	0	0	113.5	K276 N280 Q306	K276-E278 PolarHBondContact O-N 3.37Å; K276-E278 VanDerWaalsContact O-N 3.07Å; E278-N280 VanDerWaalsContact C-N 3.34Å; E278-Q306 PolarHBondContact OE1-NE2 3.27Å; E278-Q306 PolarHBondContact OE2-NE2 3.06Å; E278-Q306 PolarHBondContact OE2-OE1 3.04Å
279	S	35.4	Very low	33.5	Very low	60 Å²	60	128.5 Å²	128.5	42%	0.42	63%	0.634	S	S	.	*	H	α-helix	trans	-75.8	-19.5	179.7	65.1	0	0	0	0	113.9	K276 E277	K276-S279 PolarHBondContact O-N 3.16Å; K276-S279 PolarHBondContact O-OG 2.9Å; E277-S279 PolarHBondContact O-N 3.44Å
280	N	34.6	Very low	33.6	Very low	90 Å²	90	133.3 Å²	133.3	48%	0.481	64%	0.641	S	S	.	*	H	α-helix	trans	-81.8	-23.4	-177.3	-81.6	-2.6	0	0	0	113.5	E277 E278	E277-N280 PolarHBondContact O-N 3.15Å; E278-N280 VanDerWaalsContact C-N 3.34Å
281	L	39.2	Very low	34	Very low	46 Å²	46	135.2 Å²	135.2	24%	0.241	64%	0.643	C	S	.	*	H	α-helix	trans	-83.9	-16.5	175.9	-75.5	166.7	0	0	0	113	L123 Q283 I284	L123-L281 HydrophobicContact CD2-CD2 4.17Å; L281-Q283 PolarHBondContact O-N 2.83Å; L281-I284 HydrophobicContact CD2-CD1 4.07Å
282	K	41	Very low	34.6	Very low	110 Å²	110	133.6 Å²	133.6	48%	0.478	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.8	-3.4	173.4	-68.7	-169.5	177.6	-167.6	0	113.7
283	Q	40	Very low	35	Very low	146 Å²	146	130.3 Å²	130.3	68%	0.682	64%	0.638	S	S	*	*			trans	-123	61.8	-170.7	-142.7	166.5	39.8	0	0	110.4	L281	L281-Q283 PolarHBondContact O-N 2.83Å
284	I	40.8	Very low	35.2	Very low	96 Å²	96	130.9 Å²	130.9	49%	0.492	65%	0.645	S	S	.	*			trans	-132.7	134.4	173.6	-58.1	-179.1	0	0	0	110.6	L123 L281	L123-I284 HydrophobicContact CD1-CD1 4.15Å; L123-I284 HydrophobicContact CD2-CD1 3.72Å; L281-I284 HydrophobicContact CD2-CD1 4.07Å
285	L	36.4	Very low	35.1	Very low	109 Å²	109	131.3 Å²	131.3	57%	0.571	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-71.7	142.5	-164.7	-65.5	140.5	0	0	0	114
286	F	34.4	Very low	35.5	Very low	181 Å²	181	133 Å²	133	79%	0.794	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-97.7	134.3	164.7	-102.3	-90.9	0	0	0	110.7	L163	L163-F286 HydrophobicContact CD2-CZ 4.34Å
287	F	33	Very low	35.2	Very low	200 Å²	200	132 Å²	132	88%	0.877	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-90.6	121	167.5	-71.6	-86.9	0	0	0	109
288	S	27	Very low	34.7	Very low	110 Å²	110	135.6 Å²	135.6	77%	0.769	67%	0.674	S	S	*	*			trans	-110.4	118.6	165	175.2	0	0	0	0	108.2	Y290	S288-Y290 PolarHBondContact O-N 3.19Å
289	Q	35.7	Very low	34.3	Very low	189 Å²	189	137 Å²	137	88%	0.883	69%	0.689	S	S	*	*			trans	-85.3	106.5	179.7	-154.2	175.9	18.5	0	0	108.6
290	Y	30.5	Very low	34	Very low	222 Å²	222	138.5 Å²	138.5	87%	0.871	70%	0.699	S	S	*	*			trans	-148.2	152.9	156.8	-96.7	-78.4	0	0	0	109.6	S288	S288-Y290 PolarHBondContact O-N 3.19Å
291	D	34.4	Very low	33.9	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	71%	0.714	S	S	*	*	S	Bend	trans	-49	145.9	-158.2	-138.7	-19.5	0	0	0	117.8	S293	D291-S293 PolarHBondContact O-N 2.82Å
292	H	40.1	Very low	33.5	Very low	179 Å²	179	146.1 Å²	146.1	83%	0.829	74%	0.739	S	S	*	*	S	Bend	trans	29.2	77.1	166.8	-89	-76.4	0	0	0	119.4
293	S	34.2	Very low	33.4	Very low	106 Å²	106	143.9 Å²	143.9	74%	0.741	75%	0.748	S	S	*	*			trans	163.4	121	134.2	50	0	0	0	0	110.6	D291 K295	D291-S293 PolarHBondContact O-N 2.82Å; S293-K295 PolarHBondContact O-N 2.8Å
294	V	31.8	Very low	33.2	Very low	135 Å²	135	142.2 Å²	142.2	82%	0.818	75%	0.748	S	S	*	*			trans	-76.7	106.5	-177.3	-177.1	0	0	0	0	109.9	F296	V294-F296 HydrophobicContact CG1-CE2 4.25Å
295	K	28.2	Very low	33	Very low	181 Å²	181	146.7 Å²	146.7	79%	0.787	77%	0.766	S	S	*	*			trans	-114	124	162.7	-89.5	-178.6	176.9	175.9	0	110	S293 N297	S293-K295 PolarHBondContact O-N 2.8Å; K295-N297 PolarHBondContact O-N 3.14Å
296	F	35.5	Very low	33.3	Very low	182 Å²	182	145.9 Å²	145.9	80%	0.798	76%	0.76	S	S	*	*			trans	-74	111.6	171.8	-74	-91.3	0	0	0	109.7	V294	V294-F296 HydrophobicContact CG1-CE2 4.25Å
297	N	27.2	Very low	34.1	Very low	130 Å²	130	148.7 Å²	148.7	70%	0.695	77%	0.765	S	S	*	*			trans	-110.2	112.7	168	-80.8	-23.8	0	0	0	109.8	K295 V299	K295-N297 PolarHBondContact O-N 3.14Å; N297-V299 PolarHBondContact O-N 3.27Å
298	L	29.9	Very low	35.4	Very low	142 Å²	142	148.8 Å²	148.8	74%	0.743	77%	0.765	S	S	*	*			trans	-80.2	95.9	172.8	-163	83.6	0	0	0	108.2
299	V	31.4	Very low	37.7	Very low	122 Å²	122	146.3 Å²	146.3	74%	0.739	75%	0.746	S	S	*	*			trans	-89.7	109.6	174.3	-176.2	0	0	0	0	108.8	N297 L301	N297-V299 PolarHBondContact O-N 3.27Å; V299-L301 PolarHBondContact O-N 2.99Å
300	S	29	Very low	40.2	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	73%	0.73	S	S	*	*			trans	-67.8	109.4	166.9	171.9	0	0	0	0	108.7	N302	S300-N302 PolarHBondContact O-N 3.02Å
301	L	32.8	Very low	43.1	Very low	152 Å²	152	133.5 Å²	133.5	80%	0.796	69%	0.693	S	S	*	*			trans	-64.4	101	164.1	-79.9	162	0	0	0	107.4	V299 G303	V299-L301 PolarHBondContact O-N 2.99Å; L301-G303 PolarHBondContact O-N 3.43Å
302	N	31.4	Very low	45.9	Very low	144 Å²	144	126.9 Å²	126.9	77%	0.77	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-51.1	131.2	174	-80.6	-17.7	0	0	0	109.5	S300 T304	S300-N302 PolarHBondContact O-N 3.02Å; N302-T304 PolarHBondContact O-N 2.72Å
303	G	37.6	Very low	48.6	Very low	64 Å²	64	127 Å²	127	66%	0.66	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-56.5	119	-167.3	0	0	0	0	0	113.2	L301 E305	L301-G303 PolarHBondContact O-N 3.43Å; G303-E305 PolarHBondContact O-N 2.97Å
304	T	35.2	Very low	51.6	Low	110 Å²	110	124.1 Å²	124.1	68%	0.675	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-66.4	121.8	151.9	42.3	0	0	0	0	107.8	N302 Q306	N302-T304 PolarHBondContact O-N 2.72Å; T304-Q306 PolarHBondContact O-N 3.23Å; T304-Q306 VanDerWaalsContact O-N 3.15Å
305	E	36.8	Very low	54.6	Low	190 Å²	190	117.7 Å²	117.7	89%	0.888	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-54	119.4	168.1	-74.5	-171.8	145.7	0	0	108.2	G303 R307	G303-E305 PolarHBondContact O-N 2.97Å; E305-R307 PolarHBondContact O-N 3.47Å
306	Q	42.8	Very low	57.9	Low	93 Å²	93	109.2 Å²	109.2	44%	0.435	56%	0.557	S	S	.	*			trans	-63.2	101.6	169.8	-85.2	175.7	-19.8	0	0	107.7	E278 T304 K308	E278-Q306 PolarHBondContact OE1-NE2 3.27Å; E278-Q306 PolarHBondContact OE2-NE2 3.06Å; E278-Q306 PolarHBondContact OE2-OE1 3.04Å; T304-Q306 PolarHBondContact O-N 3.23Å; T304-Q306 VanDerWaalsContact O-N 3.15Å; Q306-K308 PolarHBondContact O-N 3.02Å; Q306-K308 VanDerWaalsContact O-N 3.16Å
307	R	51.8	Low	60.9	Low	239 Å²	239	104.2 Å²	104.2	90%	0.902	54%	0.539	S	S	*	.			trans	-55	122.1	162.1	-112.5	178.2	175.5	174.2	-1.8	106.7	E305 V309	E305-R307 PolarHBondContact O-N 3.47Å; R307-V309 PolarHBondContact O-N 2.81Å
308	K	60.5	Low	64.2	Low	203 Å²	203	98.7 Å²	98.7	88%	0.883	51%	0.509	S	S	*	.			trans	-58.9	111.7	172.1	-80.7	-179.7	-179.9	171.2	0	107.5	Q306 K310	Q306-K308 PolarHBondContact O-N 3.02Å; Q306-K308 VanDerWaalsContact O-N 3.16Å; K308-K310 PolarHBondContact O-N 2.93Å; K308-K310 VanDerWaalsContact O-N 3.1Å
309	V	75.2	Confident	67.5	Low	58 Å²	58	91.9 Å²	91.9	35%	0.352	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-58.4	116.3	173.3	177.8	0	0	0	0	108.2	C196 R307	C196-V309 VanDerWaalsContact O-CG1 3.26Å; C196-V309 WeakPolarHBondContact O-CG1 3.47Å; R307-V309 PolarHBondContact O-N 2.81Å
310	K	87.6	Confident	70.5	Confident	127 Å²	127	87.3 Å²	87.3	55%	0.552	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-82.1	133.7	174.1	-177	178.7	165.2	-126.4	0	107.7	E198 Q201 K308	E198-K310 VanDerWaalsContact CD-NZ 3.3Å; E198-K310 IonicContact OE1-NZ 3.96Å; E198-K310 PolarHBondContact OE1-NZ 3.38Å; E198-K310 IonicContact OE2-NZ 3.47Å; E198-K310 PolarHBondContact OE2-NZ 3.07Å; Q201-K310 PolarHBondContact NE2-O 3.46Å; K308-K310 PolarHBondContact O-N 2.93Å; K308-K310 VanDerWaalsContact O-N 3.1Å
311	V	91.3	Very high	73.7	Confident	15 Å²	15	84.2 Å²	84.2	9%	0.091	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-79.8	125.3	179.8	-176.8	0	0	0	0	108.8	K244 L246	K244-V311 HydrophobicContact CB-CG2 3.8Å; L246-V311 HydrophobicContact CD2-CB 4.24Å; L246-V311 HydrophobicContact CG-CB 4.42Å
312	A	94.9	Very high	76.7	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.2	144.2	173.4	0	0	0	0	0	110.5	E198 Q201 E202 A314 L315 S316	E198-A312 HydrophobicContact CG-CB 3.88Å; Q201-A312 HydrophobicContact CB-CB 3.57Å; E202-A312 HydrophobicContact CG-CB 4.34Å; A312-A314 PolarHBondContact O-N 3.25Å; A312-L315 PolarHBondContact O-N 2.98Å; A312-S316 WeakPolarHBondContact O-CB 3.18Å; A312-S316 PolarHBondContact O-N 2.86Å
313	R	95.9	Very high	79.8	Confident	182 Å²	182	72.1 Å²	72.1	69%	0.687	35%	0.352	S	S	*	.	H	α-helix	trans	-60.6	-45.2	-179.1	-176.1	173.2	-177.7	169.5	1	111.9	L246 L315 S316 D317	L246-R313 HydrophobicContact CD1-CB 4.22Å; R313-L315 VanDerWaalsContact C-N 3.32Å; R313-L315 PolarHBondContact O-N 2.92Å; R313-S316 WeakPolarHBondContact O-CB 3.45Å; R313-S316 PolarHBondContact O-N 2.92Å; R313-S316 VanDerWaalsContact O-N 3.11Å; R313-D317 WeakPolarHBondContact CG-OD2 3.24Å; R313-D317 IonicContact NE-OD2 2.82Å; R313-D317 VanDerWaalsContact O-CG 3.24Å; R313-D317 PolarHBondContact O-N 3.42Å
314	A	96.7	Very high	82.6	Confident	46 Å²	46	70.3 Å²	70.3	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-54.5	-46.5	179.2	0	0	0	0	0	112.3	A205 A312 D317	A205-A314 HydrophobicContact CB-CB 3.71Å; A312-A314 PolarHBondContact O-N 3.25Å; A314-D317 PolarHBondContact O-N 3.14Å
315	L	96.3	Very high	85.5	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-72.1	-36.4	178	-170.4	61.1	0	0	0	112.6	L192 Q201 M204 A205 L208 N243 A312 R313 D317 L318	L192-L315 HydrophobicContact CD1-CD1 3.98Å; Q201-L315 HydrophobicContact CB-CD2 4.14Å; Q201-L315 HydrophobicContact CG-CD2 4.05Å; M204-L315 HydrophobicContact CE-CD2 4.05Å; A205-L315 HydrophobicContact CB-CB 4.35Å; A205-L315 HydrophobicContact CB-CD1 4.49Å; L208-L315 HydrophobicContact CD1-CD1 3.77Å; N243-L315 VanDerWaalsContact ND2-CD2 3.35Å; N243-L315 WeakPolarHBondContact ND2-CD2 3.42Å; A312-L315 PolarHBondContact O-N 2.98Å; R313-L315 VanDerWaalsContact C-N 3.32Å; R313-L315 PolarHBondContact O-N 2.92Å; L315-D317 VanDerWaalsContact C-N 3.31Å; L315-D317 PolarHBondContact O-N 2.82Å; L315-L318 PolarHBondContact O-N 3.47Å
316	S	97	Very high	88.3	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.014	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-36.9	175.3	171.9	0	0	0	0	112.3	K245 L246 A312 R313 L318 V319	K245-S316 WeakPolarHBondContact CG-OG 3.48Å; K245-S316 PolarHBondContact NZ-O 3.34Å; L246-S316 WeakPolarHBondContact CB-OG 3.45Å; L246-S316 PolarHBondContact N-OG 2.92Å; A312-S316 WeakPolarHBondContact O-CB 3.18Å; A312-S316 PolarHBondContact O-N 2.86Å; R313-S316 WeakPolarHBondContact O-CB 3.45Å; R313-S316 PolarHBondContact O-N 2.92Å; R313-S316 VanDerWaalsContact O-N 3.11Å; S316-L318 VanDerWaalsContact C-N 3.28Å; S316-L318 PolarHBondContact O-N 3.01Å; S316-V319 PolarHBondContact O-N 3.39Å
317	D	97.3	Very high	90.9	Very high	78 Å²	78	61.2 Å²	61.2	42%	0.417	28%	0.28	S	S	.	.	H	α-helix	trans	-68.8	-28.4	-176.9	-70.2	-13.8	0	0	0	111.8	R313 A314 L315 V319 I320	R313-D317 WeakPolarHBondContact CG-OD2 3.24Å; R313-D317 IonicContact NE-OD2 2.82Å; R313-D317 VanDerWaalsContact O-CG 3.24Å; R313-D317 PolarHBondContact O-N 3.42Å; A314-D317 PolarHBondContact O-N 3.14Å; L315-D317 VanDerWaalsContact C-N 3.31Å; L315-D317 PolarHBondContact O-N 2.82Å; D317-V319 PolarHBondContact O-N 3.21Å; D317-I320 WeakPolarHBondContact O-CD1 3.32Å
318	L	97.9	Very high	93	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.068	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.7	174.2	-59.2	-178.5	0	0	0	114.7	A205 L208 L216 K218 I241 L315 S316 I320	A205-L318 HydrophobicContact CB-CD1 4.19Å; L208-L318 HydrophobicContact CB-CD1 3.93Å; L208-L318 HydrophobicContact CD1-CD1 3.93Å; L216-L318 HydrophobicContact CD2-CD1 4.23Å; L216-L318 HydrophobicContact CD2-CD2 3.92Å; K218-L318 HydrophobicContact CG-CD2 4.28Å; I241-L318 HydrophobicContact CB-CB 4.41Å; I241-L318 HydrophobicContact CG1-CB 4.16Å; L315-L318 PolarHBondContact O-N 3.47Å; S316-L318 VanDerWaalsContact C-N 3.28Å; S316-L318 PolarHBondContact O-N 3.01Å; L318-I320 PolarHBondContact O-N 3.4Å
319	V	97.5	Very high	94.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.			trans	-88.2	104.2	179.5	-177.3	0	0	0	0	110	I241 N243 K245 S316 D317 R323	I241-V319 HydrophobicContact CG2-CG2 4.38Å; N243-V319 HydrophobicContact CB-CG2 3.74Å; K245-V319 HydrophobicContact CB-CB 4.28Å; K245-V319 HydrophobicContact CB-CG1 4.22Å; K245-V319 HydrophobicContact CD-CB 4.37Å; K245-V319 WeakPolarHBondContact CD-O 3.39Å; K245-V319 WeakPolarHBondContact CE-O 2.78Å; K245-V319 HydrophobicContact CG-CB 4.36Å; K245-V319 PolarHBondContact NZ-O 3Å; S316-V319 PolarHBondContact O-N 3.39Å; D317-V319 PolarHBondContact O-N 3.21Å; V319-R323 HydrophobicContact CG1-CB 4.02Å
320	I	95.6	Very high	95.9	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.128	22%	0.222	C	C	.	.	S	Bend	trans	-101.7	-79.4	-176	-51.3	-55.5	0	0	0	111.3	L217 P220 D317 L318	L217-I320 HydrophobicContact CD2-CB 4.18Å; L217-I320 HydrophobicContact CD2-CG1 4.46Å; L217-I320 HydrophobicContact CD2-CG2 4.32Å; L217-I320 HydrophobicContact CG-CG1 4.48Å; P220-I320 HydrophobicContact CB-CG2 4.31Å; P220-I320 HydrophobicContact CG-CG2 4Å; D317-I320 WeakPolarHBondContact O-CD1 3.32Å; L318-I320 PolarHBondContact O-N 3.4Å
321	Y	95.8	Very high	96.3	Very high	28 Å²	28	42.5 Å²	42.5	11%	0.11	22%	0.216	C	C	.	.	S	Bend	trans	-95.7	-1.5	-173.3	-65	-62.4	0	0	0	114.6	L217 P220 L221 L229 P230 L240 Y340	L217-Y321 HydrophobicContact CD2-CD2 3.54Å; L217-Y321 HydrophobicContact CD2-CE2 3.74Å; P220-Y321 WeakPolarHBondContact CA-OH 3.5Å; L221-Y321 HydrophobicContact CG-CE2 4.32Å; L221-Y321 PolarHBondContact N-OH 2.81Å; L229-Y321 HydrophobicContact CD2-CD1 4.29Å; L229-Y321 HydrophobicContact CD2-CG 4.45Å; L229-Y321 WeakPolarHBondContact CD2-O 3.48Å; P230-Y321 HydrophobicContact CG-CD1 4.18Å; P230-Y321 HydrophobicContact CG-CD2 3.8Å; P230-Y321 HydrophobicContact CG-CE1 3.87Å; P230-Y321 HydrophobicContact CG-CE2 3.48Å; P230-Y321 VanDerWaalsContact CG-CE2 3.48Å; P230-Y321 HydrophobicContact CG-CG 4.14Å; L240-Y321 HydrophobicContact CD2-CD2 4.42Å; Y321-Y340 CarbonylContact C-O 3.53Å; Y321-Y340 CarbonylContact O-C 3.48Å; Y321-Y340 WeakPolarHBondContact O-CA 3.33Å; Y321-Y340 VanDerWaalsContact O-O 3.09Å
322	T	96.3	Very high	96.6	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.227	C	C	.	.			trans	-129.3	46	-170.7	51.5	0	0	0	0	112.3	I189 L240 I241 K242 S324 N342 L369	I189-T322 HydrophobicContact CG2-CG2 4.46Å; L240-T322 HydrophobicContact CD2-CG2 4.16Å; I241-T322 VanDerWaalsContact C-OG1 3.26Å; I241-T322 PolarHBondContact O-OG1 3.15Å; K242-T322 WeakPolarHBondContact CA-O 3.48Å; K242-T322 WeakPolarHBondContact CA-OG1 3.44Å; K242-T322 WeakPolarHBondContact CG-O 3.31Å; K242-T322 PolarHBondContact N-OG1 3.32Å; T322-S324 PolarHBondContact O-N 2.98Å; T322-N342 WeakPolarHBondContact CA-ND2 3.16Å; T322-N342 WeakPolarHBondContact CB-ND2 3.49Å; T322-N342 PolarHBondContact O-ND2 3.18Å; T322-L369 HydrophobicContact CG2-CD1 4.46Å
323	R	96.6	Very high	96.7	Very high	41 Å²	41	45 Å²	45	16%	0.155	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	122.8	174.6	-179.9	179.8	-173.9	-167.9	17.7	111.7	K245 V319 V325 Y340 E341 N342	K245-R323 HydrophobicContact CB-CG 3.8Å; K245-R323 PolarHBondContact O-NH2 2.86Å; V319-R323 HydrophobicContact CG1-CB 4.02Å; R323-V325 HydrophobicContact CG-CG1 4.32Å; R323-Y340 HydrophobicContact CB-CD2 4.24Å; R323-Y340 PolarHBondContact N-O 2.81Å; R323-E341 HydrophobicContact CB-CG 4.2Å; R323-E341 HydrophobicContact CG-CG 4.28Å; R323-E341 IonicContact CZ-OE1 3.69Å; R323-E341 IonicContact NE-OE1 3.34Å; R323-E341 IonicContact NH1-OE1 3.48Å; R323-E341 PolarHBondContact NH1-OE1 3.06Å; R323-E341 CarbonylContact O-C 3.1Å; R323-E341 VanDerWaalsContact O-CA 3.27Å; R323-E341 WeakPolarHBondContact O-CA 3.31Å; R323-N342 PolarHBondContact O-N 3.28Å; R323-N342 PolarHBondContact O-ND2 3.3Å
324	S	96.4	Very high	96.6	Very high	26 Å²	26	43 Å²	43	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.1	175.8	-69.3	0	0	0	0	112.9	K242 N243 T322 N342	K242-S324 WeakPolarHBondContact CE-OG 3.44Å; K242-S324 WeakPolarHBondContact CG-OG 3.28Å; K242-S324 PolarHBondContact NZ-OG 3.2Å; K242-S324 VanDerWaalsContact NZ-OG 3.11Å; N243-S324 PolarHBondContact O-N 2.91Å; T322-S324 PolarHBondContact O-N 2.98Å; S324-N342 VanDerWaalsContact CA-OD1 3.28Å; S324-N342 WeakPolarHBondContact CA-OD1 3.47Å; S324-N342 PolarHBondContact OG-OD1 2.95Å
325	V	96.4	Very high	96.6	Very high	42 Å²	42	45.4 Å²	45.4	26%	0.255	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.7	176.1	-58.8	0	0	0	0	111.9	R323 Q337 E341 N342 T343	R323-V325 HydrophobicContact CG-CG1 4.32Å; V325-Q337 HydrophobicContact CG2-CG 4.46Å; V325-E341 HydrophobicContact CG1-CB 3.97Å; V325-E341 HydrophobicContact CG1-CG 3.85Å; V325-E341 HydrophobicContact CG2-CB 3.9Å; V325-N342 WeakPolarHBondContact CG2-O 3.45Å; V325-N342 PolarHBondContact N-O 3.15Å; V325-T343 HydrophobicContact CG2-CG2 4.04Å
326	K	95.7	Very high	96.5	Very high	150 Å²	150	50 Å²	50	65%	0.652	25%	0.251	S	S	*	.			trans	-75.7	128.1	175.3	-176.3	-178.2	178.2	-175.4	0	109.1	E274 I328	E274-K326 IonicContact OE1-NZ 3.63Å; E274-K326 PolarHBondContact OE1-NZ 2.71Å; K326-I328 PolarHBondContact O-N 3.3Å
327	F	96.9	Very high	96.4	Very high	9 Å²	9	50.7 Å²	50.7	4%	0.039	25%	0.254	C	S	.	.			trans	-68.3	121.5	168.2	-179.9	-99.3	0	0	0	111.6	S329 F330 T343 M345 K349 L353	F327-S329 VanDerWaalsContact CZ-C 3.5Å; F327-F330 AromaticContact CE2-CD1 3.66Å; F327-F330 HydrophobicContact CE2-CD1 3.66Å; F327-F330 AromaticContact CE2-CE1 3.81Å; F327-F330 HydrophobicContact CE2-CE1 3.81Å; F327-F330 HydrophobicContact CE2-CG 4.43Å; F327-F330 AromaticContact CZ-CD1 3.63Å; F327-F330 HydrophobicContact CZ-CD1 3.63Å; F327-F330 AromaticContact CZ-CE1 3.66Å; F327-F330 HydrophobicContact CZ-CE1 3.66Å; F327-F330 HydrophobicContact CZ-CG 4.08Å; F327-F330 HydrophobicContact CZ-CZ 4.15Å; F327-T343 HydrophobicContact CB-CG2 3.95Å; F327-T343 HydrophobicContact CD2-CG2 4.29Å; F327-M345 HydrophobicContact CB-CE 3.59Å; F327-M345 HydrophobicContact CB-CG 4.47Å; F327-M345 HydrophobicContact CB-SD 4.17Å; F327-M345 HydrophobicContact CD1-CE 3.66Å; F327-M345 HydrophobicContact CD1-SD 3.87Å; F327-M345 HydrophobicContact CD2-CE 3.28Å; F327-M345 HydrophobicContact CE1-CE 4.09Å; F327-M345 HydrophobicContact CE1-SD 4.36Å; F327-M345 HydrophobicContact CE2-CE 3.74Å; F327-M345 HydrophobicContact CG-CE 3.2Å; F327-M345 HydrophobicContact CG-SD 3.94Å; F327-M345 HydrophobicContact CZ-CE 4.11Å; F327-K349 PolarHBondContact O-NZ 3.47Å; F327-L353 HydrophobicContact CD1-CD1 4.28Å; F327-L353 HydrophobicContact CE1-CD1 3.66Å; F327-L353 HydrophobicContact CE1-CD2 4.01Å; F327-L353 HydrophobicContact CZ-CD1 4.05Å; F327-L353 HydrophobicContact CZ-CD2 4.39Å
328	I	96.4	Very high	96.2	Very high	105 Å²	105	50.3 Å²	50.3	54%	0.538	25%	0.251	S	S	.	.			trans	-97.1	-63.8	176.4	-67.1	165.3	0	0	0	110.1	K326 H332	K326-I328 PolarHBondContact O-N 3.3Å; I328-H332 HydrophobicContact CB-CB 4.09Å; I328-H332 WeakPolarHBondContact CD1-NE2 3.27Å; I328-H332 HydrophobicContact CG2-CB 3.93Å
329	S	97.6	Very high	95.9	Very high	36 Å²	36	51.2 Å²	51.2	25%	0.252	26%	0.259	S	S	.	.			trans	-160.1	166.1	174.8	67.8	0	0	0	0	110.2	F327 S331 H332 S333	F327-S329 VanDerWaalsContact CZ-C 3.5Å; S329-S331 VanDerWaalsContact C-N 3.34Å; S329-S331 PolarHBondContact OG-OG 3.29Å; S329-H332 PolarHBondContact O-N 2.95Å; S329-H332 VanDerWaalsContact OG-CB 3.31Å; S329-H332 WeakPolarHBondContact OG-CB 3.31Å; S329-H332 PolarHBondContact OG-N 2.83Å; S329-S333 WeakPolarHBondContact O-CB 3.32Å; S329-S333 PolarHBondContact O-N 3Å; S329-S333 PolarHBondContact O-OG 2.73Å
330	F	97.5	Very high	95.6	Very high	32 Å²	32	55.2 Å²	55.2	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-40.3	174.2	-63.2	-52.2	0	0	0	112.3	F327 S333 R334 L353 S360 F361 H364	F327-F330 AromaticContact CE2-CD1 3.66Å; F327-F330 HydrophobicContact CE2-CD1 3.66Å; F327-F330 AromaticContact CE2-CE1 3.81Å; F327-F330 HydrophobicContact CE2-CE1 3.81Å; F327-F330 HydrophobicContact CE2-CG 4.43Å; F327-F330 AromaticContact CZ-CD1 3.63Å; F327-F330 HydrophobicContact CZ-CD1 3.63Å; F327-F330 AromaticContact CZ-CE1 3.66Å; F327-F330 HydrophobicContact CZ-CE1 3.66Å; F327-F330 HydrophobicContact CZ-CG 4.08Å; F327-F330 HydrophobicContact CZ-CZ 4.15Å; F330-S333 PolarHBondContact O-N 2.95Å; F330-R334 WeakPolarHBondContact O-CB 3.43Å; F330-R334 PolarHBondContact O-N 3.24Å; F330-L353 HydrophobicContact CE2-CB 4.2Å; F330-L353 HydrophobicContact CE2-CD2 4.07Å; F330-L353 HydrophobicContact CZ-CB 3.95Å; F330-L353 HydrophobicContact CZ-CD1 4.16Å; F330-L353 HydrophobicContact CZ-CD2 4.24Å; F330-L353 HydrophobicContact CZ-CG 4.35Å; F330-S360 VanDerWaalsContact CD2-CB 3.49Å; F330-F361 HydrophobicContact CE1-CB 3.94Å; F330-F361 AromaticContact CE1-CD2 3.56Å; F330-F361 HydrophobicContact CE1-CD2 3.56Å; F330-F361 HydrophobicContact CE1-CE2 4.18Å; F330-F361 AromaticContact CE1-CG 3.77Å; F330-F361 HydrophobicContact CE1-CG 3.77Å; F330-F361 HydrophobicContact CE2-CB 4.21Å; F330-F361 HydrophobicContact CZ-CB 3.49Å; F330-F361 VanDerWaalsContact CZ-CB 3.49Å; F330-F361 AromaticContact CZ-CD1 3.92Å; F330-F361 HydrophobicContact CZ-CD1 3.92Å; F330-F361 AromaticContact CZ-CD2 3.78Å; F330-F361 HydrophobicContact CZ-CD2 3.78Å; F330-F361 HydrophobicContact CZ-CE2 4.47Å; F330-F361 AromaticContact CZ-CG 3.47Å; F330-F361 HydrophobicContact CZ-CG 3.47Å; F330-F361 VanDerWaalsContact CZ-CG 3.47Å; F330-H364 HydrophobicContact CD1-CB 3.68Å; F330-H364 AromaticContact CD1-CG 3.93Å; F330-H364 HydrophobicContact CE1-CB 3.96Å
331	S	97.3	Very high	95.6	Very high	61 Å²	61	54.9 Å²	54.9	43%	0.427	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-49	175.3	52.6	0	0	0	0	111.9	S329 S333 R334 D335	S329-S331 VanDerWaalsContact C-N 3.34Å; S329-S331 PolarHBondContact OG-OG 3.29Å; S331-S333 VanDerWaalsContact C-N 3.29Å; S331-S333 PolarHBondContact O-N 2.88Å; S331-R334 PolarHBondContact O-N 3.38Å; S331-D335 WeakPolarHBondContact O-CB 3.49Å; S331-D335 PolarHBondContact O-N 2.81Å; S331-D335 VanDerWaalsContact O-N 3.09Å; S331-D335 VanDerWaalsContact O-OD2 3.11Å
332	H	97.1	Very high	95.6	Very high	69 Å²	69	53.6 Å²	53.6	32%	0.319	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-43.1	177.5	-179.5	79.9	0	0	0	111.4	I328 S329 D335 N336	I328-H332 HydrophobicContact CB-CB 4.09Å; I328-H332 WeakPolarHBondContact CD1-NE2 3.27Å; I328-H332 HydrophobicContact CG2-CB 3.93Å; S329-H332 PolarHBondContact O-N 2.95Å; S329-H332 VanDerWaalsContact OG-CB 3.31Å; S329-H332 WeakPolarHBondContact OG-CB 3.31Å; S329-H332 PolarHBondContact OG-N 2.83Å; H332-D335 PolarHBondContact O-N 2.74Å; H332-N336 PolarHBondContact ND1-ND2 2.83Å; H332-N336 VanDerWaalsContact O-CB 3.31Å; H332-N336 WeakPolarHBondContact O-CB 3.31Å; H332-N336 PolarHBondContact O-N 3.44Å; H332-N336 PolarHBondContact O-ND2 2.92Å
333	S	96.4	Very high	95.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-46.4	178.7	-49.7	0	0	0	0	111.2	S329 F330 S331 D335 Q337 H364 F368	S329-S333 WeakPolarHBondContact O-CB 3.32Å; S329-S333 PolarHBondContact O-N 3Å; S329-S333 PolarHBondContact O-OG 2.73Å; F330-S333 PolarHBondContact O-N 2.95Å; S331-S333 VanDerWaalsContact C-N 3.29Å; S331-S333 PolarHBondContact O-N 2.88Å; S333-D335 PolarHBondContact O-N 3.05Å; S333-Q337 WeakPolarHBondContact O-CB 3.33Å; S333-Q337 PolarHBondContact O-N 3.02Å; S333-Q337 PolarHBondContact OG-OE1 2.76Å; S333-H364 WeakPolarHBondContact CB-ND1 3.34Å; S333-F368 WeakPolarHBondContact O-CZ 3.44Å
334	R	94.6	Very high	95.7	Very high	138 Å²	138	53.6 Å²	53.6	52%	0.521	27%	0.274	S	S	.	.	H	α-helix	trans	-56.9	-40.6	178.4	-179	-170.5	63.6	-147.8	-7.5	112.4	F330 S331 R367	F330-R334 WeakPolarHBondContact O-CB 3.43Å; F330-R334 PolarHBondContact O-N 3.24Å; S331-R334 PolarHBondContact O-N 3.38Å; R334-R367 PolarHBondContact O-NH1 3.09Å; R334-R367 VanDerWaalsContact O-NH1 3.09Å
335	D	95.9	Very high	95.7	Very high	98 Å²	98	52.5 Å²	52.5	52%	0.524	27%	0.266	S	S	.	.	H	α-helix	trans	-93.9	-21.3	-169.3	-56.1	-21.8	0	0	0	112.9	S331 H332 S333	S331-D335 WeakPolarHBondContact O-CB 3.49Å; S331-D335 PolarHBondContact O-N 2.81Å; S331-D335 VanDerWaalsContact O-N 3.09Å; S331-D335 VanDerWaalsContact O-OD2 3.11Å; H332-D335 PolarHBondContact O-N 2.74Å; S333-D335 PolarHBondContact O-N 3.05Å
336	N	95.1	Very high	95.8	Very high	97 Å²	97	50.9 Å²	50.9	52%	0.519	26%	0.256	S	S	.	.	H	α-helix	trans	-135.5	-13.6	-169.5	-53	-92.8	0	0	0	115.5	H332	H332-N336 PolarHBondContact ND1-ND2 2.83Å; H332-N336 VanDerWaalsContact O-CB 3.31Å; H332-N336 WeakPolarHBondContact O-CB 3.31Å; H332-N336 PolarHBondContact O-N 3.44Å; H332-N336 PolarHBondContact O-ND2 2.92Å
337	Q	94.4	Very high	95.9	Very high	16 Å²	16	44 Å²	44	8%	0.075	23%	0.227	C	C	.	.			trans	-90.6	137.8	-176.4	-172.9	175.8	-32.4	0	0	110.9	V325 S333 E341 F368	V325-Q337 HydrophobicContact CG2-CG 4.46Å; S333-Q337 WeakPolarHBondContact O-CB 3.33Å; S333-Q337 PolarHBondContact O-N 3.02Å; S333-Q337 PolarHBondContact OG-OE1 2.76Å; Q337-E341 HydrophobicContact CG-CB 3.67Å; Q337-E341 PolarHBondContact NE2-O 3.33Å; Q337-F368 HydrophobicContact CB-CD1 4.48Å; Q337-F368 HydrophobicContact CB-CE1 3.85Å; Q337-F368 HydrophobicContact CB-CE2 4.48Å; Q337-F368 HydrophobicContact CB-CZ 3.83Å; Q337-F368 HydrophobicContact CG-CD1 3.9Å; Q337-F368 HydrophobicContact CG-CE1 3.71Å; Q337-F368 HydrophobicContact CG-CZ 4.15Å; Q337-F368 WeakPolarHBondContact O-CE1 3.35Å; Q337-F368 WeakPolarHBondContact O-CZ 3.15Å
338	N	93.2	Very high	95.9	Very high	69 Å²	69	47.9 Å²	47.9	37%	0.369	24%	0.243	S	C	.	.			trans	-85.7	152.5	176.1	-58.4	-77.4	0	0	0	110.9	Y340 E341 F368	N338-Y340 HydrophobicContact CB-CD1 3.93Å; N338-Y340 HydrophobicContact CB-CD2 4.33Å; N338-Y340 HydrophobicContact CB-CE1 3.49Å; N338-Y340 VanDerWaalsContact CB-CE1 3.49Å; N338-Y340 HydrophobicContact CB-CE2 3.91Å; N338-Y340 HydrophobicContact CB-CG 4.33Å; N338-Y340 VanDerWaalsContact CB-CZ 3.47Å; N338-Y340 PolarHBondContact O-N 3.05Å; N338-E341 HydrophobicContact CB-CG 4.15Å; N338-E341 PolarHBondContact N-OE2 2.9Å; N338-E341 PolarHBondContact ND2-OE2 3.34Å; N338-E341 VanDerWaalsContact O-CB 3.31Å; N338-E341 WeakPolarHBondContact O-CB 3.47Å; N338-E341 PolarHBondContact O-N 2.95Å; N338-F368 WeakPolarHBondContact O-CD1 3.23Å; N338-F368 WeakPolarHBondContact O-CE1 3.14Å
339	C	90.9	Very high	96	Very high	33 Å²	33	46.9 Å²	46.9	22%	0.223	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34	-177.8	59.2	0	0	0	0	113.7	G227 E341	G227-C339 VanDerWaalsContact O-CB 3.25Å; G227-C339 WeakPolarHBondContact O-CB 3.11Å; G227-C339 PolarHBondContact O-SG 2.81Å; C339-E341 PolarHBondContact O-N 3.22Å
340	Y	92.2	Very high	96	Very high	84 Å²	84	45.2 Å²	45.2	33%	0.329	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	1.8	176.8	58.5	-101.7	0	0	0	113.8	Y321 R323 N338	Y321-Y340 CarbonylContact C-O 3.53Å; Y321-Y340 CarbonylContact O-C 3.48Å; Y321-Y340 WeakPolarHBondContact O-CA 3.33Å; Y321-Y340 VanDerWaalsContact O-O 3.09Å; R323-Y340 HydrophobicContact CB-CD2 4.24Å; R323-Y340 PolarHBondContact N-O 2.81Å; N338-Y340 HydrophobicContact CB-CD1 3.93Å; N338-Y340 HydrophobicContact CB-CD2 4.33Å; N338-Y340 HydrophobicContact CB-CE1 3.49Å; N338-Y340 VanDerWaalsContact CB-CE1 3.49Å; N338-Y340 HydrophobicContact CB-CE2 3.91Å; N338-Y340 HydrophobicContact CB-CG 4.33Å; N338-Y340 VanDerWaalsContact CB-CZ 3.47Å; N338-Y340 PolarHBondContact O-N 3.05Å
341	E	95.5	Very high	96	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.7	175.7	-65.4	177.8	146.3	0	0	110.8	R323 V325 Q337 N338 C339	R323-E341 HydrophobicContact CB-CG 4.2Å; R323-E341 HydrophobicContact CG-CG 4.28Å; R323-E341 IonicContact CZ-OE1 3.69Å; R323-E341 IonicContact NE-OE1 3.34Å; R323-E341 IonicContact NH1-OE1 3.48Å; R323-E341 PolarHBondContact NH1-OE1 3.06Å; R323-E341 CarbonylContact O-C 3.1Å; R323-E341 VanDerWaalsContact O-CA 3.27Å; R323-E341 WeakPolarHBondContact O-CA 3.31Å; V325-E341 HydrophobicContact CG1-CB 3.97Å; V325-E341 HydrophobicContact CG1-CG 3.85Å; V325-E341 HydrophobicContact CG2-CB 3.9Å; Q337-E341 HydrophobicContact CG-CB 3.67Å; Q337-E341 PolarHBondContact NE2-O 3.33Å; N338-E341 HydrophobicContact CB-CG 4.15Å; N338-E341 PolarHBondContact N-OE2 2.9Å; N338-E341 PolarHBondContact ND2-OE2 3.34Å; N338-E341 VanDerWaalsContact O-CB 3.31Å; N338-E341 WeakPolarHBondContact O-CB 3.47Å; N338-E341 PolarHBondContact O-N 2.95Å; C339-E341 PolarHBondContact O-N 3.22Å
342	N	94.9	Very high	96	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	156.8	178.3	58.2	65.3	0	0	0	112	K242 T322 R323 S324 V325 L369	K242-N342 VanDerWaalsContact CE-OD1 3.23Å; K242-N342 WeakPolarHBondContact CE-OD1 3.29Å; T322-N342 WeakPolarHBondContact CA-ND2 3.16Å; T322-N342 WeakPolarHBondContact CB-ND2 3.49Å; T322-N342 PolarHBondContact O-ND2 3.18Å; R323-N342 PolarHBondContact O-N 3.28Å; R323-N342 PolarHBondContact O-ND2 3.3Å; S324-N342 VanDerWaalsContact CA-OD1 3.28Å; S324-N342 WeakPolarHBondContact CA-OD1 3.47Å; S324-N342 PolarHBondContact OG-OD1 2.95Å; V325-N342 WeakPolarHBondContact CG2-O 3.45Å; V325-N342 PolarHBondContact N-O 3.15Å; N342-L369 WeakPolarHBondContact CA-O 3.45Å; N342-L369 HydrophobicContact CB-CB 4Å; N342-L369 VanDerWaalsContact CB-O 3.32Å; N342-L369 WeakPolarHBondContact CB-O 3.49Å
343	T	97.1	Very high	96.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.6	177.4	67.5	0	0	0	0	111.3	V325 F327 L369 R371	V325-T343 HydrophobicContact CG2-CG2 4.04Å; F327-T343 HydrophobicContact CB-CG2 3.95Å; F327-T343 HydrophobicContact CD2-CG2 4.29Å; T343-L369 PolarHBondContact N-O 2.88Å; T343-L369 VanDerWaalsContact N-O 3.17Å; T343-R371 PolarHBondContact O-N 3.01Å
344	S	97.9	Very high	96.1	Very high	42 Å²	42	51.5 Å²	51.5	29%	0.294	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.2	170.6	-64.5	0	0	0	0	110	K242 R371	K242-S344 PolarHBondContact NZ-OG 3.18Å; S344-R371 CarbonylContact C-O 3.54Å; S344-R371 VanDerWaalsContact CA-O 3.3Å; S344-R371 WeakPolarHBondContact CA-O 3.48Å
345	M	97.3	Very high	96.1	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136.7	177.2	-50.8	-165.7	-145.4	0	0	112	F327 K349 L353 F361 R371 I372 Y373	F327-M345 HydrophobicContact CB-CE 3.59Å; F327-M345 HydrophobicContact CB-CG 4.47Å; F327-M345 HydrophobicContact CB-SD 4.17Å; F327-M345 HydrophobicContact CD1-CE 3.66Å; F327-M345 HydrophobicContact CD1-SD 3.87Å; F327-M345 HydrophobicContact CD2-CE 3.28Å; F327-M345 HydrophobicContact CE1-CE 4.09Å; F327-M345 HydrophobicContact CE1-SD 4.36Å; F327-M345 HydrophobicContact CE2-CE 3.74Å; F327-M345 HydrophobicContact CG-CE 3.2Å; F327-M345 HydrophobicContact CG-SD 3.94Å; F327-M345 HydrophobicContact CZ-CE 4.11Å; M345-K349 HydrophobicContact CB-CD 4.41Å; M345-K349 HydrophobicContact CG-CD 4.45Å; M345-K349 HydrophobicContact SD-CD 4.18Å; M345-K349 HydrophobicContact SD-CG 4.37Å; M345-L353 HydrophobicContact CE-CD1 4.06Å; M345-L353 HydrophobicContact SD-CD1 3.39Å; M345-L353 WeakPolarHBondContact SD-CD1 3.31Å; M345-F361 HydrophobicContact CE-CZ 4.46Å; M345-R371 PolarHBondContact N-O 3.36Å; M345-I372 HydrophobicContact CB-CD1 4.34Å; M345-I372 WeakPolarHBondContact O-CA 3.49Å; M345-Y373 WeakPolarHBondContact O-CD1 3.29Å; M345-Y373 PolarHBondContact O-N 3.48Å
346	A	97.8	Very high	96.1	Very high	7 Å²	7	53.2 Å²	53.2	6%	0.058	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	147.7	170.6	0	0	0	0	0	111.1	K348 K349 A350 Y373	A346-K348 PolarHBondContact O-N 2.84Å; A346-K349 PolarHBondContact O-N 3.46Å; A346-A350 PolarHBondContact O-N 3.19Å; A346-A350 VanDerWaalsContact O-N 3.09Å; A346-Y373 HydrophobicContact CB-CE1 4.44Å; A346-Y373 HydrophobicContact CB-CE2 3.89Å; A346-Y373 VanDerWaalsContact N-CE1 3.28Å
347	E	97.8	Very high	96	Very high	7 Å²	7	50.3 Å²	50.3	3%	0.033	25%	0.253	C	S	.	.	H	α-helix	trans	-49.4	-36.7	-177.1	74	178.1	135.7	0	0	113.2	A350 R351 I372 Y373 A375 R378 Y384 F389	E347-A350 PolarHBondContact O-N 3.43Å; E347-R351 WeakPolarHBondContact O-CB 3.42Å; E347-R351 VanDerWaalsContact O-CG 3.29Å; E347-R351 WeakPolarHBondContact O-CG 3.23Å; E347-R351 PolarHBondContact O-N 3.32Å; E347-R351 IonicContact OE2-CZ 3.6Å; E347-R351 IonicContact OE2-NE 3.89Å; E347-R351 IonicContact OE2-NH2 3.36Å; E347-R351 PolarHBondContact OE2-NH2 3.42Å; E347-I372 HydrophobicContact CB-CG2 4.45Å; E347-Y373 PolarHBondContact N-O 2.89Å; E347-A375 HydrophobicContact CG-CB 4.08Å; E347-A375 VanDerWaalsContact OE1-CB 3.29Å; E347-A375 WeakPolarHBondContact OE1-CB 3.41Å; E347-A375 PolarHBondContact OE1-N 3.04Å; E347-A375 VanDerWaalsContact OE1-N 3.07Å; E347-R378 WeakPolarHBondContact OE1-CD 3.27Å; E347-R378 IonicContact OE1-CZ 3.97Å; E347-R378 IonicContact OE1-NE 3.59Å; E347-R378 PolarHBondContact OE1-NE 3.16Å; E347-R378 IonicContact OE1-NH2 3.59Å; E347-R378 PolarHBondContact OE1-NH2 3.46Å; E347-R378 IonicContact OE2-CZ 2.66Å; E347-R378 IonicContact OE2-NE 2.83Å; E347-R378 IonicContact OE2-NH2 3.26Å; E347-R378 PolarHBondContact OE2-NH2 2.65Å; E347-Y384 HydrophobicContact CB-CD1 4.17Å; E347-Y384 HydrophobicContact CB-CG 4.41Å; E347-Y384 WeakPolarHBondContact OE2-CB 3.47Å; E347-F389 HydrophobicContact CB-CE2 4.24Å; E347-F389 HydrophobicContact CB-CZ 3.88Å
348	K	97.4	Very high	96	Very high	89 Å²	89	50 Å²	50	39%	0.387	25%	0.253	S	S	.	.	H	α-helix	trans	-68.2	-40	-176.9	-68.3	177	-170.7	157	0	110.9	E277 A346 K352 A375 S377	E277-K348 IonicContact OE1-NZ 3.93Å; E277-K348 PolarHBondContact OE1-NZ 3.4Å; E277-K348 VanDerWaalsContact OE1-NZ 3.17Å; A346-K348 PolarHBondContact O-N 2.84Å; K348-K352 WeakPolarHBondContact O-CG 3.18Å; K348-K352 PolarHBondContact O-N 3.22Å; K348-A375 HydrophobicContact CD-CB 4.22Å; K348-A375 HydrophobicContact CG-CB 4.3Å; K348-S377 PolarHBondContact NZ-OG 3.37Å
349	K	97.9	Very high	96	Very high	85 Å²	85	48.2 Å²	48.2	37%	0.37	25%	0.245	S	C	.	.	H	α-helix	trans	-68.5	-46	176.2	-177.8	177.5	177.6	-178.8	0	109.9	F327 M345 A346 R351 K352 L353	F327-K349 PolarHBondContact O-NZ 3.47Å; M345-K349 HydrophobicContact CB-CD 4.41Å; M345-K349 HydrophobicContact CG-CD 4.45Å; M345-K349 HydrophobicContact SD-CD 4.18Å; M345-K349 HydrophobicContact SD-CG 4.37Å; A346-K349 PolarHBondContact O-N 3.46Å; K349-R351 PolarHBondContact O-N 3.4Å; K349-K352 WeakPolarHBondContact O-CB 3.31Å; K349-K352 PolarHBondContact O-N 3.48Å; K349-K352 VanDerWaalsContact O-N 3.16Å; K349-L353 HydrophobicContact CG-CD1 4.39Å; K349-L353 WeakPolarHBondContact O-CG 3.37Å; K349-L353 PolarHBondContact O-N 3.28Å
350	A	98.1	Very high	96.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-45.1	178.5	0	0	0	0	0	112.2	A346 E347 K352 L353 I354 F361 I372 F389	A346-A350 PolarHBondContact O-N 3.19Å; A346-A350 VanDerWaalsContact O-N 3.09Å; E347-A350 PolarHBondContact O-N 3.43Å; A350-K352 VanDerWaalsContact C-N 3.32Å; A350-K352 PolarHBondContact O-N 2.79Å; A350-L353 WeakPolarHBondContact O-CB 3.46Å; A350-L353 PolarHBondContact O-N 2.74Å; A350-L353 VanDerWaalsContact O-N 3.13Å; A350-I354 WeakPolarHBondContact O-CG1 3.29Å; A350-I354 PolarHBondContact O-N 3.18Å; A350-F361 HydrophobicContact CB-CE1 4.3Å; A350-I372 HydrophobicContact CB-CD1 3.73Å; A350-I372 HydrophobicContact CB-CG1 4.44Å; A350-I372 HydrophobicContact CB-CG2 4.12Å; A350-F389 HydrophobicContact CB-CD1 3.94Å; A350-F389 HydrophobicContact CB-CE1 3.41Å; A350-F389 VanDerWaalsContact CB-CE1 3.41Å; A350-F389 HydrophobicContact CB-CZ 4.26Å
351	R	97.7	Very high	96.5	Very high	79 Å²	79	44.4 Å²	44.4	30%	0.298	23%	0.232	S	C	.	.	H	α-helix	trans	-59.4	-39.9	174.1	-72.7	179	-151	-113	3	112.9	E347 K349 L353 I354 K355 E388 F389	E347-R351 WeakPolarHBondContact O-CB 3.42Å; E347-R351 VanDerWaalsContact O-CG 3.29Å; E347-R351 WeakPolarHBondContact O-CG 3.23Å; E347-R351 PolarHBondContact O-N 3.32Å; E347-R351 IonicContact OE2-CZ 3.6Å; E347-R351 IonicContact OE2-NE 3.89Å; E347-R351 IonicContact OE2-NH2 3.36Å; E347-R351 PolarHBondContact OE2-NH2 3.42Å; K349-R351 PolarHBondContact O-N 3.4Å; R351-L353 VanDerWaalsContact C-N 3.33Å; R351-I354 PolarHBondContact O-N 3.2Å; R351-K355 WeakPolarHBondContact O-CG 3.48Å; R351-K355 PolarHBondContact O-N 2.92Å; R351-E388 IonicContact CZ-OE1 3.42Å; R351-E388 IonicContact CZ-OE2 3.71Å; R351-E388 IonicContact NE-OE1 2.66Å; R351-E388 PolarHBondContact NE-OE1 3.23Å; R351-E388 IonicContact NE-OE2 3.03Å; R351-E388 PolarHBondContact NE-OE2 2.93Å; R351-E388 VanDerWaalsContact NH1-CD 3.26Å; R351-E388 IonicContact NH1-OE1 3.57Å; R351-E388 PolarHBondContact NH1-OE1 3.17Å; R351-E388 IonicContact NH1-OE2 3.76Å; R351-E388 PolarHBondContact NH1-OE2 3.35Å; R351-E388 IonicContact NH2-OE1 2.92Å; R351-E388 PolarHBondContact NH2-OE1 3.29Å; R351-E388 IonicContact NH2-OE2 3.95Å; R351-F389 HydrophobicContact CG-CE1 4.12Å; R351-F389 HydrophobicContact CG-CZ 3.95Å
352	K	97.9	Very high	96.6	Very high	147 Å²	147	43.8 Å²	43.8	64%	0.639	23%	0.229	S	C	*	.	H	α-helix	trans	-62.9	-41.6	175.7	-74.5	175.8	-178.2	-178.8	0	111.2	K348 K349 A350 K355 A356	K348-K352 WeakPolarHBondContact O-CG 3.18Å; K348-K352 PolarHBondContact O-N 3.22Å; K349-K352 WeakPolarHBondContact O-CB 3.31Å; K349-K352 PolarHBondContact O-N 3.48Å; K349-K352 VanDerWaalsContact O-N 3.16Å; A350-K352 VanDerWaalsContact C-N 3.32Å; A350-K352 PolarHBondContact O-N 2.79Å; K352-K355 PolarHBondContact O-N 3.09Å; K352-A356 WeakPolarHBondContact O-CB 3.34Å; K352-A356 PolarHBondContact O-N 3.19Å
353	L	97.5	Very high	96.6	Very high	31 Å²	31	48.2 Å²	48.2	16%	0.162	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-41.8	176.7	-67.8	171.4	0	0	0	112	F327 F330 M345 K349 A350 R351 K355 A356 S357 F361	F327-L353 HydrophobicContact CD1-CD1 4.28Å; F327-L353 HydrophobicContact CE1-CD1 3.66Å; F327-L353 HydrophobicContact CE1-CD2 4.01Å; F327-L353 HydrophobicContact CZ-CD1 4.05Å; F327-L353 HydrophobicContact CZ-CD2 4.39Å; F330-L353 HydrophobicContact CE2-CB 4.2Å; F330-L353 HydrophobicContact CE2-CD2 4.07Å; F330-L353 HydrophobicContact CZ-CB 3.95Å; F330-L353 HydrophobicContact CZ-CD1 4.16Å; F330-L353 HydrophobicContact CZ-CD2 4.24Å; F330-L353 HydrophobicContact CZ-CG 4.35Å; M345-L353 HydrophobicContact CE-CD1 4.06Å; M345-L353 HydrophobicContact SD-CD1 3.39Å; M345-L353 WeakPolarHBondContact SD-CD1 3.31Å; K349-L353 HydrophobicContact CG-CD1 4.39Å; K349-L353 WeakPolarHBondContact O-CG 3.37Å; K349-L353 PolarHBondContact O-N 3.28Å; A350-L353 WeakPolarHBondContact O-CB 3.46Å; A350-L353 PolarHBondContact O-N 2.74Å; A350-L353 VanDerWaalsContact O-N 3.13Å; R351-L353 VanDerWaalsContact C-N 3.33Å; L353-K355 VanDerWaalsContact C-N 3.35Å; L353-K355 PolarHBondContact O-N 2.8Å; L353-A356 PolarHBondContact O-N 2.94Å; L353-S357 CarbonylContact O-C 3.58Å; L353-S357 PolarHBondContact O-N 2.84Å; L353-F361 HydrophobicContact CB-CD1 4.13Å; L353-F361 HydrophobicContact CB-CE1 4.2Å
354	I	96.4	Very high	96.6	Very high	38 Å²	38	48.5 Å²	48.5	20%	0.195	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-47.7	174.2	-66.7	169.9	0	0	0	110.6	A350 R351 A356 A358 F361 F389 V392	A350-I354 WeakPolarHBondContact O-CG1 3.29Å; A350-I354 PolarHBondContact O-N 3.18Å; R351-I354 PolarHBondContact O-N 3.2Å; I354-A356 VanDerWaalsContact C-N 3.28Å; I354-A356 PolarHBondContact O-N 2.81Å; I354-A358 HydrophobicContact CG2-CB 4.32Å; I354-A358 PolarHBondContact O-N 2.89Å; I354-F361 HydrophobicContact CG1-CD1 3.79Å; I354-F361 HydrophobicContact CG1-CE1 4.14Å; I354-F389 HydrophobicContact CD1-CD1 3.75Å; I354-F389 HydrophobicContact CD1-CE1 3.95Å; I354-V392 HydrophobicContact CD1-CG1 4.36Å; I354-V392 HydrophobicContact CD1-CG2 3.88Å; I354-V392 HydrophobicContact CG1-CG1 4.03Å; I354-V392 HydrophobicContact CG1-CG2 3.97Å; I354-V392 HydrophobicContact CG2-CG1 4.27Å
355	K	95.3	Very high	96.6	Very high	187 Å²	187	46.6 Å²	46.6	81%	0.813	24%	0.237	S	C	*	.	H	α-helix	trans	-63.9	-33.1	178.6	-72.6	-179.6	-178.5	-171.2	0	112.9	R351 K352 L353	R351-K355 WeakPolarHBondContact O-CG 3.48Å; R351-K355 PolarHBondContact O-N 2.92Å; K352-K355 PolarHBondContact O-N 3.09Å; L353-K355 VanDerWaalsContact C-N 3.35Å; L353-K355 PolarHBondContact O-N 2.8Å
356	A	95	Very high	96.5	Very high	85 Å²	85	48.4 Å²	48.4	70%	0.702	25%	0.245	S	C	*	.	H	α-helix	trans	-79.1	-44.9	-180	0	0	0	0	0	112.2	K352 L353 I354	K352-A356 WeakPolarHBondContact O-CB 3.34Å; K352-A356 PolarHBondContact O-N 3.19Å; L353-A356 PolarHBondContact O-N 2.94Å; I354-A356 VanDerWaalsContact C-N 3.28Å; I354-A356 PolarHBondContact O-N 2.81Å
357	S	93.3	Very high	96.3	Very high	36 Å²	36	53.5 Å²	53.5	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-162.3	93.2	178.2	-170	0	0	0	0	111.2	L353 S360 F361	L353-S357 CarbonylContact O-C 3.58Å; L353-S357 PolarHBondContact O-N 2.84Å; S357-S360 VanDerWaalsContact OG-CB 3.28Å; S357-S360 WeakPolarHBondContact OG-CB 3.35Å; S357-S360 PolarHBondContact OG-N 2.99Å; S357-S360 PolarHBondContact OG-OG 2.87Å; S357-F361 PolarHBondContact O-N 3.31Å
358	A	95.2	Very high	96.3	Very high	9 Å²	9	53.3 Å²	53.3	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-41.9	176.3	0	0	0	0	0	112.1	I354 S360 F361 I362 V392 P439	I354-A358 HydrophobicContact CG2-CB 4.32Å; I354-A358 PolarHBondContact O-N 2.89Å; A358-S360 PolarHBondContact O-N 2.92Å; A358-F361 WeakPolarHBondContact O-CB 3.03Å; A358-F361 PolarHBondContact O-N 3.29Å; A358-F361 VanDerWaalsContact O-N 3.09Å; A358-I362 WeakPolarHBondContact O-CG1 3.36Å; A358-I362 PolarHBondContact O-N 3.32Å; A358-V392 HydrophobicContact CB-CG1 4.1Å; A358-P439 HydrophobicContact CB-CG 4.5Å
359	S	93.9	Very high	96.3	Very high	31 Å²	31	49.2 Å²	49.2	22%	0.217	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-43.7	178.2	54.2	0	0	0	0	113	F361 I362 Q363	S359-F361 VanDerWaalsContact C-N 3.26Å; S359-F361 PolarHBondContact O-N 3.49Å; S359-I362 PolarHBondContact O-N 3.18Å; S359-Q363 WeakPolarHBondContact O-CG 3.48Å; S359-Q363 PolarHBondContact O-N 2.84Å
360	S	95.6	Very high	96.3	Very high	38 Å²	38	45.2 Å²	45.2	27%	0.266	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-33.9	174.6	-59.8	0	0	0	0	112.1	F330 S357 A358 H364	F330-S360 VanDerWaalsContact CD2-CB 3.49Å; S357-S360 VanDerWaalsContact OG-CB 3.28Å; S357-S360 WeakPolarHBondContact OG-CB 3.35Å; S357-S360 PolarHBondContact OG-N 2.99Å; S357-S360 PolarHBondContact OG-OG 2.87Å; A358-S360 PolarHBondContact O-N 2.92Å; S360-H364 WeakPolarHBondContact O-CB 3.36Å; S360-H364 PolarHBondContact O-N 2.71Å
361	F	97.4	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-70.3	-39.8	176.7	-153.1	167.4	0	0	0	111.3	F330 M345 A350 L353 I354 S357 A358 S359 H364 N365 I372 V392	F330-F361 HydrophobicContact CE1-CB 3.94Å; F330-F361 AromaticContact CE1-CD2 3.56Å; F330-F361 HydrophobicContact CE1-CD2 3.56Å; F330-F361 HydrophobicContact CE1-CE2 4.18Å; F330-F361 AromaticContact CE1-CG 3.77Å; F330-F361 HydrophobicContact CE1-CG 3.77Å; F330-F361 HydrophobicContact CE2-CB 4.21Å; F330-F361 HydrophobicContact CZ-CB 3.49Å; F330-F361 VanDerWaalsContact CZ-CB 3.49Å; F330-F361 AromaticContact CZ-CD1 3.92Å; F330-F361 HydrophobicContact CZ-CD1 3.92Å; F330-F361 AromaticContact CZ-CD2 3.78Å; F330-F361 HydrophobicContact CZ-CD2 3.78Å; F330-F361 HydrophobicContact CZ-CE2 4.47Å; F330-F361 AromaticContact CZ-CG 3.47Å; F330-F361 HydrophobicContact CZ-CG 3.47Å; F330-F361 VanDerWaalsContact CZ-CG 3.47Å; M345-F361 HydrophobicContact CE-CZ 4.46Å; A350-F361 HydrophobicContact CB-CE1 4.3Å; L353-F361 HydrophobicContact CB-CD1 4.13Å; L353-F361 HydrophobicContact CB-CE1 4.2Å; I354-F361 HydrophobicContact CG1-CD1 3.79Å; I354-F361 HydrophobicContact CG1-CE1 4.14Å; S357-F361 PolarHBondContact O-N 3.31Å; A358-F361 WeakPolarHBondContact O-CB 3.03Å; A358-F361 PolarHBondContact O-N 3.29Å; A358-F361 VanDerWaalsContact O-N 3.09Å; S359-F361 VanDerWaalsContact C-N 3.26Å; S359-F361 PolarHBondContact O-N 3.49Å; F361-H364 HydrophobicContact CD2-CB 4.49Å; F361-H364 WeakPolarHBondContact O-CB 3.38Å; F361-H364 PolarHBondContact O-N 3.37Å; F361-N365 VanDerWaalsContact CD2-ND2 3.29Å; F361-N365 WeakPolarHBondContact CD2-ND2 3.29Å; F361-N365 WeakPolarHBondContact CE2-ND2 3.19Å; F361-N365 WeakPolarHBondContact O-CB 3.26Å; F361-N365 VanDerWaalsContact O-CG 3.27Å; F361-N365 PolarHBondContact O-N 2.85Å; F361-N365 PolarHBondContact O-ND2 3Å; F361-I372 HydrophobicContact CZ-CD1 4.23Å; F361-V392 HydrophobicContact CB-CB 4.47Å; F361-V392 HydrophobicContact CD1-CG2 4.06Å; F361-V392 HydrophobicContact CE1-CG2 4.42Å; F361-V392 HydrophobicContact CG-CG2 4.32Å
362	I	97	Very high	96.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-49.4	173	-69.1	160.5	0	0	0	110.2	A358 S359 H364 N365 Q366 V392 L430 F437 P439	A358-I362 WeakPolarHBondContact O-CG1 3.36Å; A358-I362 PolarHBondContact O-N 3.32Å; S359-I362 PolarHBondContact O-N 3.18Å; I362-H364 VanDerWaalsContact C-N 3.29Å; I362-H364 PolarHBondContact O-N 2.8Å; I362-N365 CarbonylContact O-C 3.43Å; I362-N365 PolarHBondContact O-N 3.43Å; I362-Q366 WeakPolarHBondContact O-CG 3.5Å; I362-Q366 PolarHBondContact O-N 3.15Å; I362-V392 HydrophobicContact CG1-CB 3.98Å; I362-V392 HydrophobicContact CG1-CG1 4.34Å; I362-L430 HydrophobicContact CD1-CD2 4.07Å; I362-L430 HydrophobicContact CG1-CD2 3.93Å; I362-L430 HydrophobicContact CG2-CD2 4.06Å; I362-F437 HydrophobicContact CD1-CD1 3.76Å; I362-F437 HydrophobicContact CD1-CE1 4.43Å; I362-F437 WeakPolarHBondContact CD1-O 3.26Å; I362-P439 HydrophobicContact CD1-CG 4.01Å
363	Q	95.7	Very high	96.4	Very high	94 Å²	94	38.1 Å²	38.1	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-59.8	-38	176.9	-70.1	174.9	-1	0	0	112.6	S359 Q366	S359-Q363 WeakPolarHBondContact O-CG 3.48Å; S359-Q363 PolarHBondContact O-N 2.84Å; Q363-Q366 PolarHBondContact O-N 3.08Å
364	H	96.8	Very high	96.5	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-45.9	172.6	179.3	82.3	0	0	0	111.4	F330 S333 S360 F361 I362 Q366 R367 F368 S370	F330-H364 HydrophobicContact CD1-CB 3.68Å; F330-H364 AromaticContact CD1-CG 3.93Å; F330-H364 HydrophobicContact CE1-CB 3.96Å; S333-H364 WeakPolarHBondContact CB-ND1 3.34Å; S360-H364 WeakPolarHBondContact O-CB 3.36Å; S360-H364 PolarHBondContact O-N 2.71Å; F361-H364 HydrophobicContact CD2-CB 4.49Å; F361-H364 WeakPolarHBondContact O-CB 3.38Å; F361-H364 PolarHBondContact O-N 3.37Å; I362-H364 VanDerWaalsContact C-N 3.29Å; I362-H364 PolarHBondContact O-N 2.8Å; H364-Q366 PolarHBondContact O-N 2.95Å; H364-R367 PolarHBondContact O-N 3.49Å; H364-R367 VanDerWaalsContact O-N 3.13Å; H364-F368 AromaticContact CE1-CD2 3.54Å; H364-F368 AromaticContact ND1-CD2 3.42Å; H364-F368 WeakPolarHBondContact ND1-CD2 3.42Å; H364-F368 WeakPolarHBondContact O-CD2 3.1Å; H364-F368 PolarHBondContact O-N 3.4Å; H364-S370 PolarHBondContact CD2-OG 2.6Å; H364-S370 PolarHBondContact NE2-OG 3.1Å
365	N	97.4	Very high	96.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-74.6	-9.2	-178.2	-68.1	-27.1	0	0	0	114.4	F361 I362 S370 V392 G393 A394 Q395 K426	F361-N365 VanDerWaalsContact CD2-ND2 3.29Å; F361-N365 WeakPolarHBondContact CD2-ND2 3.29Å; F361-N365 WeakPolarHBondContact CE2-ND2 3.19Å; F361-N365 WeakPolarHBondContact O-CB 3.26Å; F361-N365 VanDerWaalsContact O-CG 3.27Å; F361-N365 PolarHBondContact O-N 2.85Å; F361-N365 PolarHBondContact O-ND2 3Å; I362-N365 CarbonylContact O-C 3.43Å; I362-N365 PolarHBondContact O-N 3.43Å; N365-S370 WeakPolarHBondContact OD1-CB 3.29Å; N365-S370 PolarHBondContact OD1-OG 3.06Å; N365-V392 PolarHBondContact ND2-O 2.93Å; N365-G393 WeakPolarHBondContact CB-O 3.46Å; N365-A394 PolarHBondContact ND2-N 2.94Å; N365-Q395 PolarHBondContact O-NE2 2.89Å; N365-K426 PolarHBondContact O-NZ 3.36Å
366	Q	95.8	Very high	95.9	Very high	41 Å²	41	28.4 Å²	28.4	19%	0.192	17%	0.166	C	C	.	.	H	α-helix	trans	-73.3	-32.4	168.2	-75.3	167.3	-8.2	0	0	111.4	T106 I362 Q363 H364 L430 M431 P432	T106-Q366 PolarHBondContact OG1-O 3.13Å; I362-Q366 WeakPolarHBondContact O-CG 3.5Å; I362-Q366 PolarHBondContact O-N 3.15Å; Q363-Q366 PolarHBondContact O-N 3.08Å; H364-Q366 PolarHBondContact O-N 2.95Å; Q366-L430 VanDerWaalsContact CG-O 3.24Å; Q366-L430 WeakPolarHBondContact CG-O 3.44Å; Q366-L430 PolarHBondContact NE2-O 3.46Å; Q366-M431 VanDerWaalsContact NE2-C 3.32Å; Q366-M431 PolarHBondContact NE2-O 3.32Å; Q366-P432 HydrophobicContact CB-CG 4.16Å; Q366-P432 HydrophobicContact CG-CG 4.31Å
367	R	93.8	Very high	95.7	Very high	115 Å²	115	28 Å²	28	43%	0.434	16%	0.157	S	C	.	.	H	α-helix	trans	-105.6	-27.3	-173.5	-64.5	179.1	64.9	-160.5	-4.6	114.1	R334 H364	R334-R367 PolarHBondContact O-NH1 3.09Å; R334-R367 VanDerWaalsContact O-NH1 3.09Å; H364-R367 PolarHBondContact O-N 3.49Å; H364-R367 VanDerWaalsContact O-N 3.13Å
368	F	96.6	Very high	95.8	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	16%	0.155	C	C	.	.	S	Bend	trans	-130.2	148.9	-173.3	-49.3	-69.7	0	0	0	112	S333 Q337 N338 H364 Q395	S333-F368 WeakPolarHBondContact O-CZ 3.44Å; Q337-F368 HydrophobicContact CB-CD1 4.48Å; Q337-F368 HydrophobicContact CB-CE1 3.85Å; Q337-F368 HydrophobicContact CB-CE2 4.48Å; Q337-F368 HydrophobicContact CB-CZ 3.83Å; Q337-F368 HydrophobicContact CG-CD1 3.9Å; Q337-F368 HydrophobicContact CG-CE1 3.71Å; Q337-F368 HydrophobicContact CG-CZ 4.15Å; Q337-F368 WeakPolarHBondContact O-CE1 3.35Å; Q337-F368 WeakPolarHBondContact O-CZ 3.15Å; N338-F368 WeakPolarHBondContact O-CD1 3.23Å; N338-F368 WeakPolarHBondContact O-CE1 3.14Å; H364-F368 AromaticContact CE1-CD2 3.54Å; H364-F368 AromaticContact ND1-CD2 3.42Å; H364-F368 WeakPolarHBondContact ND1-CD2 3.42Å; H364-F368 WeakPolarHBondContact O-CD2 3.1Å; H364-F368 PolarHBondContact O-N 3.4Å; F368-Q395 PolarHBondContact O-NE2 2.95Å
369	L	98	Very high	95.6	Very high	3 Å²	3	31 Å²	31	2%	0.016	17%	0.167	C	C	.	.			trans	-76.5	125.7	169.4	-69	174.9	0	0	0	110.2	L105 T106 I110 L229 T322 N342 T343 Q395 L396	L105-L369 HydrophobicContact CB-CD2 4.5Å; T106-L369 HydrophobicContact CG2-CD2 4.23Å; T106-L369 HydrophobicContact CG2-CG 4.23Å; I110-L369 HydrophobicContact CD1-CD2 4.21Å; L229-L369 HydrophobicContact CD1-CD1 3.79Å; L229-L369 HydrophobicContact CD1-CD2 4.47Å; L229-L369 HydrophobicContact CD1-CG 3.74Å; T322-L369 HydrophobicContact CG2-CD1 4.46Å; N342-L369 WeakPolarHBondContact CA-O 3.45Å; N342-L369 HydrophobicContact CB-CB 4Å; N342-L369 VanDerWaalsContact CB-O 3.32Å; N342-L369 WeakPolarHBondContact CB-O 3.49Å; T343-L369 PolarHBondContact N-O 2.88Å; T343-L369 VanDerWaalsContact N-O 3.17Å; L369-Q395 HydrophobicContact CD2-CB 3.85Å; L369-Q395 HydrophobicContact CD2-CG 3.76Å; L369-L396 HydrophobicContact CB-CD1 4.32Å
370	S	98.5	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.6	173	-69.7	0	0	0	0	111.2	H364 N365 L396	H364-S370 PolarHBondContact CD2-OG 2.6Å; H364-S370 PolarHBondContact NE2-OG 3.1Å; N365-S370 WeakPolarHBondContact OD1-CB 3.29Å; N365-S370 PolarHBondContact OD1-OG 3.06Å; S370-L396 PolarHBondContact O-N 2.7Å; S370-L396 VanDerWaalsContact O-N 3.15Å
371	R	98.8	Very high	95.6	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.1	170.9	-175.2	-178.8	-176	-106.8	-3.7	111.2	E144 T343 S344 M345 L396	E144-R371 IonicContact OE1-CZ 3.52Å; E144-R371 IonicContact OE1-NH1 3.53Å; E144-R371 PolarHBondContact OE1-NH1 2.87Å; E144-R371 IonicContact OE1-NH2 3.06Å; E144-R371 PolarHBondContact OE1-NH2 2.9Å; E144-R371 IonicContact OE2-CZ 3.72Å; E144-R371 IonicContact OE2-NH1 2.75Å; E144-R371 IonicContact OE2-NH2 3.3Å; E144-R371 PolarHBondContact OE2-NH2 2.93Å; T343-R371 PolarHBondContact O-N 3.01Å; S344-R371 CarbonylContact C-O 3.54Å; S344-R371 VanDerWaalsContact CA-O 3.3Å; S344-R371 WeakPolarHBondContact CA-O 3.48Å; M345-R371 PolarHBondContact N-O 3.36Å; R371-L396 CarbonylContact C-O 3.44Å; R371-L396 VanDerWaalsContact CA-O 3.27Å; R371-L396 WeakPolarHBondContact CA-O 3.49Å; R371-L396 HydrophobicContact CB-CB 3.89Å; R371-L396 HydrophobicContact CB-CD1 4.24Å; R371-L396 HydrophobicContact CG-CB 4.07Å
372	I	98.8	Very high	95.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.6	172.8	-48.6	-51.7	0	0	0	108.6	M345 E347 A350 F361 Y384 F389 A394 L396 A398	M345-I372 HydrophobicContact CB-CD1 4.34Å; M345-I372 WeakPolarHBondContact O-CA 3.49Å; E347-I372 HydrophobicContact CB-CG2 4.45Å; A350-I372 HydrophobicContact CB-CD1 3.73Å; A350-I372 HydrophobicContact CB-CG1 4.44Å; A350-I372 HydrophobicContact CB-CG2 4.12Å; F361-I372 HydrophobicContact CZ-CD1 4.23Å; I372-Y384 PolarHBondContact O-OH 2.79Å; I372-Y384 VanDerWaalsContact O-OH 3.08Å; I372-F389 HydrophobicContact CB-CG 4.36Å; I372-F389 HydrophobicContact CG1-CB 4.26Å; I372-F389 HydrophobicContact CG1-CD1 4.11Å; I372-F389 HydrophobicContact CG1-CG 4.11Å; I372-F389 HydrophobicContact CG2-CD1 4.01Å; I372-F389 HydrophobicContact CG2-CD2 3.93Å; I372-F389 HydrophobicContact CG2-CE1 3.96Å; I372-F389 HydrophobicContact CG2-CE2 3.83Å; I372-F389 HydrophobicContact CG2-CG 4.01Å; I372-F389 HydrophobicContact CG2-CZ 3.85Å; I372-A394 HydrophobicContact CG1-CB 4Å; I372-L396 PolarHBondContact N-O 3.03Å; I372-A398 WeakPolarHBondContact O-CA 3.27Å; I372-A398 WeakPolarHBondContact O-CB 3.48Å; I372-A398 PolarHBondContact O-N 2.8Å
373	Y	98.5	Very high	95.6	Very high	70 Å²	70	34.5 Å²	34.5	28%	0.275	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	156.6	-179	64.2	-88.4	0	0	0	112.6	M345 A346 E347	M345-Y373 WeakPolarHBondContact O-CD1 3.29Å; M345-Y373 PolarHBondContact O-N 3.48Å; A346-Y373 HydrophobicContact CB-CE1 4.44Å; A346-Y373 HydrophobicContact CB-CE2 3.89Å; A346-Y373 VanDerWaalsContact N-CE1 3.28Å; E347-Y373 PolarHBondContact N-O 2.89Å
374	P	97.8	Very high	95.7	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.026	17%	0.17	C	C	.	.			trans	-60.2	145.9	-178.5	-20.3	32.7	0	0	0	111.9	H114 Y384	H114-P374 HydrophobicContact CB-CG 4.23Å; H114-P374 VanDerWaalsContact CG-CD 3.43Å; P374-Y384 HydrophobicContact CB-CD1 4.15Å; P374-Y384 HydrophobicContact CB-CE1 4.22Å; P374-Y384 HydrophobicContact CG-CD1 4.09Å; P374-Y384 HydrophobicContact CG-CE1 3.77Å
375	A	92.6	Very high	95.8	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	18%	0.184	C	C	.	.			trans	-66.7	145.5	175.5	0	0	0	0	0	111.4	E347 K348 S377 R378	E347-A375 HydrophobicContact CG-CB 4.08Å; E347-A375 VanDerWaalsContact OE1-CB 3.29Å; E347-A375 WeakPolarHBondContact OE1-CB 3.41Å; E347-A375 PolarHBondContact OE1-N 3.04Å; E347-A375 VanDerWaalsContact OE1-N 3.07Å; K348-A375 HydrophobicContact CD-CB 4.22Å; K348-A375 HydrophobicContact CG-CB 4.3Å; A375-S377 PolarHBondContact O-N 2.75Å; A375-R378 WeakPolarHBondContact O-CB 3.41Å; A375-R378 PolarHBondContact O-N 2.79Å
376	G	88.4	Confident	95.9	Very high	45 Å²	45	32.7 Å²	32.7	46%	0.464	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.4	178.6	0	0	0	0	0	114.7	R378	G376-R378 PolarHBondContact O-N 3.13Å
377	S	90.6	Very high	96	Very high	76 Å²	76	30.8 Å²	30.8	53%	0.531	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.2	171.1	51.4	0	0	0	0	114.2	K348 A375 T379	K348-S377 PolarHBondContact NZ-OG 3.37Å; A375-S377 PolarHBondContact O-N 2.75Å; S377-T379 PolarHBondContact O-N 3.49Å; S377-T379 VanDerWaalsContact O-N 3.12Å
378	R	94	Very high	96.1	Very high	55 Å²	55	27.2 Å²	27.2	21%	0.208	16%	0.163	C	C	.	.			trans	-87.1	56.9	178.3	-64.8	179.1	175.2	-89.9	8.5	111.1	E347 A375 G376 S380 S381 S382 N383	E347-R378 WeakPolarHBondContact OE1-CD 3.27Å; E347-R378 IonicContact OE1-CZ 3.97Å; E347-R378 IonicContact OE1-NE 3.59Å; E347-R378 PolarHBondContact OE1-NE 3.16Å; E347-R378 IonicContact OE1-NH2 3.59Å; E347-R378 PolarHBondContact OE1-NH2 3.46Å; E347-R378 IonicContact OE2-CZ 2.66Å; E347-R378 IonicContact OE2-NE 2.83Å; E347-R378 IonicContact OE2-NH2 3.26Å; E347-R378 PolarHBondContact OE2-NH2 2.65Å; A375-R378 WeakPolarHBondContact O-CB 3.41Å; A375-R378 PolarHBondContact O-N 2.79Å; G376-R378 PolarHBondContact O-N 3.13Å; R378-S380 PolarHBondContact O-N 3.02Å; R378-S381 PolarHBondContact O-N 3.36Å; R378-S382 WeakPolarHBondContact CD-O 3.38Å; R378-S382 WeakPolarHBondContact CG-OG 3.35Å; R378-S382 PolarHBondContact NH1-OG 3.23Å; R378-N383 PolarHBondContact NH1-O 2.63Å
379	T	91.8	Very high	96.2	Very high	53 Å²	53	27.1 Å²	27.1	33%	0.325	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.1	-175.8	53.7	0	0	0	0	113.2	D121 Q122 L123 S377 S381	D121-T379 WeakPolarHBondContact CB-O 3.03Å; Q122-T379 WeakPolarHBondContact CB-O 3.48Å; Q122-T379 PolarHBondContact N-O 2.65Å; L123-T379 HydrophobicContact CD1-CG2 3.99Å; L123-T379 HydrophobicContact CD2-CG2 4.15Å; L123-T379 HydrophobicContact CG-CG2 4.1Å; S377-T379 PolarHBondContact O-N 3.49Å; S377-T379 VanDerWaalsContact O-N 3.12Å; T379-S381 PolarHBondContact O-N 3.43Å
380	S	92.6	Very high	96.3	Very high	82 Å²	82	27 Å²	27	57%	0.573	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	11	173.2	61.5	0	0	0	0	114.7	R378 S382	R378-S380 PolarHBondContact O-N 3.02Å; S380-S382 PolarHBondContact O-N 3Å; S380-S382 VanDerWaalsContact O-N 3.14Å
381	S	95.8	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.			trans	61.2	16.4	-174.8	-57.2	0	0	0	0	114.7	G120 D121 Q122 R378 T379 N400 Q402 S403	G120-S381 WeakPolarHBondContact O-CB 3.17Å; G120-S381 PolarHBondContact O-OG 2.88Å; D121-S381 WeakPolarHBondContact CA-OG 3.15Å; Q122-S381 PolarHBondContact NE2-OG 2.99Å; R378-S381 PolarHBondContact O-N 3.36Å; T379-S381 PolarHBondContact O-N 3.43Å; S381-N400 VanDerWaalsContact C-ND2 3.33Å; S381-N400 VanDerWaalsContact O-CB 3.23Å; S381-N400 WeakPolarHBondContact O-CB 3.39Å; S381-N400 PolarHBondContact O-ND2 3.11Å; S381-Q402 PolarHBondContact OG-NE2 2.98Å; S381-S403 VanDerWaalsContact CB-OG 3.3Å; S381-S403 WeakPolarHBondContact CB-OG 3.33Å; S381-S403 WeakPolarHBondContact O-CB 3.28Å; S381-S403 PolarHBondContact O-OG 2.84Å
382	S	97.3	Very high	96.2	Very high	41 Å²	41	27.5 Å²	27.5	29%	0.287	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-54.1	152	174	69.9	0	0	0	0	112.3	R378 S380 N400	R378-S382 WeakPolarHBondContact CD-O 3.38Å; R378-S382 WeakPolarHBondContact CG-OG 3.35Å; R378-S382 PolarHBondContact NH1-OG 3.23Å; S380-S382 PolarHBondContact O-N 3Å; S380-S382 VanDerWaalsContact O-N 3.14Å; S382-N400 PolarHBondContact O-ND2 3.48Å
383	N	98.4	Very high	96.2	Very high	24 Å²	24	27.6 Å²	27.6	13%	0.128	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-103.9	156.4	178.9	-79.4	-50.2	0	0	0	112.3	R378 L399 N400 S403 S407	R378-N383 PolarHBondContact NH1-O 2.63Å; N383-L399 HydrophobicContact CB-CD2 4.16Å; N383-L399 WeakPolarHBondContact OD1-CA 3.37Å; N383-L399 WeakPolarHBondContact OD1-CB 3.47Å; N383-N400 PolarHBondContact ND2-O 2.96Å; N383-N400 PolarHBondContact OD1-N 3.34Å; N383-S403 PolarHBondContact ND2-O 2.78Å; N383-S407 WeakPolarHBondContact CB-OG 3.39Å
384	Y	98.3	Very high	96.2	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.012	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-90.3	171.6	168.1	58.1	-100.2	0	0	0	110.9	E347 I372 P374 P386 F389 V397 A398 L399 S407	E347-Y384 HydrophobicContact CB-CD1 4.17Å; E347-Y384 HydrophobicContact CB-CG 4.41Å; E347-Y384 WeakPolarHBondContact OE2-CB 3.47Å; I372-Y384 PolarHBondContact O-OH 2.79Å; I372-Y384 VanDerWaalsContact O-OH 3.08Å; P374-Y384 HydrophobicContact CB-CD1 4.15Å; P374-Y384 HydrophobicContact CB-CE1 4.22Å; P374-Y384 HydrophobicContact CG-CD1 4.09Å; P374-Y384 HydrophobicContact CG-CE1 3.77Å; Y384-P386 WeakPolarHBondContact O-CD 3.42Å; Y384-F389 AromaticContact CD2-CD2 3.73Å; Y384-F389 HydrophobicContact CD2-CD2 3.73Å; Y384-F389 AromaticContact CD2-CE2 3.35Å; Y384-F389 HydrophobicContact CD2-CE2 3.35Å; Y384-F389 AromaticContact CE2-CD2 3.4Å; Y384-F389 HydrophobicContact CE2-CD2 3.4Å; Y384-F389 AromaticContact CE2-CE2 3.4Å; Y384-F389 HydrophobicContact CE2-CE2 3.4Å; Y384-F389 HydrophobicContact CG-CE2 4.1Å; Y384-V397 HydrophobicContact CE2-CG1 3.56Å; Y384-V397 VanDerWaalsContact OH-CG1 3.3Å; Y384-V397 WeakPolarHBondContact OH-CG1 3.33Å; Y384-A398 VanDerWaalsContact CE1-O 3.32Å; Y384-A398 WeakPolarHBondContact CE1-O 3.33Å; Y384-A398 VanDerWaalsContact CZ-O 3.27Å; Y384-A398 PolarHBondContact OH-N 2.96Å; Y384-A398 PolarHBondContact OH-O 3.11Å; Y384-L399 HydrophobicContact CD1-CD2 4.41Å; Y384-L399 HydrophobicContact CD2-CD2 4.17Å; Y384-L399 HydrophobicContact CE1-CD2 4.04Å; Y384-L399 HydrophobicContact CE2-CD2 3.8Å; Y384-L399 HydrophobicContact CG-CD2 4.47Å; Y384-S407 WeakPolarHBondContact O-CB 3.36Å; Y384-S407 PolarHBondContact O-OG 3.05Å
385	N	98.2	Very high	96.2	Very high	61 Å²	61	24 Å²	24	33%	0.326	15%	0.152	S	C	.	.			trans	-77.9	109.9	175.2	-178.3	-4.9	0	0	0	109.8	Q387 E388 L410	N385-Q387 PolarHBondContact O-N 3.19Å; N385-Q387 WeakPolarHBondContact OD1-CB 3.5Å; N385-Q387 PolarHBondContact OD1-N 3.28Å; N385-E388 VanDerWaalsContact O-CG 3.29Å; N385-E388 WeakPolarHBondContact O-CG 3.35Å; N385-E388 PolarHBondContact O-N 2.89Å; N385-L410 WeakPolarHBondContact OD1-CD1 3.16Å
386	P	98.6	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.1	-176.5	28.9	-37.3	0	0	0	113.5	Y384 E388 F389 W390 V397 L399 L410	Y384-P386 WeakPolarHBondContact O-CD 3.42Å; P386-E388 PolarHBondContact O-N 3.21Å; P386-E388 VanDerWaalsContact O-N 3.16Å; P386-F389 PolarHBondContact O-N 3.48Å; P386-W390 HydrophobicContact CB-CD2 4.22Å; P386-W390 HydrophobicContact CB-CE3 4.15Å; P386-W390 HydrophobicContact CB-CH2 3.55Å; P386-W390 HydrophobicContact CB-CZ2 3.64Å; P386-W390 HydrophobicContact CB-CZ3 3.83Å; P386-W390 HydrophobicContact CG-CE3 4.35Å; P386-W390 HydrophobicContact CG-CH2 3.48Å; P386-W390 VanDerWaalsContact CG-CH2 3.48Å; P386-W390 HydrophobicContact CG-CZ2 4.1Å; P386-W390 HydrophobicContact CG-CZ3 3.64Å; P386-W390 PolarHBondContact O-N 2.83Å; P386-W390 VanDerWaalsContact O-N 3.15Å; P386-V397 HydrophobicContact CB-CG1 3.71Å; P386-L399 HydrophobicContact CB-CD1 4.19Å; P386-L399 HydrophobicContact CB-CD2 4.46Å; P386-L399 HydrophobicContact CG-CD1 4.15Å; P386-L410 HydrophobicContact CG-CB 4.08Å; P386-L410 HydrophobicContact CG-CD1 4.39Å
387	Q	98.3	Very high	97	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-31.5	-176.9	-172.6	63.8	46.1	0	0	112.5	N385 F389 W390 N391 L410 H479 L515	N385-Q387 PolarHBondContact O-N 3.19Å; N385-Q387 WeakPolarHBondContact OD1-CB 3.5Å; N385-Q387 PolarHBondContact OD1-N 3.28Å; Q387-F389 PolarHBondContact O-N 2.78Å; Q387-W390 HydrophobicContact CB-CE3 4.3Å; Q387-W390 PolarHBondContact O-N 2.93Å; Q387-N391 PolarHBondContact NE2-OD1 3.46Å; Q387-N391 WeakPolarHBondContact O-CB 3.33Å; Q387-N391 PolarHBondContact O-N 2.89Å; Q387-N391 PolarHBondContact O-ND2 3.47Å; Q387-N391 VanDerWaalsContact O-ND2 3.14Å; Q387-N391 PolarHBondContact O-OD1 3.21Å; Q387-L410 HydrophobicContact CB-CD1 4.49Å; Q387-H479 HydrophobicContact CG-CB 4.38Å; Q387-L515 PolarHBondContact NE2-O 3.31Å
388	E	97.2	Very high	97.4	Very high	40 Å²	40	18.3 Å²	18.3	19%	0.187	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-29.5	179.1	79	-168.3	141	0	0	112.9	R351 N385 P386	R351-E388 IonicContact CZ-OE1 3.42Å; R351-E388 IonicContact CZ-OE2 3.71Å; R351-E388 IonicContact NE-OE1 2.66Å; R351-E388 PolarHBondContact NE-OE1 3.23Å; R351-E388 IonicContact NE-OE2 3.03Å; R351-E388 PolarHBondContact NE-OE2 2.93Å; R351-E388 VanDerWaalsContact NH1-CD 3.26Å; R351-E388 IonicContact NH1-OE1 3.57Å; R351-E388 PolarHBondContact NH1-OE1 3.17Å; R351-E388 IonicContact NH1-OE2 3.76Å; R351-E388 PolarHBondContact NH1-OE2 3.35Å; R351-E388 IonicContact NH2-OE1 2.92Å; R351-E388 PolarHBondContact NH2-OE1 3.29Å; R351-E388 IonicContact NH2-OE2 3.95Å; N385-E388 VanDerWaalsContact O-CG 3.29Å; N385-E388 WeakPolarHBondContact O-CG 3.35Å; N385-E388 PolarHBondContact O-N 2.89Å; P386-E388 PolarHBondContact O-N 3.21Å; P386-E388 VanDerWaalsContact O-N 3.16Å
389	F	98.7	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-93	-32.8	-179.8	-56.6	-64.1	0	0	0	111.9	E347 A350 R351 I354 I372 Y384 P386 Q387 N391 V392 G393 A394 V397	E347-F389 HydrophobicContact CB-CE2 4.24Å; E347-F389 HydrophobicContact CB-CZ 3.88Å; A350-F389 HydrophobicContact CB-CD1 3.94Å; A350-F389 HydrophobicContact CB-CE1 3.41Å; A350-F389 VanDerWaalsContact CB-CE1 3.41Å; A350-F389 HydrophobicContact CB-CZ 4.26Å; R351-F389 HydrophobicContact CG-CE1 4.12Å; R351-F389 HydrophobicContact CG-CZ 3.95Å; I354-F389 HydrophobicContact CD1-CD1 3.75Å; I354-F389 HydrophobicContact CD1-CE1 3.95Å; I372-F389 HydrophobicContact CB-CG 4.36Å; I372-F389 HydrophobicContact CG1-CB 4.26Å; I372-F389 HydrophobicContact CG1-CD1 4.11Å; I372-F389 HydrophobicContact CG1-CG 4.11Å; I372-F389 HydrophobicContact CG2-CD1 4.01Å; I372-F389 HydrophobicContact CG2-CD2 3.93Å; I372-F389 HydrophobicContact CG2-CE1 3.96Å; I372-F389 HydrophobicContact CG2-CE2 3.83Å; I372-F389 HydrophobicContact CG2-CG 4.01Å; I372-F389 HydrophobicContact CG2-CZ 3.85Å; Y384-F389 AromaticContact CD2-CD2 3.73Å; Y384-F389 HydrophobicContact CD2-CD2 3.73Å; Y384-F389 AromaticContact CD2-CE2 3.35Å; Y384-F389 HydrophobicContact CD2-CE2 3.35Å; Y384-F389 AromaticContact CE2-CD2 3.4Å; Y384-F389 HydrophobicContact CE2-CD2 3.4Å; Y384-F389 AromaticContact CE2-CE2 3.4Å; Y384-F389 HydrophobicContact CE2-CE2 3.4Å; Y384-F389 HydrophobicContact CG-CE2 4.1Å; P386-F389 PolarHBondContact O-N 3.48Å; Q387-F389 PolarHBondContact O-N 2.78Å; F389-N391 VanDerWaalsContact C-N 3.27Å; F389-N391 PolarHBondContact O-N 3.43Å; F389-V392 VanDerWaalsContact O-CG2 3.23Å; F389-V392 WeakPolarHBondContact O-CG2 3.5Å; F389-V392 PolarHBondContact O-N 3.42Å; F389-G393 PolarHBondContact O-N 3.41Å; F389-A394 HydrophobicContact CB-CB 4.04Å; F389-A394 WeakPolarHBondContact O-CB 3.05Å; F389-A394 PolarHBondContact O-N 3.24Å; F389-V397 HydrophobicContact CB-CG1 4.28Å; F389-V397 HydrophobicContact CB-CG2 3.83Å; F389-V397 HydrophobicContact CD2-CG1 4.24Å
390	W	98.7	Very high	97.9	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-63.1	-34.4	169.6	-63.9	-35.2	0	0	0	112.3	F109 P386 Q387 V392 G393 L410 R414 F415 L430 L517	F109-W390 HydrophobicContact CD1-CB 4.39Å; F109-W390 AromaticContact CD1-CD1 3.53Å; F109-W390 HydrophobicContact CD1-CG 4.17Å; F109-W390 HydrophobicContact CE1-CB 3.83Å; F109-W390 AromaticContact CE1-CD1 3.82Å; F109-W390 HydrophobicContact CE1-CG 4.11Å; F109-W390 HydrophobicContact CZ-CB 3.97Å; F109-W390 WeakPolarHBondContact CZ-O 3.36Å; P386-W390 HydrophobicContact CB-CD2 4.22Å; P386-W390 HydrophobicContact CB-CE3 4.15Å; P386-W390 HydrophobicContact CB-CH2 3.55Å; P386-W390 HydrophobicContact CB-CZ2 3.64Å; P386-W390 HydrophobicContact CB-CZ3 3.83Å; P386-W390 HydrophobicContact CG-CE3 4.35Å; P386-W390 HydrophobicContact CG-CH2 3.48Å; P386-W390 VanDerWaalsContact CG-CH2 3.48Å; P386-W390 HydrophobicContact CG-CZ2 4.1Å; P386-W390 HydrophobicContact CG-CZ3 3.64Å; P386-W390 PolarHBondContact O-N 2.83Å; P386-W390 VanDerWaalsContact O-N 3.15Å; Q387-W390 HydrophobicContact CB-CE3 4.3Å; Q387-W390 PolarHBondContact O-N 2.93Å; W390-V392 PolarHBondContact O-N 3.21Å; W390-G393 PolarHBondContact O-N 2.89Å; W390-L410 HydrophobicContact CZ3-CB 4.3Å; W390-R414 HydrophobicContact CH2-CB 4.16Å; W390-R414 HydrophobicContact CZ3-CB 4.35Å; W390-F415 AromaticContact CZ2-CE2 3.97Å; W390-F415 HydrophobicContact CZ2-CE2 3.97Å; W390-L430 VanDerWaalsContact O-CD1 3.32Å; W390-L430 WeakPolarHBondContact O-CD1 3.41Å; W390-L517 HydrophobicContact CZ3-CD1 3.9Å
391	N	98	Very high	98.2	Very high	17 Å²	17	10 Å²	10	9%	0.091	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.9	174.9	-71.9	-20.7	0	0	0	114.1	Q387 F389 P439 G480 I481	Q387-N391 PolarHBondContact NE2-OD1 3.46Å; Q387-N391 WeakPolarHBondContact O-CB 3.33Å; Q387-N391 PolarHBondContact O-N 2.89Å; Q387-N391 PolarHBondContact O-ND2 3.47Å; Q387-N391 VanDerWaalsContact O-ND2 3.14Å; Q387-N391 PolarHBondContact O-OD1 3.21Å; F389-N391 VanDerWaalsContact C-N 3.27Å; F389-N391 PolarHBondContact O-N 3.43Å; N391-P439 WeakPolarHBondContact O-CG 3.26Å; N391-G480 PolarHBondContact ND2-O 2.93Å; N391-G480 VanDerWaalsContact OD1-C 3.25Å; N391-G480 PolarHBondContact OD1-O 3.4Å; N391-I481 HydrophobicContact CB-CG2 4.34Å; N391-I481 PolarHBondContact OD1-N 2.84Å
392	V	97.8	Very high	98.2	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	13.9	175.4	-62.4	0	0	0	0	112.7	I354 A358 F361 I362 N365 F389 W390 A394 P439	I354-V392 HydrophobicContact CD1-CG1 4.36Å; I354-V392 HydrophobicContact CD1-CG2 3.88Å; I354-V392 HydrophobicContact CG1-CG1 4.03Å; I354-V392 HydrophobicContact CG1-CG2 3.97Å; I354-V392 HydrophobicContact CG2-CG1 4.27Å; A358-V392 HydrophobicContact CB-CG1 4.1Å; F361-V392 HydrophobicContact CB-CB 4.47Å; F361-V392 HydrophobicContact CD1-CG2 4.06Å; F361-V392 HydrophobicContact CE1-CG2 4.42Å; F361-V392 HydrophobicContact CG-CG2 4.32Å; I362-V392 HydrophobicContact CG1-CB 3.98Å; I362-V392 HydrophobicContact CG1-CG1 4.34Å; N365-V392 PolarHBondContact ND2-O 2.93Å; F389-V392 VanDerWaalsContact O-CG2 3.23Å; F389-V392 WeakPolarHBondContact O-CG2 3.5Å; F389-V392 PolarHBondContact O-N 3.42Å; W390-V392 PolarHBondContact O-N 3.21Å; V392-A394 PolarHBondContact O-N 3.45Å; V392-P439 HydrophobicContact CG1-CG 4.41Å
393	G	98	Very high	98.2	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.01	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	14.1	175.5	0	0	0	0	0	115.9	N365 F389 W390 Q395 K426	N365-G393 WeakPolarHBondContact CB-O 3.46Å; F389-G393 PolarHBondContact O-N 3.41Å; W390-G393 PolarHBondContact O-N 2.89Å; G393-Q395 PolarHBondContact O-N 2.93Å; G393-K426 WeakPolarHBondContact O-CE 3.36Å; G393-K426 PolarHBondContact O-NZ 3.5Å
394	A	98.6	Very high	98	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.072	C	C	.	.			trans	-63.3	129.5	174.2	0	0	0	0	0	110.2	F109 N365 I372 F389 V392 V397	F109-A394 WeakPolarHBondContact CD1-O 3.44Å; N365-A394 PolarHBondContact ND2-N 2.94Å; I372-A394 HydrophobicContact CG1-CB 4Å; F389-A394 HydrophobicContact CB-CB 4.04Å; F389-A394 WeakPolarHBondContact O-CB 3.05Å; F389-A394 PolarHBondContact O-N 3.24Å; V392-A394 PolarHBondContact O-N 3.45Å; A394-V397 HydrophobicContact CB-CG2 3.97Å; A394-V397 WeakPolarHBondContact O-CG2 3.47Å
395	Q	98.7	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-87.2	-47.8	-171.1	-56	90.2	-26.1	0	0	111.8	T106 Y108 I110 N365 F368 L369 G393 V397	T106-Q395 PolarHBondContact O-NE2 3.24Å; T106-Q395 VanDerWaalsContact O-NE2 3.11Å; Y108-Q395 VanDerWaalsContact O-CB 3.26Å; Y108-Q395 WeakPolarHBondContact O-CB 3.18Å; Y108-Q395 WeakPolarHBondContact O-CG 3.19Å; I110-Q395 HydrophobicContact CD1-CB 4.26Å; I110-Q395 HydrophobicContact CG1-CB 4.33Å; I110-Q395 PolarHBondContact N-O 3.25Å; I110-Q395 VanDerWaalsContact O-O 3.12Å; N365-Q395 PolarHBondContact O-NE2 2.89Å; F368-Q395 PolarHBondContact O-NE2 2.95Å; L369-Q395 HydrophobicContact CD2-CB 3.85Å; L369-Q395 HydrophobicContact CD2-CG 3.76Å; G393-Q395 PolarHBondContact O-N 2.93Å; Q395-V397 PolarHBondContact O-N 3.12Å
396	L	98.8	Very high	97.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	67.7	-171.8	-61.6	169.8	0	0	0	110	I110 T112 C142 I189 L369 S370 R371 I372 A398	I110-L396 HydrophobicContact CB-CD2 3.88Å; I110-L396 HydrophobicContact CD1-CD2 4.01Å; I110-L396 HydrophobicContact CG1-CD2 4.5Å; I110-L396 HydrophobicContact CG2-CD2 3.94Å; T112-L396 HydrophobicContact CG2-CB 4.31Å; T112-L396 WeakPolarHBondContact OG1-CA 3.23Å; T112-L396 WeakPolarHBondContact OG1-CD2 3.28Å; C142-L396 HydrophobicContact CB-CD2 3.76Å; I189-L396 HydrophobicContact CD1-CD2 4.24Å; L369-L396 HydrophobicContact CB-CD1 4.32Å; S370-L396 PolarHBondContact O-N 2.7Å; S370-L396 VanDerWaalsContact O-N 3.15Å; R371-L396 CarbonylContact C-O 3.44Å; R371-L396 VanDerWaalsContact CA-O 3.27Å; R371-L396 WeakPolarHBondContact CA-O 3.49Å; R371-L396 HydrophobicContact CB-CB 3.89Å; R371-L396 HydrophobicContact CB-CD1 4.24Å; R371-L396 HydrophobicContact CG-CB 4.07Å; I372-L396 PolarHBondContact N-O 3.03Å; L396-A398 PolarHBondContact O-N 3.28Å
397	V	98.9	Very high	97.9	Very high	2 Å²	2	15 Å²	15	1%	0.012	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	89.6	-178.7	-176.9	0	0	0	0	109.1	Y384 P386 F389 A394 Q395	Y384-V397 HydrophobicContact CE2-CG1 3.56Å; Y384-V397 VanDerWaalsContact OH-CG1 3.3Å; Y384-V397 WeakPolarHBondContact OH-CG1 3.33Å; P386-V397 HydrophobicContact CB-CG1 3.71Å; F389-V397 HydrophobicContact CB-CG1 4.28Å; F389-V397 HydrophobicContact CB-CG2 3.83Å; F389-V397 HydrophobicContact CD2-CG1 4.24Å; A394-V397 HydrophobicContact CB-CG2 3.97Å; A394-V397 WeakPolarHBondContact O-CG2 3.47Å; Q395-V397 PolarHBondContact O-N 3.12Å
398	A	98.8	Very high	97.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.8	-170.1	0	0	0	0	0	112.7	T112 H114 I372 Y384 L396	T112-A398 HydrophobicContact CG2-CB 3.56Å; T112-A398 WeakPolarHBondContact O-CA 3.47Å; H114-A398 HydrophobicContact CB-CB 3.92Å; I372-A398 WeakPolarHBondContact O-CA 3.27Å; I372-A398 WeakPolarHBondContact O-CB 3.48Å; I372-A398 PolarHBondContact O-N 2.8Å; Y384-A398 VanDerWaalsContact CE1-O 3.32Å; Y384-A398 WeakPolarHBondContact CE1-O 3.33Å; Y384-A398 VanDerWaalsContact CZ-O 3.27Å; Y384-A398 PolarHBondContact OH-N 2.96Å; Y384-A398 PolarHBondContact OH-O 3.11Å; L396-A398 PolarHBondContact O-N 3.28Å
399	L	98.8	Very high	98	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.7	178	-61.1	177.5	0	0	0	111.5	T112 S113 H114 N383 Y384 P386 F401 M408 N411	T112-L399 PolarHBondContact O-N 3.25Å; T112-L399 VanDerWaalsContact O-N 3.09Å; S113-L399 CarbonylContact C-O 3.32Å; S113-L399 WeakPolarHBondContact CA-O 3.31Å; H114-L399 PolarHBondContact N-O 2.92Å; N383-L399 HydrophobicContact CB-CD2 4.16Å; N383-L399 WeakPolarHBondContact OD1-CA 3.37Å; N383-L399 WeakPolarHBondContact OD1-CB 3.47Å; Y384-L399 HydrophobicContact CD1-CD2 4.41Å; Y384-L399 HydrophobicContact CD2-CD2 4.17Å; Y384-L399 HydrophobicContact CE1-CD2 4.04Å; Y384-L399 HydrophobicContact CE2-CD2 3.8Å; Y384-L399 HydrophobicContact CG-CD2 4.47Å; P386-L399 HydrophobicContact CB-CD1 4.19Å; P386-L399 HydrophobicContact CB-CD2 4.46Å; P386-L399 HydrophobicContact CG-CD1 4.15Å; L399-F401 WeakPolarHBondContact O-CD2 3.46Å; L399-F401 PolarHBondContact O-N 2.67Å; L399-M408 HydrophobicContact CB-SD 4Å; L399-M408 HydrophobicContact CD1-SD 4.05Å; L399-N411 HydrophobicContact CD1-CB 3.8Å
400	N	98.5	Very high	98	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	8%	0.08	C	C	.	.			trans	-76.1	97.9	169.4	-62.8	-49.2	0	0	0	108.9	H114 S381 S382 N383 Q402 S403	H114-N400 PolarHBondContact ND1-OD1 3.21Å; S381-N400 VanDerWaalsContact C-ND2 3.33Å; S381-N400 VanDerWaalsContact O-CB 3.23Å; S381-N400 WeakPolarHBondContact O-CB 3.39Å; S381-N400 PolarHBondContact O-ND2 3.11Å; S382-N400 PolarHBondContact O-ND2 3.48Å; N383-N400 PolarHBondContact ND2-O 2.96Å; N383-N400 PolarHBondContact OD1-N 3.34Å; N400-Q402 VanDerWaalsContact CA-OE1 3.31Å; N400-Q402 PolarHBondContact O-N 3.19Å; N400-S403 PolarHBondContact O-N 3.18Å
401	F	97.8	Very high	98	Very high	16 Å²	16	13.5 Å²	13.5	7%	0.07	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.1	-174.3	-91.1	-127.7	0	0	0	113.5	T112 P135 M138 C140 L399 S403 M408	T112-F401 WeakPolarHBondContact O-CE2 3.24Å; P135-F401 HydrophobicContact CB-CD1 3.61Å; P135-F401 HydrophobicContact CB-CE1 3.98Å; P135-F401 HydrophobicContact CB-CG 4.17Å; P135-F401 HydrophobicContact CG-CB 3.93Å; P135-F401 HydrophobicContact CG-CD1 3.85Å; P135-F401 HydrophobicContact CG-CG 4.08Å; M138-F401 HydrophobicContact CB-CE1 4.33Å; C140-F401 HydrophobicContact CB-CE1 3.78Å; C140-F401 HydrophobicContact CB-CZ 3.87Å; L399-F401 WeakPolarHBondContact O-CD2 3.46Å; L399-F401 PolarHBondContact O-N 2.67Å; F401-S403 PolarHBondContact O-N 2.75Å; F401-M408 HydrophobicContact CB-CE 4.28Å; F401-M408 HydrophobicContact CD1-CE 3.83Å; F401-M408 HydrophobicContact CD2-CE 3.91Å; F401-M408 HydrophobicContact CD2-SD 4.12Å; F401-M408 HydrophobicContact CE1-CE 4.12Å; F401-M408 HydrophobicContact CE2-CE 4.17Å; F401-M408 HydrophobicContact CE2-SD 4.48Å; F401-M408 HydrophobicContact CG-CE 3.74Å; F401-M408 HydrophobicContact CG-SD 4.4Å; F401-M408 HydrophobicContact CZ-CE 4.29Å
402	Q	95.4	Very high	98	Very high	46 Å²	46	14.5 Å²	14.5	22%	0.215	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.9	175.2	77.3	-78.9	29.5	0	0	113.5	G120 S381 N400 P404	G120-Q402 PolarHBondContact O-NE2 2.65Å; S381-Q402 PolarHBondContact OG-NE2 2.98Å; N400-Q402 VanDerWaalsContact CA-OE1 3.31Å; N400-Q402 PolarHBondContact O-N 3.19Å; Q402-P404 WeakPolarHBondContact O-CD 3.3Å
403	S	96.8	Very high	98	Very high	22 Å²	22	14.6 Å²	14.6	15%	0.154	9%	0.087	C	C	.	.	S	Bend	trans	-105.7	95.3	-175	-67.9	0	0	0	0	112.1	S381 N383 N400 F401 M408	S381-S403 VanDerWaalsContact CB-OG 3.3Å; S381-S403 WeakPolarHBondContact CB-OG 3.33Å; S381-S403 WeakPolarHBondContact O-CB 3.28Å; S381-S403 PolarHBondContact O-OG 2.84Å; N383-S403 PolarHBondContact ND2-O 2.78Å; N400-S403 PolarHBondContact O-N 3.18Å; F401-S403 PolarHBondContact O-N 2.75Å; S403-M408 VanDerWaalsContact O-CG 3.25Å; S403-M408 WeakPolarHBondContact O-CG 3.2Å
404	P	95.8	Very high	98.1	Very high	62 Å²	62	14.8 Å²	14.8	40%	0.403	9%	0.087	S	C	.	.			trans	-67.5	157.9	-179.1	28.3	-35.6	0	0	0	112.7	Q402 R556	Q402-P404 WeakPolarHBondContact O-CD 3.3Å; P404-R556 HydrophobicContact CB-CG 4.11Å; P404-R556 WeakPolarHBondContact CB-O 3.3Å; P404-R556 HydrophobicContact CG-CG 4.46Å
405	G	96.1	Very high	98.1	Very high	18 Å²	18	15 Å²	15	19%	0.186	9%	0.088	C	C	.	.	S	Bend	trans	137.5	-170	177.2	0	0	0	0	0	112	S407 M408 D409	G405-S407 VanDerWaalsContact C-N 3.27Å; G405-S407 PolarHBondContact O-N 3.2Å; G405-S407 VanDerWaalsContact O-N 3.1Å; G405-M408 PolarHBondContact O-N 3.26Å; G405-D409 PolarHBondContact O-N 3.2Å
406	L	97.9	Very high	98	Very high	69 Å²	69	17.4 Å²	17.4	36%	0.361	10%	0.099	S	C	.	.	H	α-helix	trans	-48.3	-46.5	-172.2	176.2	61.9	0	0	0	113.1	M408 D409 L410	L406-M408 VanDerWaalsContact C-N 3.33Å; L406-M408 PolarHBondContact O-N 2.9Å; L406-D409 WeakPolarHBondContact O-CB 3.21Å; L406-D409 PolarHBondContact O-N 2.91Å; L406-L410 HydrophobicContact CD1-CD1 4.38Å; L406-L410 HydrophobicContact CD1-CD2 4.18Å; L406-L410 HydrophobicContact CD1-CG 4.05Å; L406-L410 HydrophobicContact CG-CD1 4.42Å; L406-L410 HydrophobicContact CG-CG 4.42Å; L406-L410 VanDerWaalsContact O-CG 3.31Å; L406-L410 WeakPolarHBondContact O-CG 3.38Å; L406-L410 PolarHBondContact O-N 2.97Å
407	S	98.4	Very high	98	Very high	16 Å²	16	17.5 Å²	17.5	11%	0.112	10%	0.1	C	C	.	.	H	α-helix	trans	-60.4	-41.3	-179.2	-52.4	0	0	0	0	113.3	N383 Y384 G405 N411	N383-S407 WeakPolarHBondContact CB-OG 3.39Å; Y384-S407 WeakPolarHBondContact O-CB 3.36Å; Y384-S407 PolarHBondContact O-OG 3.05Å; G405-S407 VanDerWaalsContact C-N 3.27Å; G405-S407 PolarHBondContact O-N 3.2Å; G405-S407 VanDerWaalsContact O-N 3.1Å; S407-N411 WeakPolarHBondContact O-CB 3.36Å; S407-N411 PolarHBondContact O-N 2.92Å
408	M	98.3	Very high	97.9	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.03	10%	0.1	C	C	.	.	H	α-helix	trans	-76.3	-31.7	176.5	-73.2	-54.4	-60	0	0	111.9	M138 L399 F401 S403 G405 L406 L410 N411 N412	M138-M408 HydrophobicContact CE-CE 4.22Å; L399-M408 HydrophobicContact CB-SD 4Å; L399-M408 HydrophobicContact CD1-SD 4.05Å; F401-M408 HydrophobicContact CB-CE 4.28Å; F401-M408 HydrophobicContact CD1-CE 3.83Å; F401-M408 HydrophobicContact CD2-CE 3.91Å; F401-M408 HydrophobicContact CD2-SD 4.12Å; F401-M408 HydrophobicContact CE1-CE 4.12Å; F401-M408 HydrophobicContact CE2-CE 4.17Å; F401-M408 HydrophobicContact CE2-SD 4.48Å; F401-M408 HydrophobicContact CG-CE 3.74Å; F401-M408 HydrophobicContact CG-SD 4.4Å; F401-M408 HydrophobicContact CZ-CE 4.29Å; S403-M408 VanDerWaalsContact O-CG 3.25Å; S403-M408 WeakPolarHBondContact O-CG 3.2Å; G405-M408 PolarHBondContact O-N 3.26Å; L406-M408 VanDerWaalsContact C-N 3.33Å; L406-M408 PolarHBondContact O-N 2.9Å; M408-L410 VanDerWaalsContact C-N 3.32Å; M408-L410 PolarHBondContact O-N 3.35Å; M408-N411 HydrophobicContact CE-CB 4.46Å; M408-N411 PolarHBondContact O-N 3.48Å; M408-N411 HydrophobicContact SD-CB 4.37Å; M408-N412 WeakPolarHBondContact O-CB 3.17Å; M408-N412 PolarHBondContact O-N 3Å; M408-N412 PolarHBondContact O-ND2 2.92Å; M408-N412 PolarHBondContact O-OD1 3.42Å
409	D	98.7	Very high	97.9	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-58	-46.6	169.8	-63.9	-15.9	0	0	0	110.4	G405 L406 G413 R519 Q536 T538	G405-D409 PolarHBondContact O-N 3.2Å; L406-D409 WeakPolarHBondContact O-CB 3.21Å; L406-D409 PolarHBondContact O-N 2.91Å; D409-G413 PolarHBondContact O-N 2.66Å; D409-R519 IonicContact OD2-CZ 3.12Å; D409-R519 IonicContact OD2-NE 3.67Å; D409-R519 PolarHBondContact OD2-NE 3.47Å; D409-R519 IonicContact OD2-NH2 3.43Å; D409-R519 PolarHBondContact OD2-NH2 2.69Å; D409-Q536 HydrophobicContact CB-CG 4.42Å; D409-Q536 PolarHBondContact OD1-NE2 3.35Å; D409-Q536 WeakPolarHBondContact OD2-CG 3.26Å; D409-T538 WeakPolarHBondContact O-CB 3.4Å
410	L	98.8	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-41.1	176.7	-63.2	-175	0	0	0	112.1	N385 P386 Q387 W390 L406 M408 R414 H479 L517 T538	N385-L410 WeakPolarHBondContact OD1-CD1 3.16Å; P386-L410 HydrophobicContact CG-CB 4.08Å; P386-L410 HydrophobicContact CG-CD1 4.39Å; Q387-L410 HydrophobicContact CB-CD1 4.49Å; W390-L410 HydrophobicContact CZ3-CB 4.3Å; L406-L410 HydrophobicContact CD1-CD1 4.38Å; L406-L410 HydrophobicContact CD1-CD2 4.18Å; L406-L410 HydrophobicContact CD1-CG 4.05Å; L406-L410 HydrophobicContact CG-CD1 4.42Å; L406-L410 HydrophobicContact CG-CG 4.42Å; L406-L410 VanDerWaalsContact O-CG 3.31Å; L406-L410 WeakPolarHBondContact O-CG 3.38Å; L406-L410 PolarHBondContact O-N 2.97Å; M408-L410 VanDerWaalsContact C-N 3.32Å; M408-L410 PolarHBondContact O-N 3.35Å; L410-R414 WeakPolarHBondContact O-CB 3.38Å; L410-R414 PolarHBondContact O-N 3.07Å; L410-H479 HydrophobicContact CD1-CB 4.42Å; L410-H479 HydrophobicContact CD2-CB 4.14Å; L410-L517 HydrophobicContact CB-CD1 3.94Å; L410-L517 HydrophobicContact CD2-CB 4.5Å; L410-L517 HydrophobicContact CD2-CD1 3.93Å; L410-L517 HydrophobicContact CG-CD1 4.41Å; L410-T538 HydrophobicContact CD2-CG2 3.86Å
411	N	98.8	Very high	97.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-56	176	-172	80.8	0	0	0	111.7	L399 S407 M408 G413 R414 F415	L399-N411 HydrophobicContact CD1-CB 3.8Å; S407-N411 WeakPolarHBondContact O-CB 3.36Å; S407-N411 PolarHBondContact O-N 2.92Å; M408-N411 HydrophobicContact CE-CB 4.46Å; M408-N411 PolarHBondContact O-N 3.48Å; M408-N411 HydrophobicContact SD-CB 4.37Å; N411-G413 VanDerWaalsContact C-N 3.25Å; N411-G413 PolarHBondContact O-N 2.97Å; N411-R414 PolarHBondContact O-N 2.99Å; N411-F415 VanDerWaalsContact O-CD2 3.24Å; N411-F415 WeakPolarHBondContact O-CD2 3.39Å; N411-F415 PolarHBondContact O-N 3.02Å; N411-F415 WeakPolarHBondContact OD1-CD2 3.29Å; N411-F415 WeakPolarHBondContact OD1-CE2 3.47Å
412	N	98.3	Very high	97.9	Very high	38 Å²	38	18.7 Å²	18.7	20%	0.203	12%	0.117	C	C	.	.	H	α-helix	trans	-62	-38.8	179.8	-62.2	-9.7	0	0	0	110.7	M138 M408 F415 Q416	M138-N412 WeakPolarHBondContact CE-ND2 3.19Å; M138-N412 WeakPolarHBondContact CE-OD1 3.24Å; M408-N412 WeakPolarHBondContact O-CB 3.17Å; M408-N412 PolarHBondContact O-N 3Å; M408-N412 PolarHBondContact O-ND2 2.92Å; M408-N412 PolarHBondContact O-OD1 3.42Å; N412-F415 PolarHBondContact O-N 2.89Å; N412-Q416 WeakPolarHBondContact O-CB 3.27Å; N412-Q416 PolarHBondContact O-N 3.46Å
413	G	98.3	Very high	98.1	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-39.4	176.5	0	0	0	0	0	113.5	D409 N411 Q416 T538 P540	D409-G413 PolarHBondContact O-N 2.66Å; N411-G413 VanDerWaalsContact C-N 3.25Å; N411-G413 PolarHBondContact O-N 2.97Å; G413-Q416 VanDerWaalsContact O-CG 3.28Å; G413-Q416 WeakPolarHBondContact O-CG 3.31Å; G413-T538 WeakPolarHBondContact CA-O 3.26Å; G413-P540 VanDerWaalsContact O-CD 3.29Å; G413-P540 WeakPolarHBondContact O-CD 3.25Å
414	R	98.6	Very high	98.2	Very high	6 Å²	6	15.7 Å²	15.7	2%	0.023	10%	0.101	C	C	.	.	H	α-helix	trans	-69.8	-46.6	174.8	-178.2	165.7	-65.8	-74.6	1.4	111.7	W390 L410 N411 D417 L515 L517	W390-R414 HydrophobicContact CH2-CB 4.16Å; W390-R414 HydrophobicContact CZ3-CB 4.35Å; L410-R414 WeakPolarHBondContact O-CB 3.38Å; L410-R414 PolarHBondContact O-N 3.07Å; N411-R414 PolarHBondContact O-N 2.99Å; R414-D417 VanDerWaalsContact O-CB 3.26Å; R414-D417 WeakPolarHBondContact O-CB 3.11Å; R414-D417 PolarHBondContact O-N 3.37Å; R414-L515 PolarHBondContact NH2-O 3.42Å; R414-L515 VanDerWaalsContact NH2-O 3.12Å; R414-L517 HydrophobicContact CB-CD1 4.4Å; R414-L517 HydrophobicContact CB-CD2 4.06Å
415	F	98.6	Very high	98.3	Very high	5 Å²	5	15 Å²	15	2%	0.022	9%	0.093	C	C	.	.	H	α-helix	trans	-87.8	0.7	-171.1	-68.6	-68.4	0	0	0	114.7	F109 I110 S111 W390 N411 N412 D417 G420 V424	F109-F415 HydrophobicContact CB-CE1 4.21Å; F109-F415 HydrophobicContact CB-CZ 4.14Å; I110-F415 VanDerWaalsContact C-CZ 3.41Å; S111-F415 VanDerWaalsContact CA-CZ 3.47Å; S111-F415 VanDerWaalsContact N-CE1 3.26Å; W390-F415 AromaticContact CZ2-CE2 3.97Å; W390-F415 HydrophobicContact CZ2-CE2 3.97Å; N411-F415 VanDerWaalsContact O-CD2 3.24Å; N411-F415 WeakPolarHBondContact O-CD2 3.39Å; N411-F415 PolarHBondContact O-N 3.02Å; N411-F415 WeakPolarHBondContact OD1-CD2 3.29Å; N411-F415 WeakPolarHBondContact OD1-CE2 3.47Å; N412-F415 PolarHBondContact O-N 2.89Å; F415-D417 VanDerWaalsContact C-N 3.26Å; F415-G420 VanDerWaalsContact O-CA 3.31Å; F415-G420 WeakPolarHBondContact O-CA 3.24Å; F415-V424 HydrophobicContact CD1-CG2 3.87Å; F415-V424 HydrophobicContact CE1-CG2 4.22Å
416	Q	97.4	Very high	98.4	Very high	49 Å²	49	14.4 Å²	14.4	23%	0.229	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.5	162.8	66.2	168.9	-29	0	0	112.9	F90 N412 G413 Y537 T538	F90-Q416 HydrophobicContact CE2-CG 3.77Å; F90-Q416 HydrophobicContact CZ-CG 4.17Å; N412-Q416 WeakPolarHBondContact O-CB 3.27Å; N412-Q416 PolarHBondContact O-N 3.46Å; G413-Q416 VanDerWaalsContact O-CG 3.28Å; G413-Q416 WeakPolarHBondContact O-CG 3.31Å; Q416-Y537 PolarHBondContact NE2-OH 2.86Å; Q416-Y537 PolarHBondContact OE1-OH 3.03Å; Q416-T538 PolarHBondContact NE2-O 3.35Å
417	D	98.3	Very high	98.3	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	7%	0.073	C	C	.	.	S	Bend	trans	-67.4	166.5	172	-163.1	9.1	0	0	0	110.9	H94 Y98 Q99 R414 F415 G419 G420 V424 P540 S543	H94-D417 WeakPolarHBondContact CB-OD1 3.16Å; H94-D417 IonicContact CG-OD1 2.75Å; H94-D417 IonicContact ND1-OD1 3.61Å; Y98-D417 WeakPolarHBondContact CE1-OD1 3.49Å; Y98-D417 PolarHBondContact OH-OD1 3.27Å; Y98-D417 PolarHBondContact OH-OD2 3Å; Q99-D417 PolarHBondContact NE2-OD2 2.71Å; R414-D417 VanDerWaalsContact O-CB 3.26Å; R414-D417 WeakPolarHBondContact O-CB 3.11Å; R414-D417 PolarHBondContact O-N 3.37Å; F415-D417 VanDerWaalsContact C-N 3.26Å; D417-G419 VanDerWaalsContact C-N 3.26Å; D417-G419 PolarHBondContact O-N 3.03Å; D417-G420 PolarHBondContact O-N 3.41Å; D417-V424 HydrophobicContact CB-CG2 4.4Å; D417-P540 HydrophobicContact CB-CG 3.83Å; D417-S543 PolarHBondContact OD1-OG 2.98Å
418	N	98.6	Very high	98	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	51.3	45	176.9	-164.8	34.5	0	0	0	113.1	H94 T96 V97 Y98 Q99 M101 G420 C421 Y423	H94-N418 PolarHBondContact O-N 3.3Å; T96-N418 CarbonylContact O-C 3.4Å; V97-N418 WeakPolarHBondContact CA-OD1 3.31Å; Y98-N418 HydrophobicContact CD1-CB 4.5Å; Y98-N418 HydrophobicContact CE1-CB 4.17Å; Y98-N418 PolarHBondContact N-OD1 3.33Å; Q99-N418 WeakPolarHBondContact CB-OD1 3.4Å; Q99-N418 HydrophobicContact CG-CB 4.13Å; Q99-N418 PolarHBondContact N-OD1 3.26Å; Q99-N418 PolarHBondContact OE1-ND2 3.03Å; M101-N418 PolarHBondContact SD-ND2 3.42Å; N418-G420 VanDerWaalsContact C-N 3.27Å; N418-G420 PolarHBondContact O-N 3.01Å; N418-C421 PolarHBondContact ND2-SG 2.96Å; N418-C421 VanDerWaalsContact ND2-SG 3.42Å; N418-C421 WeakPolarHBondContact O-CB 3.36Å; N418-C421 PolarHBondContact O-N 2.92Å; N418-C421 PolarHBondContact O-SG 3.3Å; N418-C421 VanDerWaalsContact O-SG 3.33Å; N418-Y423 PolarHBondContact ND2-O 3.17Å
419	G	98	Very high	97.7	Very high	28 Å²	28	16 Å²	16	29%	0.289	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	74.4	11.5	179.6	0	0	0	0	0	115.6	H94 K95 T96 D417 C421	H94-G419 PolarHBondContact O-N 2.86Å; K95-G419 VanDerWaalsContact C-CA 3.42Å; K95-G419 WeakPolarHBondContact O-CA 3.3Å; T96-G419 PolarHBondContact O-N 2.62Å; T96-G419 VanDerWaalsContact O-N 3.14Å; D417-G419 VanDerWaalsContact C-N 3.26Å; D417-G419 PolarHBondContact O-N 3.03Å; G419-C421 VanDerWaalsContact C-N 3.25Å; G419-C421 PolarHBondContact O-N 2.9Å
420	G	98	Very high	97.5	Very high	10 Å²	10	15.9 Å²	15.9	10%	0.103	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	64	36.8	-172.7	0	0	0	0	0	111.1	Q139 F415 D417 N418 G422	Q139-G420 WeakPolarHBondContact CB-O 3.47Å; Q139-G420 WeakPolarHBondContact CG-O 3.45Å; F415-G420 VanDerWaalsContact O-CA 3.31Å; F415-G420 WeakPolarHBondContact O-CA 3.24Å; D417-G420 PolarHBondContact O-N 3.41Å; N418-G420 VanDerWaalsContact C-N 3.27Å; N418-G420 PolarHBondContact O-N 3.01Å; G420-G422 VanDerWaalsContact C-N 3.33Å
421	C	98.6	Very high	97.2	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.034	11%	0.113	C	C	.	.			trans	-87.9	-7.4	-171.8	82.6	0	0	0	0	113	V97 S184 Y186 N418 G419 Y423	V97-C421 HydrophobicContact CG2-CB 3.89Å; S184-C421 WeakPolarHBondContact CB-O 3.24Å; S184-C421 PolarHBondContact OG-O 2.97Å; Y186-C421 HydrophobicContact CD2-CB 3.54Å; Y186-C421 HydrophobicContact CE2-CB 3.68Å; N418-C421 PolarHBondContact ND2-SG 2.96Å; N418-C421 VanDerWaalsContact ND2-SG 3.42Å; N418-C421 WeakPolarHBondContact O-CB 3.36Å; N418-C421 PolarHBondContact O-N 2.92Å; N418-C421 PolarHBondContact O-SG 3.3Å; N418-C421 VanDerWaalsContact O-SG 3.33Å; G419-C421 VanDerWaalsContact C-N 3.25Å; G419-C421 PolarHBondContact O-N 2.9Å; C421-Y423 VanDerWaalsContact C-N 3.3Å; C421-Y423 PolarHBondContact SG-O 2.99Å
422	G	98.7	Very high	96.5	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	14%	0.14	C	C	.	.	S	Bend	trans	85.8	-3.8	-179.9	0	0	0	0	0	114.9	S111 Q139 G420	S111-G422 PolarHBondContact N-O 2.7Å; Q139-G422 VanDerWaalsContact O-CA 3.28Å; Q139-G422 WeakPolarHBondContact O-CA 3.43Å; G420-G422 VanDerWaalsContact C-N 3.33Å
423	Y	98.9	Very high	95.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.3	173.3	-71.3	-95	0	0	0	109.7	L105 Y108 F109 I110 R141 Y186 P187 P232 N418 C421	L105-Y423 HydrophobicContact CD2-CE1 3.8Å; Y108-Y423 HydrophobicContact CG-CD1 4.3Å; F109-Y423 WeakPolarHBondContact O-CA 3.48Å; I110-Y423 HydrophobicContact CB-CE1 4.28Å; I110-Y423 HydrophobicContact CD1-CD1 4.29Å; I110-Y423 HydrophobicContact CD1-CE1 3.69Å; I110-Y423 HydrophobicContact CG1-CD1 3.77Å; I110-Y423 HydrophobicContact CG1-CE1 3.59Å; I110-Y423 HydrophobicContact CG2-CD1 4.41Å; I110-Y423 HydrophobicContact CG2-CE1 3.82Å; R141-Y423 HydrophobicContact CB-CD2 4.45Å; R141-Y423 HydrophobicContact CB-CE2 3.67Å; R141-Y423 HydrophobicContact CG-CD2 3.84Å; R141-Y423 HydrophobicContact CG-CE2 3.43Å; R141-Y423 VanDerWaalsContact CG-CE2 3.43Å; Y186-Y423 VanDerWaalsContact CB-CD2 3.49Å; Y186-Y423 HydrophobicContact CG-CD2 4.13Å; P187-Y423 HydrophobicContact CG-CE2 4.18Å; P187-Y423 WeakPolarHBondContact O-CE2 3.35Å; P187-Y423 PolarHBondContact O-OH 2.8Å; P232-Y423 HydrophobicContact CG-CD1 4.03Å; P232-Y423 HydrophobicContact CG-CG 4.37Å; N418-Y423 PolarHBondContact ND2-O 3.17Å; C421-Y423 VanDerWaalsContact C-N 3.3Å; C421-Y423 PolarHBondContact SG-O 2.99Å
424	V	98.8	Very high	93.9	Very high	5 Å²	5	33 Å²	33	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.8	178	177.7	0	0	0	0	108.3	Y108 F109 F415 D417 K426	Y108-V424 CarbonylContact C-O 3.58Å; Y108-V424 WeakPolarHBondContact CA-O 3.28Å; F109-V424 HydrophobicContact CB-CB 4.5Å; F109-V424 PolarHBondContact N-O 3.38Å; F109-V424 PolarHBondContact O-N 3.48Å; F415-V424 HydrophobicContact CD1-CG2 3.87Å; F415-V424 HydrophobicContact CE1-CG2 4.22Å; D417-V424 HydrophobicContact CB-CG2 4.4Å; V424-K426 PolarHBondContact O-N 3.25Å
425	L	98.6	Very high	92.8	Very high	46 Å²	46	43 Å²	43	24%	0.241	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	133.5	-179.9	-173.8	67	0	0	0	109.8	Q99 D100 Q103 Y108	Q99-L425 HydrophobicContact CB-CB 4.18Å; D100-L425 HydrophobicContact CB-CD2 4.19Å; Q103-L425 HydrophobicContact CB-CD1 4.24Å; Q103-L425 HydrophobicContact CG-CD1 4.02Å; Y108-L425 HydrophobicContact CD1-CB 4.12Å; Y108-L425 HydrophobicContact CD1-CD1 4.18Å; Y108-L425 HydrophobicContact CE1-CB 3.98Å; Y108-L425 HydrophobicContact CE1-CD1 3.7Å; Y108-L425 HydrophobicContact CE1-CG 4.44Å; Y108-L425 HydrophobicContact CE2-CD1 4.35Å
426	K	98.3	Very high	91.8	Very high	7 Å²	7	46.9 Å²	46.9	3%	0.03	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.5	148.8	176.4	-70	171.4	-175.5	-174.7	0	110	T106 S107 F109 N365 G393 V424 L430 M431	T106-K426 WeakPolarHBondContact O-CE 3.46Å; T106-K426 PolarHBondContact O-NZ 2.93Å; S107-K426 VanDerWaalsContact O-CB 3.26Å; S107-K426 WeakPolarHBondContact O-CB 3.18Å; S107-K426 WeakPolarHBondContact O-CG 3.34Å; S107-K426 PolarHBondContact O-N 3Å; F109-K426 HydrophobicContact CD1-CG 4.19Å; F109-K426 HydrophobicContact CD2-CG 4.31Å; F109-K426 HydrophobicContact CE1-CG 3.98Å; F109-K426 HydrophobicContact CE2-CG 4.11Å; F109-K426 HydrophobicContact CG-CG 4.37Å; F109-K426 HydrophobicContact CZ-CG 3.95Å; N365-K426 PolarHBondContact O-NZ 3.36Å; G393-K426 WeakPolarHBondContact O-CE 3.36Å; G393-K426 PolarHBondContact O-NZ 3.5Å; V424-K426 PolarHBondContact O-N 3.25Å; K426-L430 HydrophobicContact CB-CB 4.27Å; K426-L430 HydrophobicContact CD-CB 4.42Å; K426-M431 HydrophobicContact CB-CG 4.4Å; K426-M431 HydrophobicContact CB-SD 3.93Å; K426-M431 HydrophobicContact CD-SD 4.47Å
427	P	95.3	Very high	91.4	Very high	15 Å²	15	45.3 Å²	45.3	10%	0.097	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-66	154.3	172.6	26.7	-33.7	0	0	0	112.2	V429 L430 M431 E514 L515	P427-V429 HydrophobicContact CB-CG2 4.16Å; P427-V429 HydrophobicContact CG-CG2 4.06Å; P427-V429 PolarHBondContact O-N 3.48Å; P427-L430 HydrophobicContact CG-CD1 4.11Å; P427-L430 HydrophobicContact CG-CG 4.2Å; P427-L430 PolarHBondContact O-N 3Å; P427-M431 WeakPolarHBondContact O-CG 3.27Å; P427-M431 PolarHBondContact O-N 3.47Å; P427-E514 HydrophobicContact CB-CB 3.8Å; P427-E514 HydrophobicContact CB-CG 3.2Å; P427-E514 HydrophobicContact CG-CG 4.07Å; P427-L515 HydrophobicContact CG-CD2 3.39Å; P427-L515 HydrophobicContact CG-CG 3.82Å
428	A	92.3	Very high	91	Very high	78 Å²	78	46.5 Å²	46.5	65%	0.645	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-52.2	-33.9	-178.3	0	0	0	0	0	113.8	L430 M431	A428-L430 PolarHBondContact O-N 2.92Å; A428-L430 VanDerWaalsContact O-N 3.16Å; A428-M431 PolarHBondContact O-N 3.22Å
429	V	91.8	Very high	90.5	Very high	32 Å²	32	47.3 Å²	47.3	19%	0.194	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-62.8	-19.4	176.7	-60.5	0	0	0	0	114	P427 F437 V512 E514 L515	P427-V429 HydrophobicContact CB-CG2 4.16Å; P427-V429 HydrophobicContact CG-CG2 4.06Å; P427-V429 PolarHBondContact O-N 3.48Å; V429-F437 HydrophobicContact CB-CB 4.42Å; V429-F437 HydrophobicContact CB-CD1 4.23Å; V429-F437 HydrophobicContact CB-CD2 4.07Å; V429-F437 HydrophobicContact CB-CE2 4.4Å; V429-F437 HydrophobicContact CB-CG 4Å; V429-F437 HydrophobicContact CG2-CD1 4.34Å; V429-F437 HydrophobicContact CG2-CE1 4.27Å; V429-F437 HydrophobicContact CG2-CZ 4.41Å; V429-F437 WeakPolarHBondContact O-CB 3.47Å; V429-V512 HydrophobicContact CG2-CG1 4.03Å; V429-E514 WeakPolarHBondContact CG1-OE1 3.18Å; V429-L515 HydrophobicContact CG2-CD1 4.15Å; V429-L515 HydrophobicContact CG2-CG 4.39Å
430	L	95.3	Very high	89.9	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-103.3	-4.9	175.3	-65	-177.1	0	0	0	113.3	F109 I362 Q366 W390 K426 P427 A428 F437 L515	F109-L430 HydrophobicContact CE1-CD1 4.34Å; F109-L430 HydrophobicContact CZ-CD1 3.73Å; I362-L430 HydrophobicContact CD1-CD2 4.07Å; I362-L430 HydrophobicContact CG1-CD2 3.93Å; I362-L430 HydrophobicContact CG2-CD2 4.06Å; Q366-L430 VanDerWaalsContact CG-O 3.24Å; Q366-L430 WeakPolarHBondContact CG-O 3.44Å; Q366-L430 PolarHBondContact NE2-O 3.46Å; W390-L430 VanDerWaalsContact O-CD1 3.32Å; W390-L430 WeakPolarHBondContact O-CD1 3.41Å; K426-L430 HydrophobicContact CB-CB 4.27Å; K426-L430 HydrophobicContact CD-CB 4.42Å; P427-L430 HydrophobicContact CG-CD1 4.11Å; P427-L430 HydrophobicContact CG-CG 4.2Å; P427-L430 PolarHBondContact O-N 3Å; A428-L430 PolarHBondContact O-N 2.92Å; A428-L430 VanDerWaalsContact O-N 3.16Å; L430-F437 HydrophobicContact CD2-CD1 3.99Å; L430-F437 HydrophobicContact CD2-CE1 4.24Å; L430-L515 HydrophobicContact CD1-CD2 3.53Å; L430-L515 HydrophobicContact CG-CD2 4.19Å
431	M	91.4	Very high	89.2	Confident	31 Å²	31	52.5 Å²	52.5	15%	0.153	30%	0.297	C	S	.	.	S	Bend	trans	-89.8	158.8	179.8	-63.7	-67.9	-68.2	0	0	110.4	S107 Q366 K426 P427 A428 S433	S107-M431 VanDerWaalsContact OG-CE 3.24Å; S107-M431 WeakPolarHBondContact OG-CE 3.11Å; Q366-M431 VanDerWaalsContact NE2-C 3.32Å; Q366-M431 PolarHBondContact NE2-O 3.32Å; K426-M431 HydrophobicContact CB-CG 4.4Å; K426-M431 HydrophobicContact CB-SD 3.93Å; K426-M431 HydrophobicContact CD-SD 4.47Å; P427-M431 WeakPolarHBondContact O-CG 3.27Å; P427-M431 PolarHBondContact O-N 3.47Å; A428-M431 PolarHBondContact O-N 3.22Å; M431-S433 PolarHBondContact O-N 3.44Å
432	P	85.3	Confident	88.4	Confident	88 Å²	88	53.4 Å²	53.4	57%	0.571	30%	0.303	S	S	*	.	S	Bend	trans	-52.4	123.5	174	-23.5	32.5	0	0	0	110.9	Q366	Q366-P432 HydrophobicContact CB-CG 4.16Å; Q366-P432 HydrophobicContact CG-CG 4.31Å
433	S	80.3	Confident	87.2	Confident	74 Å²	74	53.7 Å²	53.7	52%	0.517	31%	0.305	S	S	.	.			trans	-153.8	163.7	175.6	69.1	0	0	0	0	110.4	M431 R435	M431-S433 PolarHBondContact O-N 3.44Å; S433-R435 PolarHBondContact O-N 3.36Å; S433-R435 PolarHBondContact OG-O 3.33Å; S433-R435 VanDerWaalsContact OG-O 3.08Å
434	E	61.7	Low	86.1	Confident	207 Å²	207	62.9 Å²	62.9	97%	0.967	34%	0.339	S	S	*	.	S	Bend	trans	-64.3	-22	179.5	-64.7	-171.8	163.1	0	0	113.4
435	R	74.7	Confident	85.2	Confident	216 Å²	216	72.2 Å²	72.2	82%	0.815	38%	0.375	S	S	*	.	S	Bend	trans	-105.7	125.2	-177.7	-64.8	-176	-177.3	-179.7	1.5	110.4	S433 F437	S433-R435 PolarHBondContact O-N 3.36Å; S433-R435 PolarHBondContact OG-O 3.33Å; S433-R435 VanDerWaalsContact OG-O 3.08Å; R435-F437 PolarHBondContact O-N 3.49Å
436	S	78.7	Confident	84.5	Confident	87 Å²	87	73.3 Å²	73.3	61%	0.608	38%	0.381	S	S	*	.			trans	-71.9	129.2	174.3	56.2	0	0	0	0	111.2
437	F	88.5	Confident	84	Confident	16 Å²	16	82.1 Å²	82.1	7%	0.07	42%	0.419	C	S	.	.			trans	-91.9	133.6	170.3	179.1	-113.9	0	0	0	110.3	I362 V429 L430 R435 P439 I481 V512 L515	I362-F437 HydrophobicContact CD1-CD1 3.76Å; I362-F437 HydrophobicContact CD1-CE1 4.43Å; I362-F437 WeakPolarHBondContact CD1-O 3.26Å; V429-F437 HydrophobicContact CB-CB 4.42Å; V429-F437 HydrophobicContact CB-CD1 4.23Å; V429-F437 HydrophobicContact CB-CD2 4.07Å; V429-F437 HydrophobicContact CB-CE2 4.4Å; V429-F437 HydrophobicContact CB-CG 4Å; V429-F437 HydrophobicContact CG2-CD1 4.34Å; V429-F437 HydrophobicContact CG2-CE1 4.27Å; V429-F437 HydrophobicContact CG2-CZ 4.41Å; V429-F437 WeakPolarHBondContact O-CB 3.47Å; L430-F437 HydrophobicContact CD2-CD1 3.99Å; L430-F437 HydrophobicContact CD2-CE1 4.24Å; R435-F437 PolarHBondContact O-N 3.49Å; F437-P439 HydrophobicContact CD1-CG 4.35Å; F437-P439 HydrophobicContact CE1-CB 4.38Å; F437-P439 HydrophobicContact CE1-CG 3.78Å; F437-P439 HydrophobicContact CZ-CG 4.38Å; F437-I481 HydrophobicContact CZ-CG2 4.43Å; F437-V512 HydrophobicContact CE2-CG2 4.27Å; F437-V512 HydrophobicContact CZ-CG2 4.27Å; F437-L515 HydrophobicContact CE1-CD1 3.98Å; F437-L515 HydrophobicContact CZ-CD1 4.12Å
438	D	89.1	Confident	83.9	Confident	29 Å²	29	84.5 Å²	84.5	16%	0.155	44%	0.435	C	S	.	.			trans	-128.9	116.7	169	-173.1	-55	0	0	0	109	S440 T441 S442	D438-S440 PolarHBondContact O-N 3.42Å; D438-S440 WeakPolarHBondContact OD1-CA 3.37Å; D438-S440 WeakPolarHBondContact OD1-CB 3.44Å; D438-S440 PolarHBondContact OD1-N 2.91Å; D438-S440 PolarHBondContact OD1-OG 3.03Å; D438-T441 WeakPolarHBondContact CB-OG1 3.41Å; D438-T441 PolarHBondContact O-N 3.12Å; D438-T441 VanDerWaalsContact O-N 3.15Å; D438-S442 PolarHBondContact N-OG 2.96Å; D438-S442 VanDerWaalsContact O-CB 3.3Å; D438-S442 WeakPolarHBondContact O-CB 3.33Å; D438-S442 PolarHBondContact O-N 2.95Å; D438-S442 PolarHBondContact O-OG 3.08Å
439	P	87.9	Confident	84	Confident	18 Å²	18	83.4 Å²	83.4	12%	0.117	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.3	-177.8	-27.9	34.5	0	0	0	115.3	A358 I362 N391 V392 F437 I481	A358-P439 HydrophobicContact CB-CG 4.5Å; I362-P439 HydrophobicContact CD1-CG 4.01Å; N391-P439 WeakPolarHBondContact O-CG 3.26Å; V392-P439 HydrophobicContact CG1-CG 4.41Å; F437-P439 HydrophobicContact CD1-CG 4.35Å; F437-P439 HydrophobicContact CE1-CB 4.38Å; F437-P439 HydrophobicContact CE1-CG 3.78Å; F437-P439 HydrophobicContact CZ-CG 4.38Å; P439-I481 HydrophobicContact CB-CB 4.37Å; P439-I481 HydrophobicContact CB-CG2 3.87Å
440	S	85.1	Confident	84.2	Confident	81 Å²	81	87 Å²	87	57%	0.566	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-24.4	-177.3	71.8	0	0	0	0	114.1	D438	D438-S440 PolarHBondContact O-N 3.42Å; D438-S440 WeakPolarHBondContact OD1-CA 3.37Å; D438-S440 WeakPolarHBondContact OD1-CB 3.44Å; D438-S440 PolarHBondContact OD1-N 2.91Å; D438-S440 PolarHBondContact OD1-OG 3.03Å
441	T	84.7	Confident	84.3	Confident	66 Å²	66	87 Å²	87	41%	0.405	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-36.5	-173.2	56.6	0	0	0	0	113.8	D438 C443 R444	D438-T441 WeakPolarHBondContact CB-OG1 3.41Å; D438-T441 PolarHBondContact O-N 3.12Å; D438-T441 VanDerWaalsContact O-N 3.15Å; T441-C443 PolarHBondContact O-N 3.33Å; T441-R444 PolarHBondContact O-N 2.94Å
442	S	81.4	Confident	84.6	Confident	24 Å²	24	87.9 Å²	87.9	17%	0.168	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-63.6	-28.2	-176.3	-61.1	0	0	0	0	113.4	D438 R444 Y445	D438-S442 PolarHBondContact N-OG 2.96Å; D438-S442 VanDerWaalsContact O-CB 3.3Å; D438-S442 WeakPolarHBondContact O-CB 3.33Å; D438-S442 PolarHBondContact O-N 2.95Å; D438-S442 PolarHBondContact O-OG 3.08Å; S442-R444 PolarHBondContact O-N 2.73Å; S442-R444 VanDerWaalsContact O-N 3.09Å; S442-Y445 PolarHBondContact O-N 3.11Å; S442-Y445 VanDerWaalsContact O-N 3.15Å
443	C	74.4	Confident	85.2	Confident	6 Å²	6	83.7 Å²	83.7	4%	0.041	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-59.4	-21.4	178.2	59.5	0	0	0	0	113.8	T441 Y445 L446 I481 F483 T511	T441-C443 PolarHBondContact O-N 3.33Å; C443-Y445 PolarHBondContact O-N 3.3Å; C443-L446 PolarHBondContact O-N 2.86Å; C443-I481 HydrophobicContact CB-CD1 3.92Å; C443-F483 HydrophobicContact CB-CB 4.35Å; C443-F483 HydrophobicContact CB-CD1 4.25Å; C443-F483 HydrophobicContact CB-CG 4.26Å; C443-T511 HydrophobicContact CB-CG2 4.11Å; C443-T511 VanDerWaalsContact O-CG2 3.3Å; C443-T511 WeakPolarHBondContact O-CG2 3.49Å
444	R	74.9	Confident	86.1	Confident	193 Å²	193	82.9 Å²	82.9	73%	0.728	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-69.9	-17.6	179.6	-60.8	-177.2	-172.9	-165.8	1.7	113.7	T441 S442	T441-R444 PolarHBondContact O-N 2.94Å; S442-R444 PolarHBondContact O-N 2.73Å; S442-R444 VanDerWaalsContact O-N 3.09Å
445	Y	79.2	Confident	87.9	Confident	201 Å²	201	73 Å²	73	79%	0.788	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-109.6	-4	-175.5	-52.1	-75.9	0	0	0	112.9	S442 C443	S442-Y445 PolarHBondContact O-N 3.11Å; S442-Y445 VanDerWaalsContact O-N 3.15Å; C443-Y445 PolarHBondContact O-N 3.3Å
446	L	84.6	Confident	89	Confident	69 Å²	69	63 Å²	63	36%	0.361	32%	0.316	S	S	.	.	S	Bend	trans	-93.7	141.7	179.2	-64.6	177.2	0	0	0	109.8	C443 P448 T511 V512	C443-L446 PolarHBondContact O-N 2.86Å; L446-P448 VanDerWaalsContact O-CD 3.29Å; L446-P448 WeakPolarHBondContact O-CD 3.41Å; L446-T511 HydrophobicContact CB-CG2 3.7Å; L446-V512 HydrophobicContact CD1-CG2 3.77Å
447	K	87.9	Confident	89.9	Confident	192 Å²	192	59.1 Å²	59.1	84%	0.835	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-79.2	116.7	177	-175	179.3	178.5	-177	0	109.2
448	P	92.1	Very high	90.3	Very high	66 Å²	66	58.4 Å²	58.4	43%	0.429	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-68.9	145.7	179.5	-16.4	30.2	0	0	0	112.1	L446 N509 I510 T511	L446-P448 VanDerWaalsContact O-CD 3.29Å; L446-P448 WeakPolarHBondContact O-CD 3.41Å; P448-N509 HydrophobicContact CB-CB 4.5Å; P448-I510 CarbonylContact C-O 3.56Å; P448-I510 WeakPolarHBondContact CA-O 3.46Å; P448-T511 HydrophobicContact CG-CG2 4.23Å
449	I	95	Very high	90.5	Very high	55 Å²	55	57.3 Å²	57.3	28%	0.282	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.2	162.8	-63.4	-175.5	0	0	0	108.4	I510 P513 Y572	I449-I510 PolarHBondContact N-O 3.32Å; I449-I510 PolarHBondContact O-N 3.03Å; I449-P513 HydrophobicContact CD1-CG 3.94Å; I449-Y572 HydrophobicContact CG2-CD2 4Å; I449-Y572 HydrophobicContact CG2-CG 4.27Å
450	Q	96.4	Very high	90.7	Very high	107 Å²	107	59.9 Å²	59.9	50%	0.5	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	104	175.3	-173	177.1	19.2	0	0	109.7	V452 F508 Y572	Q450-V452 HydrophobicContact CG-CG2 4.27Å; Q450-V452 PolarHBondContact O-N 3.19Å; Q450-F508 CarbonylContact C-O 3.51Å; Q450-F508 WeakPolarHBondContact CA-O 3.36Å; Q450-Y572 WeakPolarHBondContact O-CA 3.44Å
451	L	97.8	Very high	91.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.9	168.9	170.8	69.3	0	0	0	109.7	L453 I478 N507 F508 I510 I518 F541 L544 V570 Y572	L451-L453 HydrophobicContact CG-CB 4.33Å; L451-I478 HydrophobicContact CD2-CD1 4.27Å; L451-N507 CarbonylContact O-C 3.41Å; L451-N507 VanDerWaalsContact O-CA 3.28Å; L451-N507 WeakPolarHBondContact O-CA 3.28Å; L451-F508 HydrophobicContact CB-CB 4.2Å; L451-F508 HydrophobicContact CD2-CB 4.41Å; L451-F508 HydrophobicContact CD2-CD2 3.73Å; L451-F508 HydrophobicContact CD2-CE2 4.43Å; L451-F508 HydrophobicContact CD2-CG 4.37Å; L451-F508 HydrophobicContact CG-CD2 4.16Å; L451-F508 PolarHBondContact N-O 2.91Å; L451-F508 PolarHBondContact O-N 2.99Å; L451-I510 HydrophobicContact CB-CD1 4.06Å; L451-I510 HydrophobicContact CD2-CD1 4.28Å; L451-I518 HydrophobicContact CD2-CD1 3.95Å; L451-F541 HydrophobicContact CB-CE2 4.19Å; L451-F541 HydrophobicContact CD1-CE2 4.34Å; L451-F541 HydrophobicContact CD2-CE2 4.07Å; L451-F541 HydrophobicContact CG-CE2 4.42Å; L451-L544 HydrophobicContact CD1-CD2 3.98Å; L451-V570 HydrophobicContact CD1-CG1 3.92Å; L451-Y572 HydrophobicContact CD1-CD1 3.88Å
452	V	97.6	Very high	91.5	Very high	51 Å²	51	55.4 Å²	55.4	31%	0.309	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111	169.3	-179.6	0	0	0	0	107.4	Q450 S571	Q450-V452 HydrophobicContact CG-CG2 4.27Å; Q450-V452 PolarHBondContact O-N 3.19Å; V452-S571 PolarHBondContact N-O 3.45Å; V452-S571 PolarHBondContact O-N 3.39Å
453	L	98.4	Very high	91.6	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.7	-176.5	176	73.5	0	0	0	109.6	L451 V455 V476 D505 M506 F508 F520 V568 L569 V570	L451-L453 HydrophobicContact CG-CB 4.33Å; L453-V455 HydrophobicContact CD2-CG2 4.32Å; L453-V455 HydrophobicContact CG-CG2 4.48Å; L453-V476 HydrophobicContact CD2-CB 4.2Å; L453-V476 HydrophobicContact CD2-CG1 3.68Å; L453-V476 HydrophobicContact CD2-CG2 3.82Å; L453-D505 CarbonylContact O-C 3.57Å; L453-M506 HydrophobicContact CB-CB 4.44Å; L453-M506 PolarHBondContact N-O 3.42Å; L453-M506 WeakPolarHBondContact O-CA 3.49Å; L453-M506 PolarHBondContact O-N 2.88Å; L453-F508 HydrophobicContact CB-CE2 4.49Å; L453-F508 HydrophobicContact CD2-CE2 4.23Å; L453-F520 HydrophobicContact CD1-CE1 4.2Å; L453-F520 HydrophobicContact CD1-CZ 4.27Å; L453-F520 HydrophobicContact CD2-CE1 3.84Å; L453-F520 HydrophobicContact CD2-CZ 4.23Å; L453-V568 HydrophobicContact CD1-CB 4.05Å; L453-V568 HydrophobicContact CD1-CG2 4.42Å; L453-L569 CarbonylContact C-O 3.54Å; L453-L569 WeakPolarHBondContact CA-O 3.48Å; L453-V570 HydrophobicContact CD1-CG2 3.73Å
454	K	98.6	Very high	91.5	Very high	57 Å²	57	60.4 Å²	60.4	25%	0.248	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.6	167.7	-169.6	172.7	-174.6	155.9	0	110.1	I456 D503 T504 D505 V568 L569	K454-I456 HydrophobicContact CB-CG1 4.4Å; K454-I456 HydrophobicContact CD-CG1 4.18Å; K454-I456 HydrophobicContact CG-CG1 3.95Å; K454-D503 WeakPolarHBondContact CE-OD1 2.92Å; K454-D503 IonicContact NZ-OD1 3.4Å; K454-T504 WeakPolarHBondContact CA-O 3.47Å; K454-D505 WeakPolarHBondContact CB-OD1 3.43Å; K454-D505 WeakPolarHBondContact CD-OD1 3.39Å; K454-D505 WeakPolarHBondContact CG-OD1 3.47Å; K454-V568 CarbonylContact O-C 3.44Å; K454-V568 WeakPolarHBondContact O-CA 3.49Å; K454-V568 WeakPolarHBondContact O-CB 3.4Å; K454-L569 HydrophobicContact CB-CB 4.13Å; K454-L569 PolarHBondContact N-O 3.29Å; K454-L569 PolarHBondContact O-N 3.27Å
455	V	98.7	Very high	91	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	105.6	169.4	-177.5	0	0	0	0	107.8	L453 V474 V476 T490 W502 D503 T504 M506	L453-V455 HydrophobicContact CD2-CG2 4.32Å; L453-V455 HydrophobicContact CG-CG2 4.48Å; V455-V474 HydrophobicContact CG1-CB 4Å; V455-V474 HydrophobicContact CG1-CG1 4.16Å; V455-V474 HydrophobicContact CG1-CG2 3.92Å; V455-V476 HydrophobicContact CG2-CG2 3.9Å; V455-T490 HydrophobicContact CB-CG2 3.97Å; V455-T490 HydrophobicContact CG1-CG2 3.97Å; V455-T490 HydrophobicContact CG2-CG2 4.47Å; V455-W502 HydrophobicContact CG1-CE3 4.03Å; V455-D503 WeakPolarHBondContact O-CA 3.44Å; V455-D503 PolarHBondContact O-N 3.25Å; V455-D503 VanDerWaalsContact O-N 3.13Å; V455-T504 PolarHBondContact N-O 3.44Å; V455-T504 PolarHBondContact O-N 3.09Å; V455-M506 HydrophobicContact CB-CE 4.46Å; V455-M506 HydrophobicContact CG2-CE 3.89Å; V455-M506 HydrophobicContact CG2-SD 4.23Å
456	I	98.4	Very high	90.3	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-62.9	-168.3	-59.4	166.7	0	0	0	110.1	E16 K454 W502 D503 Y548 F567 L569	E16-I456 HydrophobicContact CB-CG2 4.09Å; E16-I456 HydrophobicContact CG-CG2 4.05Å; K454-I456 HydrophobicContact CB-CG1 4.4Å; K454-I456 HydrophobicContact CD-CG1 4.18Å; K454-I456 HydrophobicContact CG-CG1 3.95Å; I456-W502 PolarHBondContact O-N 3.26Å; I456-D503 PolarHBondContact O-N 3Å; I456-D503 VanDerWaalsContact O-N 3.08Å; I456-Y548 HydrophobicContact CD1-CD1 3.82Å; I456-Y548 HydrophobicContact CD1-CE1 3.71Å; I456-F567 HydrophobicContact CB-CD1 4.12Å; I456-F567 WeakPolarHBondContact CB-O 3.39Å; I456-F567 HydrophobicContact CD1-CD1 3.74Å; I456-F567 HydrophobicContact CD1-CE1 3.91Å; I456-F567 HydrophobicContact CG2-CD1 4.16Å; I456-F567 PolarHBondContact N-O 3.22Å; I456-L569 HydrophobicContact CD1-CB 4.17Å
457	S	97.5	Very high	89.6	Confident	5 Å²	5	57.5 Å²	57.5	4%	0.035	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	169	-172	58.9	0	0	0	0	111.7	E16 P500 W502 L566 F567	E16-S457 PolarHBondContact OE1-OG 3.13Å; S457-P500 CarbonylContact C-O 3.54Å; S457-P500 WeakPolarHBondContact CA-O 3.29Å; S457-P500 WeakPolarHBondContact CB-O 3.18Å; S457-W502 VanDerWaalsContact C-CZ3 3.44Å; S457-L566 CarbonylContact O-C 3.58Å; S457-L566 WeakPolarHBondContact O-CA 3.21Å; S457-F567 PolarHBondContact N-O 3.32Å; S457-F567 PolarHBondContact O-N 3.43Å; S457-F567 WeakPolarHBondContact OG-CB 3.17Å
458	G	96.2	Very high	88.9	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	161.8	169.4	0	0	0	0	0	110.2	T499 P500 W502 S565	G458-T499 WeakPolarHBondContact O-CA 3.36Å; G458-P500 PolarHBondContact N-O 3.23Å; G458-P500 WeakPolarHBondContact O-CD 3.43Å; G458-W502 VanDerWaalsContact N-CZ3 3.28Å; G458-S565 CarbonylContact C-O 3.56Å; G458-S565 VanDerWaalsContact CA-O 3.32Å; G458-S565 WeakPolarHBondContact CA-O 3.44Å
459	S	93.6	Very high	88.4	Confident	7 Å²	7	55 Å²	55	5%	0.049	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.5	178.5	-58.5	0	0	0	0	110.2	L461 M498 A564 S565	S459-L461 PolarHBondContact O-N 3.25Å; S459-M498 CarbonylContact C-O 3.58Å; S459-M498 WeakPolarHBondContact CA-O 3.43Å; S459-A564 VanDerWaalsContact O-CA 3.31Å; S459-A564 WeakPolarHBondContact O-CA 3.36Å; S459-S565 PolarHBondContact N-O 2.87Å; S459-S565 PolarHBondContact O-N 2.97Å
460	N	92.4	Very high	88.2	Confident	71 Å²	71	52.5 Å²	52.5	38%	0.38	28%	0.278	S	S	.	.	S	Bend	trans	53	42.5	171	-59.3	84.4	0	0	0	114.8	M498 P563 A564	N460-M498 PolarHBondContact N-O 2.79Å; N460-P563 HydrophobicContact CB-CG 3.91Å; N460-A564 WeakPolarHBondContact O-CB 3.43Å
461	L	94.4	Very high	88.2	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.026	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-66	131	-179.4	-56.5	-178.4	0	0	0	111	S459 V463 L470 P472 S497 P500 W502 V522 V534 L553	S459-L461 PolarHBondContact O-N 3.25Å; L461-V463 PolarHBondContact O-N 3.07Å; L461-L470 HydrophobicContact CB-CD1 3.85Å; L461-P472 HydrophobicContact CD1-CB 3.65Å; L461-P472 HydrophobicContact CD1-CG 3.87Å; L461-S497 VanDerWaalsContact CB-O 3.28Å; L461-S497 WeakPolarHBondContact CB-O 3.35Å; L461-S497 PolarHBondContact N-O 3.18Å; L461-P500 HydrophobicContact CD1-CG 3.71Å; L461-P500 HydrophobicContact CG-CG 4.38Å; L461-W502 HydrophobicContact CD1-CH2 4.33Å; L461-V522 HydrophobicContact CD1-CG1 3.83Å; L461-V522 HydrophobicContact CD2-CG1 4.19Å; L461-V522 HydrophobicContact CD2-CG2 4.48Å; L461-V534 HydrophobicContact CB-CG1 4.37Å; L461-L553 HydrophobicContact CD2-CD1 3.52Å
462	P	91.3	Very high	88.1	Confident	49 Å²	49	48.5 Å²	48.5	32%	0.318	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-69.7	123.5	-174.8	27.2	-34.7	0	0	0	111.4	V534 L561	P462-V534 HydrophobicContact CG-CG1 3.89Å; P462-L561 HydrophobicContact CG-CD1 4.04Å; P462-L561 HydrophobicContact CG-CD2 4.31Å
463	V	84.3	Confident	88.2	Confident	58 Å²	58	46.6 Å²	46.6	35%	0.352	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-85.7	134.7	176.5	-166.5	0	0	0	0	109.8	L461 R467 L470 S497	L461-V463 PolarHBondContact O-N 3.07Å; V463-R467 WeakPolarHBondContact CG1-O 3.4Å; V463-L470 HydrophobicContact CG1-CD2 4.19Å; V463-L470 HydrophobicContact CG1-CG 4.39Å; V463-L470 HydrophobicContact CG2-CG 4.23Å; V463-S497 WeakPolarHBondContact CG2-OG 3.47Å
464	V	71.5	Confident	88.2	Confident	76 Å²	76	46.6 Å²	46.6	46%	0.461	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-72.8	137.4	173.3	-174.5	0	0	0	0	109.1	S466 R467	V464-S466 PolarHBondContact O-N 2.85Å; V464-R467 PolarHBondContact O-N 2.86Å
465	K	65.1	Low	88.2	Confident	218 Å²	218	47.4 Å²	47.4	95%	0.948	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-19.4	-173.5	-67.6	-173.8	177.7	-176.9	0	116.1
466	S	65.6	Low	88.2	Confident	103 Å²	103	47.4 Å²	47.4	72%	0.72	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.1	-179.6	54.1	0	0	0	0	114.7	V464	V464-S466 PolarHBondContact O-N 2.85Å
467	R	68.4	Low	88.2	Confident	82 Å²	82	48 Å²	48	31%	0.309	25%	0.252	S	S	.	.			trans	-128.3	151.8	178.5	-61.6	-176.4	92.1	-166.4	2.2	110.5	V463 V464 D471 D524	V463-R467 WeakPolarHBondContact CG1-O 3.4Å; V464-R467 PolarHBondContact O-N 2.86Å; R467-D471 IonicContact CZ-OD2 3.19Å; R467-D471 IonicContact NH1-OD2 3.78Å; R467-D471 IonicContact NH2-OD2 3.02Å; R467-D471 PolarHBondContact NH2-OD2 3.32Å; R467-D524 IonicContact NH1-OD1 3.17Å; R467-D524 PolarHBondContact NH1-OD1 3.47Å; R467-D524 IonicContact NH1-OD2 2.79Å; R467-D524 PolarHBondContact NH1-OD2 2.82Å
468	N	73.6	Confident	88.3	Confident	160 Å²	160	48 Å²	48	86%	0.856	25%	0.251	S	S	*	.	S	Bend	trans	-84.3	-25	176	-67.7	-16.7	0	0	0	112.5
469	T	82.4	Confident	88.4	Confident	46 Å²	46	49 Å²	49	28%	0.282	26%	0.255	S	S	.	.	S	Bend	trans	-145.6	159.4	-177.8	52.3	0	0	0	0	111	N495	T469-N495 HydrophobicContact CG2-CB 4.47Å; T469-N495 PolarHBondContact OG1-OD1 3.07Å
470	L	90.6	Very high	88.5	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.255	C	S	.	.			trans	-102.3	155.7	172.8	-58.2	175.1	0	0	0	110.7	L461 V463 P472 N495 N496 D524 V534	L461-L470 HydrophobicContact CB-CD1 3.85Å; V463-L470 HydrophobicContact CG1-CD2 4.19Å; V463-L470 HydrophobicContact CG1-CG 4.39Å; V463-L470 HydrophobicContact CG2-CG 4.23Å; L470-P472 WeakPolarHBondContact O-CD 3.07Å; L470-N495 CarbonylContact O-C 3.54Å; L470-N495 VanDerWaalsContact O-CA 3.24Å; L470-N495 WeakPolarHBondContact O-CA 3.36Å; L470-N495 PolarHBondContact O-N 2.83Å; L470-N495 VanDerWaalsContact O-N 3.13Å; L470-N496 PolarHBondContact O-N 3.31Å; L470-D524 HydrophobicContact CD2-CB 4Å; L470-D524 WeakPolarHBondContact CD2-OD2 3.22Å; L470-V534 HydrophobicContact CD1-CG1 4.1Å; L470-V534 HydrophobicContact CD1-CG2 4.18Å
471	D	95.2	Very high	88.7	Confident	23 Å²	23	45.4 Å²	45.4	12%	0.123	24%	0.236	C	C	.	.			trans	-107.4	71.7	164.6	-60.6	-48.5	0	0	0	109.4	R467 T492 V493 K494 N495 D524 Q525	R467-D471 IonicContact CZ-OD2 3.19Å; R467-D471 IonicContact NH1-OD2 3.78Å; R467-D471 IonicContact NH2-OD2 3.02Å; R467-D471 PolarHBondContact NH2-OD2 3.32Å; D471-T492 HydrophobicContact CB-CG2 3.88Å; D471-T492 VanDerWaalsContact O-CG2 3.31Å; D471-T492 WeakPolarHBondContact O-CG2 3.5Å; D471-V493 CarbonylContact C-O 3.51Å; D471-V493 VanDerWaalsContact C-O 3.23Å; D471-V493 WeakPolarHBondContact CA-O 3.43Å; D471-K494 VanDerWaalsContact OD1-CA 3.24Å; D471-K494 WeakPolarHBondContact OD1-CA 3.29Å; D471-N495 PolarHBondContact OD1-N 3.15Å; D471-D524 WeakPolarHBondContact CA-OD1 3.31Å; D471-D524 PolarHBondContact N-OD1 2.99Å; D471-Q525 HydrophobicContact CB-CB 4.17Å; D471-Q525 WeakPolarHBondContact O-CB 3.43Å; D471-Q525 PolarHBondContact O-N 3.24Å
472	P	96.9	Very high	88.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	146.9	-165.8	34.8	-40.3	0	0	0	114	L461 L470 V493 N496 P500 W502 V522 R523	L461-P472 HydrophobicContact CD1-CB 3.65Å; L461-P472 HydrophobicContact CD1-CG 3.87Å; L470-P472 WeakPolarHBondContact O-CD 3.07Å; P472-V493 WeakPolarHBondContact CD-O 3.12Å; P472-V493 PolarHBondContact O-N 3.38Å; P472-N496 WeakPolarHBondContact CD-O 3.35Å; P472-N496 WeakPolarHBondContact CG-O 3.25Å; P472-P500 HydrophobicContact CG-CB 3.81Å; P472-P500 HydrophobicContact CG-CG 3.99Å; P472-W502 HydrophobicContact CB-CZ2 3.92Å; P472-W502 HydrophobicContact CG-CZ2 3.95Å; P472-W502 PolarHBondContact O-NE1 3.03Å; P472-W502 VanDerWaalsContact O-NE1 3.14Å; P472-V522 HydrophobicContact CB-CG1 4.29Å; P472-R523 CarbonylContact C-O 3.51Å; P472-R523 VanDerWaalsContact CA-O 3.27Å; P472-R523 WeakPolarHBondContact CA-O 3.3Å
473	F	98.3	Very high	88.7	Confident	12 Å²	12	52.3 Å²	52.3	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	157.4	162.1	71.5	-84.2	0	0	0	110.2	R523 Q525	F473-R523 HydrophobicContact CD1-CB 4.14Å; F473-R523 HydrophobicContact CE1-CB 3.57Å; F473-R523 HydrophobicContact CE2-CB 4.13Å; F473-R523 HydrophobicContact CE2-CG 4.45Å; F473-R523 HydrophobicContact CZ-CB 3.57Å; F473-R523 HydrophobicContact CZ-CG 4.16Å; F473-R523 PolarHBondContact N-O 3.29Å; F473-R523 PolarHBondContact O-N 3.45Å; F473-Q525 HydrophobicContact CD1-CB 4.37Å; F473-Q525 HydrophobicContact CE1-CB 4.46Å
474	V	98.8	Very high	89.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.7	178.2	-175.5	0	0	0	0	109.3	V455 V476 S489 T490 W502 V522 L566	V455-V474 HydrophobicContact CG1-CB 4Å; V455-V474 HydrophobicContact CG1-CG1 4.16Å; V455-V474 HydrophobicContact CG1-CG2 3.92Å; V474-V476 HydrophobicContact CG1-CG2 4.23Å; V474-S489 CarbonylContact O-C 3.51Å; V474-S489 VanDerWaalsContact O-CA 3.26Å; V474-S489 WeakPolarHBondContact O-CA 3.32Å; V474-T490 HydrophobicContact CB-CG2 3.93Å; V474-T490 PolarHBondContact N-OG1 3.49Å; V474-T490 PolarHBondContact O-N 2.89Å; V474-W502 HydrophobicContact CG2-CD2 4.15Å; V474-W502 HydrophobicContact CG2-CE3 3.91Å; V474-W502 HydrophobicContact CG2-CH2 3.58Å; V474-W502 HydrophobicContact CG2-CZ2 3.84Å; V474-W502 HydrophobicContact CG2-CZ3 3.6Å; V474-V522 HydrophobicContact CG2-CG2 4.35Å; V474-L566 HydrophobicContact CG1-CD1 3.76Å; V474-L566 HydrophobicContact CG2-CD1 4.15Å; V474-L566 HydrophobicContact CG2-CD2 3.74Å
475	R	98.7	Very high	90.5	Very high	73 Å²	73	48.4 Å²	48.4	28%	0.275	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.2	167.3	-176.1	-177.4	-66.2	175.5	-0.2	109.4	E477 K488 C521	R475-E477 WeakPolarHBondContact CD-OE1 3.29Å; R475-E477 HydrophobicContact CG-CG 3.81Å; R475-E477 IonicContact NH1-OE1 3.48Å; R475-K488 CarbonylContact C-O 3.55Å; R475-K488 WeakPolarHBondContact CA-O 3.11Å; R475-C521 HydrophobicContact CB-CB 4.45Å; R475-C521 PolarHBondContact N-O 2.82Å; R475-C521 PolarHBondContact O-N 3.48Å
476	V	98.8	Very high	92	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.3	172.1	-177.1	0	0	0	0	108.6	L453 V455 V474 S487 K488 M506 F508 I518 R519 F520	L453-V476 HydrophobicContact CD2-CB 4.2Å; L453-V476 HydrophobicContact CD2-CG1 3.68Å; L453-V476 HydrophobicContact CD2-CG2 3.82Å; V455-V476 HydrophobicContact CG2-CG2 3.9Å; V474-V476 HydrophobicContact CG1-CG2 4.23Å; V476-S487 CarbonylContact O-C 3.57Å; V476-S487 VanDerWaalsContact O-CA 3.29Å; V476-S487 WeakPolarHBondContact O-CA 3.08Å; V476-K488 PolarHBondContact N-O 3.14Å; V476-K488 PolarHBondContact O-N 2.97Å; V476-M506 HydrophobicContact CB-SD 3.89Å; V476-M506 HydrophobicContact CG2-CE 4.35Å; V476-M506 HydrophobicContact CG2-SD 3.75Å; V476-F508 HydrophobicContact CB-CZ 4.02Å; V476-F508 HydrophobicContact CG1-CE2 4.09Å; V476-F508 HydrophobicContact CG1-CZ 3.85Å; V476-I518 HydrophobicContact CG1-CD1 4.05Å; V476-I518 HydrophobicContact CG1-CG1 4.07Å; V476-R519 CarbonylContact C-O 3.58Å; V476-R519 WeakPolarHBondContact CA-O 3.46Å; V476-F520 HydrophobicContact CG1-CE1 4.48Å; V476-F520 HydrophobicContact CG2-CD1 3.83Å; V476-F520 HydrophobicContact CG2-CE1 4.07Å
477	E	98.8	Very high	93.5	Very high	20 Å²	20	41 Å²	41	9%	0.093	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.5	-174.5	-51.3	172	159.1	0	0	109.5	R475 H479 R486 I518 R519	R475-E477 WeakPolarHBondContact CD-OE1 3.29Å; R475-E477 HydrophobicContact CG-CG 3.81Å; R475-E477 IonicContact NH1-OE1 3.48Å; E477-H479 WeakPolarHBondContact CB-NE2 3.38Å; E477-H479 IonicContact OE2-CE1 3.81Å; E477-H479 IonicContact OE2-NE2 2.75Å; E477-H479 PolarHBondContact OE2-NE2 3.3Å; E477-R486 WeakPolarHBondContact CA-O 3.48Å; E477-I518 WeakPolarHBondContact O-CA 3.42Å; E477-R519 HydrophobicContact CB-CB 4.33Å; E477-R519 PolarHBondContact N-O 2.79Å; E477-R519 PolarHBondContact O-N 2.97Å; E477-R519 IonicContact OE1-NH1 2.78Å; E477-R519 WeakPolarHBondContact OE2-CD 3.49Å; E477-R519 IonicContact OE2-CZ 2.68Å; E477-R519 IonicContact OE2-NH1 3.67Å; E477-R519 PolarHBondContact OE2-NH1 2.59Å
478	I	98.7	Very high	95	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.3	166.8	-54.2	-58.5	0	0	0	107.1	L451 S485 R486 F508 I510 C516 L517 I518	L451-I478 HydrophobicContact CD2-CD1 4.27Å; I478-S485 VanDerWaalsContact O-CA 3.26Å; I478-S485 WeakPolarHBondContact O-CA 2.86Å; I478-R486 HydrophobicContact CB-CG 4.12Å; I478-R486 HydrophobicContact CG1-CG 4.2Å; I478-R486 PolarHBondContact N-O 2.88Å; I478-R486 PolarHBondContact O-N 2.79Å; I478-R486 VanDerWaalsContact O-N 3.11Å; I478-F508 HydrophobicContact CG1-CB 4.31Å; I478-F508 HydrophobicContact CG1-CD1 3.75Å; I478-F508 HydrophobicContact CG1-CE1 4.18Å; I478-F508 HydrophobicContact CG1-CG 4.04Å; I478-I510 HydrophobicContact CD1-CD1 4.11Å; I478-I510 HydrophobicContact CG1-CD1 4.37Å; I478-I510 HydrophobicContact CG2-CD1 4.44Å; I478-I510 HydrophobicContact CG2-CG1 4.49Å; I478-C516 HydrophobicContact CG2-CB 4.11Å; I478-L517 WeakPolarHBondContact CA-O 3.49Å; I478-I518 HydrophobicContact CD1-CB 4.05Å; I478-I518 HydrophobicContact CD1-CD1 4.09Å; I478-I518 HydrophobicContact CD1-CG1 3.9Å
479	H	98.7	Very high	96.1	Very high	21 Å²	21	36.3 Å²	36.3	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.2	177.1	-66.7	-94.3	0	0	0	108.5	Q387 L410 E477 C516 L517	Q387-H479 HydrophobicContact CG-CB 4.38Å; L410-H479 HydrophobicContact CD1-CB 4.42Å; L410-H479 HydrophobicContact CD2-CB 4.14Å; E477-H479 WeakPolarHBondContact CB-NE2 3.38Å; E477-H479 IonicContact OE2-CE1 3.81Å; E477-H479 IonicContact OE2-NE2 2.75Å; E477-H479 PolarHBondContact OE2-NE2 3.3Å; H479-C516 CarbonylContact O-C 3.55Å; H479-C516 VanDerWaalsContact O-CA 3.3Å; H479-C516 WeakPolarHBondContact O-CA 2.98Å; H479-L517 HydrophobicContact CB-CB 4.37Å; H479-L517 PolarHBondContact N-O 2.93Å; H479-L517 PolarHBondContact O-N 3.26Å
480	G	97.1	Very high	96.9	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	19%	0.19	C	C	.	.	S	Bend	trans	-159.1	-141.8	-178.5	0	0	0	0	0	110.5	N391 S485	N391-G480 PolarHBondContact ND2-O 2.93Å; N391-G480 VanDerWaalsContact OD1-C 3.25Å; N391-G480 PolarHBondContact OD1-O 3.4Å; G480-S485 PolarHBondContact N-OG 3.17Å; G480-S485 VanDerWaalsContact N-OG 3.12Å; G480-S485 PolarHBondContact O-OG 3.22Å
481	I	95.1	Very high	97.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-60.8	159.5	165.7	62.7	169.3	0	0	0	110.4	N391 F437 P439 C443 F483 D484 S485 V512 L515	N391-I481 HydrophobicContact CB-CG2 4.34Å; N391-I481 PolarHBondContact OD1-N 2.84Å; F437-I481 HydrophobicContact CZ-CG2 4.43Å; P439-I481 HydrophobicContact CB-CB 4.37Å; P439-I481 HydrophobicContact CB-CG2 3.87Å; C443-I481 HydrophobicContact CB-CD1 3.92Å; I481-F483 HydrophobicContact CD1-CB 4.04Å; I481-F483 HydrophobicContact CG1-CB 4.29Å; I481-F483 PolarHBondContact O-N 3.33Å; I481-F483 VanDerWaalsContact O-N 3.16Å; I481-D484 HydrophobicContact CG1-CB 4.05Å; I481-D484 PolarHBondContact O-N 3.37Å; I481-S485 PolarHBondContact O-N 3.43Å; I481-S485 PolarHBondContact O-OG 3.06Å; I481-V512 HydrophobicContact CD1-CB 4.45Å; I481-V512 HydrophobicContact CD1-CG2 3.76Å; I481-L515 HydrophobicContact CG2-CD1 3.91Å
482	A	93.5	Very high	97.4	Very high	92 Å²	92	41 Å²	41	76%	0.76	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.9	-178	0	0	0	0	0	112.3
483	F	93.2	Very high	97.4	Very high	108 Å²	108	42 Å²	42	47%	0.474	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-37.7	177.7	-168.5	-93	0	0	0	112.5	C443 I481 R486 T511	C443-F483 HydrophobicContact CB-CB 4.35Å; C443-F483 HydrophobicContact CB-CD1 4.25Å; C443-F483 HydrophobicContact CB-CG 4.26Å; I481-F483 HydrophobicContact CD1-CB 4.04Å; I481-F483 HydrophobicContact CG1-CB 4.29Å; I481-F483 PolarHBondContact O-N 3.33Å; I481-F483 VanDerWaalsContact O-N 3.16Å; F483-R486 PolarHBondContact O-NH2 3.34Å; F483-T511 WeakPolarHBondContact CD1-OG1 3.33Å; F483-T511 VanDerWaalsContact CE1-OG1 3.26Å; F483-T511 WeakPolarHBondContact CE1-OG1 3.09Å
484	D	95.9	Very high	97.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-21.7	-178.3	-69.3	-22.6	0	0	0	113.1	I481 R486 T511 V512	I481-D484 HydrophobicContact CG1-CB 4.05Å; I481-D484 PolarHBondContact O-N 3.37Å; D484-R486 WeakPolarHBondContact O-CD 3.36Å; D484-R486 WeakPolarHBondContact O-CG 3.16Å; D484-R486 PolarHBondContact O-N 3.24Å; D484-R486 PolarHBondContact O-NE 3.15Å; D484-T511 VanDerWaalsContact CG-N 3.26Å; D484-T511 VanDerWaalsContact OD1-CB 3.3Å; D484-T511 WeakPolarHBondContact OD1-CB 3.4Å; D484-T511 PolarHBondContact OD1-N 3.1Å; D484-T511 PolarHBondContact OD1-OG1 3.33Å; D484-T511 PolarHBondContact OD2-N 2.79Å; D484-V512 PolarHBondContact OD2-N 3.05Å
485	S	96.9	Very high	96.9	Very high	51 Å²	51	54.2 Å²	54.2	36%	0.357	29%	0.286	S	S	.	.			trans	-68.8	124.4	-173.6	-62.1	0	0	0	0	112.6	I478 G480 I481	I478-S485 VanDerWaalsContact O-CA 3.26Å; I478-S485 WeakPolarHBondContact O-CA 2.86Å; G480-S485 PolarHBondContact N-OG 3.17Å; G480-S485 VanDerWaalsContact N-OG 3.12Å; G480-S485 PolarHBondContact O-OG 3.22Å; I481-S485 PolarHBondContact O-N 3.43Å; I481-S485 PolarHBondContact O-OG 3.06Å
486	R	97.1	Very high	96.4	Very high	93 Å²	93	53 Å²	53	35%	0.351	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	159.4	-174	58.9	-162.4	66	-138.7	4	111.4	E477 I478 F483 D484 F508	E477-R486 WeakPolarHBondContact CA-O 3.48Å; I478-R486 HydrophobicContact CB-CG 4.12Å; I478-R486 HydrophobicContact CG1-CG 4.2Å; I478-R486 PolarHBondContact N-O 2.88Å; I478-R486 PolarHBondContact O-N 2.79Å; I478-R486 VanDerWaalsContact O-N 3.11Å; F483-R486 PolarHBondContact O-NH2 3.34Å; D484-R486 WeakPolarHBondContact O-CD 3.36Å; D484-R486 WeakPolarHBondContact O-CG 3.16Å; D484-R486 PolarHBondContact O-N 3.24Å; D484-R486 PolarHBondContact O-NE 3.15Å; R486-F508 HydrophobicContact CG-CD1 3.66Å; R486-F508 HydrophobicContact CG-CE1 4.17Å
487	S	97.7	Very high	95.9	Very high	72 Å²	72	53.5 Å²	53.5	50%	0.503	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.4	176.5	63.6	0	0	0	0	111.8	V476	V476-S487 CarbonylContact O-C 3.57Å; V476-S487 VanDerWaalsContact O-CA 3.29Å; V476-S487 WeakPolarHBondContact O-CA 3.08Å
488	K	98.5	Very high	95.4	Very high	89 Å²	89	57 Å²	57	39%	0.387	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.8	170.1	-69.1	-175.7	171	-172.1	0	109.5	R475 V476 M506 N507 F508	R475-K488 CarbonylContact C-O 3.55Å; R475-K488 WeakPolarHBondContact CA-O 3.11Å; V476-K488 PolarHBondContact N-O 3.14Å; V476-K488 PolarHBondContact O-N 2.97Å; K488-M506 HydrophobicContact CB-CG 4.28Å; K488-M506 HydrophobicContact CB-SD 3.74Å; K488-M506 HydrophobicContact CD-CB 4.12Å; K488-N507 VanDerWaalsContact CE-O 3.29Å; K488-N507 WeakPolarHBondContact CE-O 3.35Å; K488-N507 PolarHBondContact NZ-O 2.86Å; K488-F508 HydrophobicContact CB-CE1 4.15Å; K488-F508 HydrophobicContact CB-CZ 3.95Å; K488-F508 HydrophobicContact CD-CE1 3.97Å; K488-F508 HydrophobicContact CD-CZ 4.03Å; K488-F508 HydrophobicContact CG-CE1 3.86Å; K488-F508 HydrophobicContact CG-CZ 4.08Å
489	S	98.5	Very high	95.1	Very high	56 Å²	56	60 Å²	60	39%	0.392	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.9	178.8	-56.5	0	0	0	0	110.4	V474	V474-S489 CarbonylContact O-C 3.51Å; V474-S489 VanDerWaalsContact O-CA 3.26Å; V474-S489 WeakPolarHBondContact O-CA 3.32Å
490	T	98.8	Very high	94.9	Very high	11 Å²	11	59 Å²	59	7%	0.067	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-70.4	170.6	167.6	67.2	0	0	0	0	110.4	V455 V474 W502 T504 M506	V455-T490 HydrophobicContact CB-CG2 3.97Å; V455-T490 HydrophobicContact CG1-CG2 3.97Å; V455-T490 HydrophobicContact CG2-CG2 4.47Å; V474-T490 HydrophobicContact CB-CG2 3.93Å; V474-T490 PolarHBondContact N-OG1 3.49Å; V474-T490 PolarHBondContact O-N 2.89Å; T490-W502 HydrophobicContact CG2-CB 3.94Å; T490-W502 HydrophobicContact CG2-CG 3.98Å; T490-W502 VanDerWaalsContact OG1-CD1 3.26Å; T490-W502 PolarHBondContact OG1-NE1 2.89Å; T490-T504 HydrophobicContact CG2-CG2 4.3Å; T490-M506 HydrophobicContact CG2-CE 3.4Å
491	H	97.7	Very high	94.8	Very high	102 Å²	102	64.2 Å²	64.2	47%	0.472	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-67.2	163.8	160.4	66.3	-91.2	0	0	0	110.8	W502	H491-W502 PolarHBondContact CE1-O 3.34Å; H491-W502 PolarHBondContact O-NE1 2.99Å
492	T	97.8	Very high	95	Very high	54 Å²	54	64.5 Å²	64.5	33%	0.331	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-85.5	131.9	175.2	-57.8	0	0	0	0	110.7	D471 Q525	D471-T492 HydrophobicContact CB-CG2 3.88Å; D471-T492 VanDerWaalsContact O-CG2 3.31Å; D471-T492 WeakPolarHBondContact O-CG2 3.5Å; T492-Q525 HydrophobicContact CG2-CB 3.82Å; T492-Q525 HydrophobicContact CG2-CG 4.47Å
493	V	96.7	Very high	95.2	Very high	23 Å²	23	62.8 Å²	62.8	14%	0.139	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-94.8	130.7	168.5	176.1	0	0	0	0	107.6	D471 P472 N496 P500 R501 W502	D471-V493 CarbonylContact C-O 3.51Å; D471-V493 VanDerWaalsContact C-O 3.23Å; D471-V493 WeakPolarHBondContact CA-O 3.43Å; P472-V493 WeakPolarHBondContact CD-O 3.12Å; P472-V493 PolarHBondContact O-N 3.38Å; V493-N496 HydrophobicContact CG1-CB 3.85Å; V493-P500 HydrophobicContact CB-CB 4.2Å; V493-P500 HydrophobicContact CG1-CB 4.16Å; V493-P500 HydrophobicContact CG2-CB 4.37Å; V493-R501 VanDerWaalsContact CG2-O 3.29Å; V493-R501 WeakPolarHBondContact CG2-O 3.33Å; V493-W502 HydrophobicContact CG2-CG 4.3Å
494	K	94.9	Very high	95.4	Very high	167 Å²	167	59 Å²	59	73%	0.726	30%	0.304	S	S	*	.	S	Bend	trans	-87.1	140.4	-177.2	-65.7	-173.8	178.3	-178.5	0	112	D471 N496	D471-K494 VanDerWaalsContact OD1-CA 3.24Å; D471-K494 WeakPolarHBondContact OD1-CA 3.29Å; K494-N496 VanDerWaalsContact C-N 3.25Å; K494-N496 PolarHBondContact O-N 2.9Å; K494-N496 VanDerWaalsContact O-N 3.15Å
495	N	91.4	Very high	95.5	Very high	101 Å²	101	64 Å²	64	54%	0.54	33%	0.33	S	S	.	.	S	Bend	trans	49.5	37.7	170.1	-62.5	-47.7	0	0	0	115.3	T469 L470 D471	T469-N495 HydrophobicContact CG2-CB 4.47Å; T469-N495 PolarHBondContact OG1-OD1 3.07Å; L470-N495 CarbonylContact O-C 3.54Å; L470-N495 VanDerWaalsContact O-CA 3.24Å; L470-N495 WeakPolarHBondContact O-CA 3.36Å; L470-N495 PolarHBondContact O-N 2.83Å; L470-N495 VanDerWaalsContact O-N 3.13Å; D471-N495 PolarHBondContact OD1-N 3.15Å
496	N	89.3	Confident	95.6	Very high	47 Å²	47	61.6 Å²	61.6	25%	0.251	31%	0.314	S	S	.	.			trans	-140.7	99.8	-179.1	-173.1	-7.2	0	0	0	111.3	L470 P472 V493 K494 M498 T499	L470-N496 PolarHBondContact O-N 3.31Å; P472-N496 WeakPolarHBondContact CD-O 3.35Å; P472-N496 WeakPolarHBondContact CG-O 3.25Å; V493-N496 HydrophobicContact CG1-CB 3.85Å; K494-N496 VanDerWaalsContact C-N 3.25Å; K494-N496 PolarHBondContact O-N 2.9Å; K494-N496 VanDerWaalsContact O-N 3.15Å; N496-M498 PolarHBondContact OD1-N 3.24Å; N496-T499 PolarHBondContact ND2-O 3.21Å; N496-T499 VanDerWaalsContact ND2-O 3.14Å; N496-T499 PolarHBondContact OD1-N 3.11Å
497	S	87.1	Confident	95.5	Very high	11 Å²	11	60.5 Å²	60.5	8%	0.077	32%	0.315	C	S	.	.	S	Bend	trans	-96.4	-20.5	173.9	49.4	0	0	0	0	113.5	L461 V463	L461-S497 VanDerWaalsContact CB-O 3.28Å; L461-S497 WeakPolarHBondContact CB-O 3.35Å; L461-S497 PolarHBondContact N-O 3.18Å; V463-S497 WeakPolarHBondContact CG2-OG 3.47Å
498	M	89.6	Confident	95.5	Very high	92 Å²	92	57.1 Å²	57.1	45%	0.453	29%	0.291	S	S	.	.	S	Bend	trans	-81	-47.1	-172.5	-70.7	-60.2	-63.6	0	0	112.5	S459 N460 N496	S459-M498 CarbonylContact C-O 3.58Å; S459-M498 WeakPolarHBondContact CA-O 3.43Å; N460-M498 PolarHBondContact N-O 2.79Å; N496-M498 PolarHBondContact OD1-N 3.24Å
499	T	91.7	Very high	95.4	Very high	66 Å²	66	56.8 Å²	56.8	41%	0.405	29%	0.294	S	S	.	.	S	Bend	trans	-146.1	55.6	-175.9	58.7	0	0	0	0	111.6	G458 N496	G458-T499 WeakPolarHBondContact O-CA 3.36Å; N496-T499 PolarHBondContact ND2-O 3.21Å; N496-T499 VanDerWaalsContact ND2-O 3.14Å; N496-T499 PolarHBondContact OD1-N 3.11Å
500	P	94.7	Very high	95.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.			trans	-62.9	144.2	176.3	27.5	-35.4	0	0	0	111	S457 G458 L461 P472 V493 W502	S457-P500 CarbonylContact C-O 3.54Å; S457-P500 WeakPolarHBondContact CA-O 3.29Å; S457-P500 WeakPolarHBondContact CB-O 3.18Å; G458-P500 PolarHBondContact N-O 3.23Å; G458-P500 WeakPolarHBondContact O-CD 3.43Å; L461-P500 HydrophobicContact CD1-CG 3.71Å; L461-P500 HydrophobicContact CG-CG 4.38Å; P472-P500 HydrophobicContact CG-CB 3.81Å; P472-P500 HydrophobicContact CG-CG 3.99Å; V493-P500 HydrophobicContact CB-CB 4.2Å; V493-P500 HydrophobicContact CG1-CB 4.16Å; V493-P500 HydrophobicContact CG2-CB 4.37Å; P500-W502 HydrophobicContact CB-CH2 3.8Å; P500-W502 HydrophobicContact CB-CZ2 3.69Å; P500-W502 HydrophobicContact CB-CZ3 4.37Å; P500-W502 HydrophobicContact CG-CH2 3.45Å; P500-W502 VanDerWaalsContact CG-CH2 3.45Å; P500-W502 HydrophobicContact CG-CZ2 3.83Å; P500-W502 HydrophobicContact CG-CZ3 4.08Å
501	R	95.9	Very high	95	Very high	114 Å²	114	54 Å²	54	43%	0.43	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.1	-179.5	-173.4	168.9	175.1	163.8	0.9	109.9	V493 D503	V493-R501 VanDerWaalsContact CG2-O 3.29Å; V493-R501 WeakPolarHBondContact CG2-O 3.33Å; R501-D503 WeakPolarHBondContact CG-OD2 3.27Å; R501-D503 IonicContact CZ-OD2 3.36Å; R501-D503 VanDerWaalsContact CZ-OD2 3.3Å; R501-D503 IonicContact NE-OD1 2.9Å; R501-D503 IonicContact NE-OD2 3.25Å; R501-D503 PolarHBondContact NE-OD2 2.81Å; R501-D503 IonicContact NH2-OD1 3.54Å; R501-D503 IonicContact NH2-OD2 2.73Å; R501-D503 PolarHBondContact NH2-OD2 2.91Å
502	W	97.9	Very high	94.9	Very high	6 Å²	6	49.1 Å²	49.1	2%	0.023	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-30.5	-174.7	-62.6	-75.4	0	0	0	114.1	V455 I456 S457 G458 L461 P472 V474 T490 H491 V493 P500 T504 L566	V455-W502 HydrophobicContact CG1-CE3 4.03Å; I456-W502 PolarHBondContact O-N 3.26Å; S457-W502 VanDerWaalsContact C-CZ3 3.44Å; G458-W502 VanDerWaalsContact N-CZ3 3.28Å; L461-W502 HydrophobicContact CD1-CH2 4.33Å; P472-W502 HydrophobicContact CB-CZ2 3.92Å; P472-W502 HydrophobicContact CG-CZ2 3.95Å; P472-W502 PolarHBondContact O-NE1 3.03Å; P472-W502 VanDerWaalsContact O-NE1 3.14Å; V474-W502 HydrophobicContact CG2-CD2 4.15Å; V474-W502 HydrophobicContact CG2-CE3 3.91Å; V474-W502 HydrophobicContact CG2-CH2 3.58Å; V474-W502 HydrophobicContact CG2-CZ2 3.84Å; V474-W502 HydrophobicContact CG2-CZ3 3.6Å; T490-W502 HydrophobicContact CG2-CB 3.94Å; T490-W502 HydrophobicContact CG2-CG 3.98Å; T490-W502 VanDerWaalsContact OG1-CD1 3.26Å; T490-W502 PolarHBondContact OG1-NE1 2.89Å; H491-W502 PolarHBondContact CE1-O 3.34Å; H491-W502 PolarHBondContact O-NE1 2.99Å; V493-W502 HydrophobicContact CG2-CG 4.3Å; P500-W502 HydrophobicContact CB-CH2 3.8Å; P500-W502 HydrophobicContact CB-CZ2 3.69Å; P500-W502 HydrophobicContact CB-CZ3 4.37Å; P500-W502 HydrophobicContact CG-CH2 3.45Å; P500-W502 VanDerWaalsContact CG-CH2 3.45Å; P500-W502 HydrophobicContact CG-CZ2 3.83Å; P500-W502 HydrophobicContact CG-CZ3 4.08Å; W502-T504 PolarHBondContact O-N 3.49Å; W502-T504 PolarHBondContact O-OG1 3.29Å; W502-L566 HydrophobicContact CH2-CD2 4.06Å; W502-L566 HydrophobicContact CZ3-CD2 3.75Å
503	D	97.6	Very high	94.8	Very high	55 Å²	55	47.4 Å²	47.4	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	40.7	39.3	-177.6	-76	-58.9	0	0	0	114.6	K454 V455 I456 R501	K454-D503 WeakPolarHBondContact CE-OD1 2.92Å; K454-D503 IonicContact NZ-OD1 3.4Å; V455-D503 WeakPolarHBondContact O-CA 3.44Å; V455-D503 PolarHBondContact O-N 3.25Å; V455-D503 VanDerWaalsContact O-N 3.13Å; I456-D503 PolarHBondContact O-N 3Å; I456-D503 VanDerWaalsContact O-N 3.08Å; R501-D503 WeakPolarHBondContact CG-OD2 3.27Å; R501-D503 IonicContact CZ-OD2 3.36Å; R501-D503 VanDerWaalsContact CZ-OD2 3.3Å; R501-D503 IonicContact NE-OD1 2.9Å; R501-D503 IonicContact NE-OD2 3.25Å; R501-D503 PolarHBondContact NE-OD2 2.81Å; R501-D503 IonicContact NH2-OD1 3.54Å; R501-D503 IonicContact NH2-OD2 2.73Å; R501-D503 PolarHBondContact NH2-OD2 2.91Å
504	T	98.6	Very high	94.7	Very high	30 Å²	30	49.4 Å²	49.4	18%	0.184	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121	-171.1	-60.5	0	0	0	0	110.7	K454 V455 T490 W502 M506	K454-T504 WeakPolarHBondContact CA-O 3.47Å; V455-T504 PolarHBondContact N-O 3.44Å; V455-T504 PolarHBondContact O-N 3.09Å; T490-T504 HydrophobicContact CG2-CG2 4.3Å; W502-T504 PolarHBondContact O-N 3.49Å; W502-T504 PolarHBondContact O-OG1 3.29Å; T504-M506 HydrophobicContact CG2-CE 4Å; T504-M506 HydrophobicContact CG2-CG 4.27Å
505	D	98.3	Very high	94.8	Very high	103 Å²	103	41.5 Å²	41.5	55%	0.551	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80	136	173.2	-60.1	-60.6	0	0	0	111.8	L453 K454	L453-D505 CarbonylContact O-C 3.57Å; K454-D505 WeakPolarHBondContact CB-OD1 3.43Å; K454-D505 WeakPolarHBondContact CD-OD1 3.39Å; K454-D505 WeakPolarHBondContact CG-OD1 3.47Å
506	M	97.4	Very high	95.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	113.4	-176.8	-58.1	-167.7	-172.3	0	0	110.2	L453 V455 V476 K488 T490 T504 F508	L453-M506 HydrophobicContact CB-CB 4.44Å; L453-M506 PolarHBondContact N-O 3.42Å; L453-M506 WeakPolarHBondContact O-CA 3.49Å; L453-M506 PolarHBondContact O-N 2.88Å; V455-M506 HydrophobicContact CB-CE 4.46Å; V455-M506 HydrophobicContact CG2-CE 3.89Å; V455-M506 HydrophobicContact CG2-SD 4.23Å; V476-M506 HydrophobicContact CB-SD 3.89Å; V476-M506 HydrophobicContact CG2-CE 4.35Å; V476-M506 HydrophobicContact CG2-SD 3.75Å; K488-M506 HydrophobicContact CB-CG 4.28Å; K488-M506 HydrophobicContact CB-SD 3.74Å; K488-M506 HydrophobicContact CD-CB 4.12Å; T490-M506 HydrophobicContact CG2-CE 3.4Å; T504-M506 HydrophobicContact CG2-CE 4Å; T504-M506 HydrophobicContact CG2-CG 4.27Å; M506-F508 HydrophobicContact CB-CD2 4.47Å; M506-F508 HydrophobicContact CB-CE2 3.6Å; M506-F508 HydrophobicContact CB-CZ 4.03Å; M506-F508 HydrophobicContact SD-CZ 4.28Å
507	N	96.3	Very high	95.5	Very high	69 Å²	69	34.5 Å²	34.5	37%	0.369	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.9	176.7	-60.1	-36.6	0	0	0	112.1	L451 K488	L451-N507 CarbonylContact O-C 3.41Å; L451-N507 VanDerWaalsContact O-CA 3.28Å; L451-N507 WeakPolarHBondContact O-CA 3.28Å; K488-N507 VanDerWaalsContact CE-O 3.29Å; K488-N507 WeakPolarHBondContact CE-O 3.35Å; K488-N507 PolarHBondContact NZ-O 2.86Å
508	F	97.4	Very high	96.1	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.5	177.1	-54.8	-90.7	0	0	0	110.1	Q450 L451 L453 V476 I478 R486 K488 M506 I510	Q450-F508 CarbonylContact C-O 3.51Å; Q450-F508 WeakPolarHBondContact CA-O 3.36Å; L451-F508 HydrophobicContact CB-CB 4.2Å; L451-F508 HydrophobicContact CD2-CB 4.41Å; L451-F508 HydrophobicContact CD2-CD2 3.73Å; L451-F508 HydrophobicContact CD2-CE2 4.43Å; L451-F508 HydrophobicContact CD2-CG 4.37Å; L451-F508 HydrophobicContact CG-CD2 4.16Å; L451-F508 PolarHBondContact N-O 2.91Å; L451-F508 PolarHBondContact O-N 2.99Å; L453-F508 HydrophobicContact CB-CE2 4.49Å; L453-F508 HydrophobicContact CD2-CE2 4.23Å; V476-F508 HydrophobicContact CB-CZ 4.02Å; V476-F508 HydrophobicContact CG1-CE2 4.09Å; V476-F508 HydrophobicContact CG1-CZ 3.85Å; I478-F508 HydrophobicContact CG1-CB 4.31Å; I478-F508 HydrophobicContact CG1-CD1 3.75Å; I478-F508 HydrophobicContact CG1-CE1 4.18Å; I478-F508 HydrophobicContact CG1-CG 4.04Å; R486-F508 HydrophobicContact CG-CD1 3.66Å; R486-F508 HydrophobicContact CG-CE1 4.17Å; K488-F508 HydrophobicContact CB-CE1 4.15Å; K488-F508 HydrophobicContact CB-CZ 3.95Å; K488-F508 HydrophobicContact CD-CE1 3.97Å; K488-F508 HydrophobicContact CD-CZ 4.03Å; K488-F508 HydrophobicContact CG-CE1 3.86Å; K488-F508 HydrophobicContact CG-CZ 4.08Å; M506-F508 HydrophobicContact CB-CD2 4.47Å; M506-F508 HydrophobicContact CB-CE2 3.6Å; M506-F508 HydrophobicContact CB-CZ 4.03Å; M506-F508 HydrophobicContact SD-CZ 4.28Å; F508-I510 HydrophobicContact CB-CD1 4.37Å; F508-I510 HydrophobicContact CB-CG1 4.24Å
509	N	95.4	Very high	96.5	Very high	83 Å²	83	30.1 Å²	30.1	44%	0.444	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.7	170.6	-65.1	-14.8	0	0	0	107.8	P448	P448-N509 HydrophobicContact CB-CB 4.5Å
510	I	95.9	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.6	-173	-57.6	172.8	0	0	0	108.3	P448 I449 L451 I478 F508 P513 C516 F541	P448-I510 CarbonylContact C-O 3.56Å; P448-I510 WeakPolarHBondContact CA-O 3.46Å; I449-I510 PolarHBondContact N-O 3.32Å; I449-I510 PolarHBondContact O-N 3.03Å; L451-I510 HydrophobicContact CB-CD1 4.06Å; L451-I510 HydrophobicContact CD2-CD1 4.28Å; I478-I510 HydrophobicContact CD1-CD1 4.11Å; I478-I510 HydrophobicContact CG1-CD1 4.37Å; I478-I510 HydrophobicContact CG2-CD1 4.44Å; I478-I510 HydrophobicContact CG2-CG1 4.49Å; F508-I510 HydrophobicContact CB-CD1 4.37Å; F508-I510 HydrophobicContact CB-CG1 4.24Å; I510-P513 HydrophobicContact CG2-CB 3.99Å; I510-C516 HydrophobicContact CG2-CB 4.42Å; I510-F541 HydrophobicContact CD1-CD2 3.64Å; I510-F541 HydrophobicContact CD1-CE2 3.34Å; I510-F541 HydrophobicContact CD1-CZ 4.05Å
511	T	94.5	Very high	97.1	Very high	7 Å²	7	27 Å²	27	4%	0.043	14%	0.135	C	C	.	.	S	Bend	trans	-97	-34.8	-170.4	-27.5	0	0	0	0	112.3	C443 L446 P448 F483 D484 P513	C443-T511 HydrophobicContact CB-CG2 4.11Å; C443-T511 VanDerWaalsContact O-CG2 3.3Å; C443-T511 WeakPolarHBondContact O-CG2 3.49Å; L446-T511 HydrophobicContact CB-CG2 3.7Å; P448-T511 HydrophobicContact CG-CG2 4.23Å; F483-T511 WeakPolarHBondContact CD1-OG1 3.33Å; F483-T511 VanDerWaalsContact CE1-OG1 3.26Å; F483-T511 WeakPolarHBondContact CE1-OG1 3.09Å; D484-T511 VanDerWaalsContact CG-N 3.26Å; D484-T511 VanDerWaalsContact OD1-CB 3.3Å; D484-T511 WeakPolarHBondContact OD1-CB 3.4Å; D484-T511 PolarHBondContact OD1-N 3.1Å; D484-T511 PolarHBondContact OD1-OG1 3.33Å; D484-T511 PolarHBondContact OD2-N 2.79Å; T511-P513 VanDerWaalsContact C-CD 3.48Å
512	V	94.8	Very high	97.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.			trans	-126.9	68.1	178.7	-165.8	0	0	0	0	109	V429 F437 L446 I481 D484 E514 L515	V429-V512 HydrophobicContact CG2-CG1 4.03Å; F437-V512 HydrophobicContact CE2-CG2 4.27Å; F437-V512 HydrophobicContact CZ-CG2 4.27Å; L446-V512 HydrophobicContact CD1-CG2 3.77Å; I481-V512 HydrophobicContact CD1-CB 4.45Å; I481-V512 HydrophobicContact CD1-CG2 3.76Å; D484-V512 PolarHBondContact OD2-N 3.05Å; V512-E514 HydrophobicContact CG1-CG 4.19Å; V512-E514 WeakPolarHBondContact CG1-OE1 3.35Å; V512-E514 PolarHBondContact O-N 2.83Å; V512-E514 VanDerWaalsContact O-N 3.14Å; V512-L515 HydrophobicContact CG1-CB 4.08Å; V512-L515 HydrophobicContact CG1-CD1 3.76Å; V512-L515 HydrophobicContact CG1-CG 3.88Å; V512-L515 PolarHBondContact O-N 3.46Å
513	P	95.6	Very high	97.1	Very high	19 Å²	19	23.8 Å²	23.8	12%	0.123	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-54.4	-34.1	-174.1	22.2	-34.4	0	0	0	113.5	I449 I510 T511 L515 C516 F541	I449-P513 HydrophobicContact CD1-CG 3.94Å; I510-P513 HydrophobicContact CG2-CB 3.99Å; T511-P513 VanDerWaalsContact C-CD 3.48Å; P513-L515 PolarHBondContact O-N 2.83Å; P513-C516 WeakPolarHBondContact O-CB 3.39Å; P513-C516 PolarHBondContact O-N 3.35Å; P513-F541 HydrophobicContact CB-CD1 3.37Å; P513-F541 HydrophobicContact CB-CE1 3.57Å; P513-F541 HydrophobicContact CB-CG 4.22Å
514	E	94.8	Very high	97	Very high	65 Å²	65	21.3 Å²	21.3	30%	0.304	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-67.9	-14.6	179.9	68.2	-83.6	-164	0	0	114.5	P427 V429 V512 T542	P427-E514 HydrophobicContact CB-CB 3.8Å; P427-E514 HydrophobicContact CB-CG 3.2Å; P427-E514 HydrophobicContact CG-CG 4.07Å; V429-E514 WeakPolarHBondContact CG1-OE1 3.18Å; V512-E514 HydrophobicContact CG1-CG 4.19Å; V512-E514 WeakPolarHBondContact CG1-OE1 3.35Å; V512-E514 PolarHBondContact O-N 2.83Å; V512-E514 VanDerWaalsContact O-N 3.14Å; E514-T542 HydrophobicContact CB-CG2 4.24Å
515	L	96.1	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-94.5	-16	169.2	-76.5	177.2	0	0	0	113.6	Q387 R414 P427 V429 L430 F437 I481 V512 P513	Q387-L515 PolarHBondContact NE2-O 3.31Å; R414-L515 PolarHBondContact NH2-O 3.42Å; R414-L515 VanDerWaalsContact NH2-O 3.12Å; P427-L515 HydrophobicContact CG-CD2 3.39Å; P427-L515 HydrophobicContact CG-CG 3.82Å; V429-L515 HydrophobicContact CG2-CD1 4.15Å; V429-L515 HydrophobicContact CG2-CG 4.39Å; L430-L515 HydrophobicContact CD1-CD2 3.53Å; L430-L515 HydrophobicContact CG-CD2 4.19Å; F437-L515 HydrophobicContact CE1-CD1 3.98Å; F437-L515 HydrophobicContact CZ-CD1 4.12Å; I481-L515 HydrophobicContact CG2-CD1 3.91Å; V512-L515 HydrophobicContact CG1-CB 4.08Å; V512-L515 HydrophobicContact CG1-CD1 3.76Å; V512-L515 HydrophobicContact CG1-CG 3.88Å; V512-L515 PolarHBondContact O-N 3.46Å; P513-L515 PolarHBondContact O-N 2.83Å
516	C	98.1	Very high	96.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	10%	0.096	C	C	.	.			trans	-82.6	141.9	-170.5	-74.9	0	0	0	0	113.4	I478 H479 I510 P513 F541	I478-C516 HydrophobicContact CG2-CB 4.11Å; H479-C516 CarbonylContact O-C 3.55Å; H479-C516 VanDerWaalsContact O-CA 3.3Å; H479-C516 WeakPolarHBondContact O-CA 2.98Å; I510-C516 HydrophobicContact CG2-CB 4.42Å; P513-C516 WeakPolarHBondContact O-CB 3.39Å; P513-C516 PolarHBondContact O-N 3.35Å; C516-F541 HydrophobicContact CB-CB 4Å; C516-F541 PolarHBondContact O-N 3.33Å
517	L	98.8	Very high	96	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.9	159.7	-57.4	171.2	0	0	0	108.4	W390 L410 R414 I478 H479 T538 M539 P540	W390-L517 HydrophobicContact CZ3-CD1 3.9Å; L410-L517 HydrophobicContact CB-CD1 3.94Å; L410-L517 HydrophobicContact CD2-CB 4.5Å; L410-L517 HydrophobicContact CD2-CD1 3.93Å; L410-L517 HydrophobicContact CG-CD1 4.41Å; R414-L517 HydrophobicContact CB-CD1 4.4Å; R414-L517 HydrophobicContact CB-CD2 4.06Å; I478-L517 WeakPolarHBondContact CA-O 3.49Å; H479-L517 HydrophobicContact CB-CB 4.37Å; H479-L517 PolarHBondContact N-O 2.93Å; H479-L517 PolarHBondContact O-N 3.26Å; L517-T538 HydrophobicContact CB-CG2 4.19Å; L517-T538 HydrophobicContact CD1-CG2 4.49Å; L517-M539 CarbonylContact C-O 3.55Å; L517-M539 VanDerWaalsContact CA-O 3.28Å; L517-M539 WeakPolarHBondContact CA-O 3.42Å; L517-P540 HydrophobicContact CD2-CB 4.17Å; L517-P540 HydrophobicContact CD2-CG 4.12Å
518	I	98.8	Very high	95.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.1	168	-176.9	168	0	0	0	109	L451 V476 E477 I478 F520 T538 M539 L544	L451-I518 HydrophobicContact CD2-CD1 3.95Å; V476-I518 HydrophobicContact CG1-CD1 4.05Å; V476-I518 HydrophobicContact CG1-CG1 4.07Å; E477-I518 WeakPolarHBondContact O-CA 3.42Å; I478-I518 HydrophobicContact CD1-CB 4.05Å; I478-I518 HydrophobicContact CD1-CD1 4.09Å; I478-I518 HydrophobicContact CD1-CG1 3.9Å; I518-F520 HydrophobicContact CD1-CE2 3.82Å; I518-F520 HydrophobicContact CD1-CZ 3.75Å; I518-F520 HydrophobicContact CG1-CD2 4.43Å; I518-F520 HydrophobicContact CG1-CE2 3.85Å; I518-F520 HydrophobicContact CG1-CZ 4.23Å; I518-F520 HydrophobicContact CG2-CE2 4.39Å; I518-T538 VanDerWaalsContact O-CA 3.31Å; I518-T538 WeakPolarHBondContact O-CA 3.29Å; I518-M539 HydrophobicContact CG2-CE 4.12Å; I518-M539 HydrophobicContact CG2-CG 3.74Å; I518-M539 PolarHBondContact N-O 2.76Å; I518-M539 PolarHBondContact O-N 3.37Å; I518-L544 HydrophobicContact CD1-CD1 4.49Å; I518-L544 HydrophobicContact CD1-CD2 4.17Å; I518-L544 HydrophobicContact CG2-CD1 4.17Å
519	R	98.8	Very high	95	Very high	11 Å²	11	36.6 Å²	36.6	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.2	-179.6	176.7	168.4	-177.7	-74.2	-8.7	110.9	D409 V476 E477 C521 Y537 T538	D409-R519 IonicContact OD2-CZ 3.12Å; D409-R519 IonicContact OD2-NE 3.67Å; D409-R519 PolarHBondContact OD2-NE 3.47Å; D409-R519 IonicContact OD2-NH2 3.43Å; D409-R519 PolarHBondContact OD2-NH2 2.69Å; V476-R519 CarbonylContact C-O 3.58Å; V476-R519 WeakPolarHBondContact CA-O 3.46Å; E477-R519 HydrophobicContact CB-CB 4.33Å; E477-R519 PolarHBondContact N-O 2.79Å; E477-R519 PolarHBondContact O-N 2.97Å; E477-R519 IonicContact OE1-NH1 2.78Å; E477-R519 WeakPolarHBondContact OE2-CD 3.49Å; E477-R519 IonicContact OE2-CZ 2.68Å; E477-R519 IonicContact OE2-NH1 3.67Å; E477-R519 PolarHBondContact OE2-NH1 2.59Å; R519-C521 VanDerWaalsContact NH1-CB 3.3Å; R519-Y537 CarbonylContact C-O 3.55Å; R519-Y537 WeakPolarHBondContact CA-O 3.38Å; R519-T538 HydrophobicContact CB-CG2 4.18Å; R519-T538 WeakPolarHBondContact CB-OG1 3.47Å; R519-T538 VanDerWaalsContact CD-OG1 3.27Å; R519-T538 WeakPolarHBondContact CD-OG1 3.39Å; R519-T538 WeakPolarHBondContact CG-OG1 3.25Å
520	F	98.9	Very high	94.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.9	169.9	-61.3	-97.5	0	0	0	108.1	L453 V476 I518 Q536 Y537 M539 V551 L566 V568	L453-F520 HydrophobicContact CD1-CE1 4.2Å; L453-F520 HydrophobicContact CD1-CZ 4.27Å; L453-F520 HydrophobicContact CD2-CE1 3.84Å; L453-F520 HydrophobicContact CD2-CZ 4.23Å; V476-F520 HydrophobicContact CG1-CE1 4.48Å; V476-F520 HydrophobicContact CG2-CD1 3.83Å; V476-F520 HydrophobicContact CG2-CE1 4.07Å; I518-F520 HydrophobicContact CD1-CE2 3.82Å; I518-F520 HydrophobicContact CD1-CZ 3.75Å; I518-F520 HydrophobicContact CG1-CD2 4.43Å; I518-F520 HydrophobicContact CG1-CE2 3.85Å; I518-F520 HydrophobicContact CG1-CZ 4.23Å; I518-F520 HydrophobicContact CG2-CE2 4.39Å; F520-Q536 CarbonylContact O-C 3.51Å; F520-Q536 WeakPolarHBondContact O-CA 3.38Å; F520-Q536 WeakPolarHBondContact O-CB 3.47Å; F520-Y537 PolarHBondContact N-O 3.44Å; F520-Y537 PolarHBondContact O-N 3.33Å; F520-M539 HydrophobicContact CD2-CE 4.26Å; F520-M539 HydrophobicContact CE2-CE 3.72Å; F520-V551 HydrophobicContact CB-CG1 4.23Å; F520-V551 HydrophobicContact CD1-CG2 4.41Å; F520-V551 HydrophobicContact CD2-CG1 3.98Å; F520-V551 HydrophobicContact CE1-CG2 4.35Å; F520-V551 HydrophobicContact CE2-CG2 4.5Å; F520-V551 HydrophobicContact CG-CG1 4.07Å; F520-V551 HydrophobicContact CZ-CG2 4.4Å; F520-L566 HydrophobicContact CB-CD1 4.03Å; F520-L566 HydrophobicContact CD1-CD1 4.23Å; F520-V568 HydrophobicContact CE1-CG1 4.02Å
521	C	98.6	Very high	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	114	-179.1	-173.1	0	0	0	0	109.9	R475 R519	R475-C521 HydrophobicContact CB-CB 4.45Å; R475-C521 PolarHBondContact N-O 2.82Å; R475-C521 PolarHBondContact O-N 3.48Å; R519-C521 VanDerWaalsContact NH1-CB 3.3Å
522	V	98.4	Very high	94.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133	172	-171.4	0	0	0	0	108.8	L461 P472 V474 V534 G535 L553 L566	L461-V522 HydrophobicContact CD1-CG1 3.83Å; L461-V522 HydrophobicContact CD2-CG1 4.19Å; L461-V522 HydrophobicContact CD2-CG2 4.48Å; P472-V522 HydrophobicContact CB-CG1 4.29Å; V474-V522 HydrophobicContact CG2-CG2 4.35Å; V522-V534 HydrophobicContact CB-CB 4.17Å; V522-V534 HydrophobicContact CG1-CB 4.01Å; V522-V534 HydrophobicContact CG1-CG1 4.19Å; V522-V534 HydrophobicContact CG1-CG2 4.46Å; V522-V534 PolarHBondContact O-N 2.78Å; V522-G535 PolarHBondContact N-O 2.85Å; V522-G535 PolarHBondContact O-N 2.98Å; V522-L553 HydrophobicContact CB-CD1 4.49Å; V522-L553 HydrophobicContact CG2-CD1 3.73Å; V522-L553 HydrophobicContact CG2-CD2 3.83Å; V522-L553 HydrophobicContact CG2-CG 4.47Å; V522-L566 HydrophobicContact CG2-CD1 4.03Å; V522-L566 HydrophobicContact CG2-CD2 3.8Å; V522-L566 HydrophobicContact CG2-CG 4.14Å
523	R	97.1	Very high	94.8	Very high	54 Å²	54	44.9 Å²	44.9	20%	0.204	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148	-179.9	-58.7	-173.1	73.3	91.6	4.5	110.3	P472 F473 S531 E532	P472-R523 CarbonylContact C-O 3.51Å; P472-R523 VanDerWaalsContact CA-O 3.27Å; P472-R523 WeakPolarHBondContact CA-O 3.3Å; F473-R523 HydrophobicContact CD1-CB 4.14Å; F473-R523 HydrophobicContact CE1-CB 3.57Å; F473-R523 HydrophobicContact CE2-CB 4.13Å; F473-R523 HydrophobicContact CE2-CG 4.45Å; F473-R523 HydrophobicContact CZ-CB 3.57Å; F473-R523 HydrophobicContact CZ-CG 4.16Å; F473-R523 PolarHBondContact N-O 3.29Å; F473-R523 PolarHBondContact O-N 3.45Å; R523-S531 PolarHBondContact NE-OG 2.69Å; R523-S531 PolarHBondContact NH2-O 3.12Å; R523-S531 PolarHBondContact NH2-OG 2.84Å; R523-E532 CarbonylContact C-O 3.49Å; R523-E532 WeakPolarHBondContact CA-O 3.36Å; R523-E532 VanDerWaalsContact CB-O 3.31Å; R523-E532 WeakPolarHBondContact CB-O 3.23Å
524	D	95.4	Very high	94.8	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.3	173.6	-174.7	8.3	0	0	0	109.4	R467 L470 D471 M526 S531 E532 V534	R467-D524 IonicContact NH1-OD1 3.17Å; R467-D524 PolarHBondContact NH1-OD1 3.47Å; R467-D524 IonicContact NH1-OD2 2.79Å; R467-D524 PolarHBondContact NH1-OD2 2.82Å; L470-D524 HydrophobicContact CD2-CB 4Å; L470-D524 WeakPolarHBondContact CD2-OD2 3.22Å; D471-D524 WeakPolarHBondContact CA-OD1 3.31Å; D471-D524 PolarHBondContact N-OD1 2.99Å; D524-M526 HydrophobicContact CB-CE 3.5Å; D524-M526 PolarHBondContact O-N 3.33Å; D524-M526 WeakPolarHBondContact OD2-CE 3.32Å; D524-S531 CarbonylContact O-C 3.55Å; D524-S531 WeakPolarHBondContact O-CA 3.2Å; D524-S531 WeakPolarHBondContact O-CB 3.19Å; D524-E532 PolarHBondContact N-O 3.42Å; D524-E532 PolarHBondContact O-N 2.92Å; D524-V534 HydrophobicContact CB-CG2 3.81Å
525	Q	95.2	Very high	94.9	Very high	46 Å²	46	41.6 Å²	41.6	22%	0.215	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.4	177.5	-168.7	73.3	14.3	0	0	109.7	D471 F473 T492 T527 L528	D471-Q525 HydrophobicContact CB-CB 4.17Å; D471-Q525 WeakPolarHBondContact O-CB 3.43Å; D471-Q525 PolarHBondContact O-N 3.24Å; F473-Q525 HydrophobicContact CD1-CB 4.37Å; F473-Q525 HydrophobicContact CE1-CB 4.46Å; T492-Q525 HydrophobicContact CG2-CB 3.82Å; T492-Q525 HydrophobicContact CG2-CG 4.47Å; Q525-T527 PolarHBondContact NE2-O 2.96Å; Q525-L528 PolarHBondContact NE2-O 3.18Å
526	M	89.1	Confident	95.1	Very high	47 Å²	47	41.7 Å²	41.7	23%	0.232	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-50.2	178.3	-61.2	-68.3	119	0	0	111.5	D524 K530 E532	D524-M526 HydrophobicContact CB-CE 3.5Å; D524-M526 PolarHBondContact O-N 3.33Å; D524-M526 WeakPolarHBondContact OD2-CE 3.32Å; M526-K530 HydrophobicContact CB-CB 4.35Å; M526-K530 HydrophobicContact CB-CD 4.49Å; M526-K530 HydrophobicContact CB-CG 4.44Å; M526-K530 WeakPolarHBondContact CB-O 3.45Å; M526-K530 PolarHBondContact N-O 3.21Å; M526-E532 HydrophobicContact CE-CB 4.16Å; M526-E532 HydrophobicContact CE-CG 4.27Å; M526-E532 HydrophobicContact CG-CB 4.46Å; M526-E532 HydrophobicContact CG-CG 3.74Å; M526-E532 HydrophobicContact SD-CG 4.25Å
527	T	88.1	Confident	95.1	Very high	83 Å²	83	42.1 Å²	42.1	51%	0.509	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	174.7	-178.4	68.9	0	0	0	0	108	Q525 F529 K530	Q525-T527 PolarHBondContact NE2-O 2.96Å; T527-F529 PolarHBondContact O-N 3.13Å; T527-K530 PolarHBondContact N-O 3.25Å; T527-K530 PolarHBondContact O-N 3.07Å; T527-K530 VanDerWaalsContact O-O 3.11Å; T527-K530 WeakPolarHBondContact OG1-CB 3.35Å; T527-K530 PolarHBondContact OG1-N 3.25Å
528	L	84.8	Confident	95.1	Very high	151 Å²	151	42.2 Å²	42.2	79%	0.791	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.7	-179.9	-69.8	169.8	0	0	0	114.5	Q525	Q525-L528 PolarHBondContact NE2-O 3.18Å
529	F	88.4	Confident	95.1	Very high	199 Å²	199	42.2 Å²	42.2	87%	0.873	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114	-7.6	-175	-52.4	-68.6	0	0	0	114.2	T527	T527-F529 PolarHBondContact O-N 3.13Å
530	K	91.4	Very high	95.1	Very high	113 Å²	113	41.9 Å²	41.9	49%	0.491	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.8	-177.1	-169.3	-174.2	172.8	-153.9	0	110.4	M526 T527 E532	M526-K530 HydrophobicContact CB-CB 4.35Å; M526-K530 HydrophobicContact CB-CD 4.49Å; M526-K530 HydrophobicContact CB-CG 4.44Å; M526-K530 WeakPolarHBondContact CB-O 3.45Å; M526-K530 PolarHBondContact N-O 3.21Å; T527-K530 PolarHBondContact N-O 3.25Å; T527-K530 PolarHBondContact O-N 3.07Å; T527-K530 VanDerWaalsContact O-O 3.11Å; T527-K530 WeakPolarHBondContact OG1-CB 3.35Å; T527-K530 PolarHBondContact OG1-N 3.25Å; K530-E532 WeakPolarHBondContact CE-OE1 3.36Å; K530-E532 IonicContact NZ-OE1 3.82Å; K530-E532 PolarHBondContact NZ-OE1 2.73Å
531	S	93.9	Very high	95	Very high	28 Å²	28	42 Å²	42	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.7	169.1	58.1	0	0	0	0	110.8	R523 D524	R523-S531 PolarHBondContact NE-OG 2.69Å; R523-S531 PolarHBondContact NH2-O 3.12Å; R523-S531 PolarHBondContact NH2-OG 2.84Å; D524-S531 CarbonylContact O-C 3.55Å; D524-S531 WeakPolarHBondContact O-CA 3.2Å; D524-S531 WeakPolarHBondContact O-CB 3.19Å
532	E	93.9	Very high	95	Very high	73 Å²	73	45.1 Å²	45.1	34%	0.341	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	153.6	179.5	-65.9	-172.4	172	0	0	111.2	R523 D524 M526 K530	R523-E532 CarbonylContact C-O 3.49Å; R523-E532 WeakPolarHBondContact CA-O 3.36Å; R523-E532 VanDerWaalsContact CB-O 3.31Å; R523-E532 WeakPolarHBondContact CB-O 3.23Å; D524-E532 PolarHBondContact N-O 3.42Å; D524-E532 PolarHBondContact O-N 2.92Å; M526-E532 HydrophobicContact CE-CB 4.16Å; M526-E532 HydrophobicContact CE-CG 4.27Å; M526-E532 HydrophobicContact CG-CB 4.46Å; M526-E532 HydrophobicContact CG-CG 3.74Å; M526-E532 HydrophobicContact SD-CG 4.25Å; K530-E532 WeakPolarHBondContact CE-OE1 3.36Å; K530-E532 IonicContact NZ-OE1 3.82Å; K530-E532 PolarHBondContact NZ-OE1 2.73Å
533	F	95.8	Very high	95	Very high	49 Å²	49	45.2 Å²	45.2	22%	0.215	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.7	179	172.6	-83	0	0	0	109.7	Q536 R556	F533-Q536 HydrophobicContact CE2-CB 3.74Å; F533-Q536 HydrophobicContact CE2-CG 3.77Å; F533-Q536 HydrophobicContact CZ-CB 4.04Å; F533-Q536 HydrophobicContact CZ-CG 3.81Å; F533-R556 HydrophobicContact CD1-CB 4.18Å; F533-R556 HydrophobicContact CE1-CB 3.9Å
534	V	96.4	Very high	95	Very high	15 Å²	15	42.8 Å²	42.8	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-55	173.9	177.1	0	0	0	0	110.2	L461 P462 L470 V522 D524	L461-V534 HydrophobicContact CB-CG1 4.37Å; P462-V534 HydrophobicContact CG-CG1 3.89Å; L470-V534 HydrophobicContact CD1-CG1 4.1Å; L470-V534 HydrophobicContact CD1-CG2 4.18Å; V522-V534 HydrophobicContact CB-CB 4.17Å; V522-V534 HydrophobicContact CG1-CB 4.01Å; V522-V534 HydrophobicContact CG1-CG1 4.19Å; V522-V534 HydrophobicContact CG1-CG2 4.46Å; V522-V534 PolarHBondContact O-N 2.78Å; D524-V534 HydrophobicContact CB-CG2 3.81Å
535	G	98	Very high	95.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	163.5	-179.6	0	0	0	0	0	111.5	V522 L554	V522-G535 PolarHBondContact N-O 2.85Å; V522-G535 PolarHBondContact O-N 2.98Å; G535-L554 CarbonylContact C-O 3.56Å; G535-L554 VanDerWaalsContact CA-O 3.24Å; G535-L554 WeakPolarHBondContact CA-O 3.43Å
536	Q	98.6	Very high	95.2	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.3	177.9	70.5	88.8	16.7	0	0	113.2	D409 F520 F533 T538 L554	D409-Q536 HydrophobicContact CB-CG 4.42Å; D409-Q536 PolarHBondContact OD1-NE2 3.35Å; D409-Q536 WeakPolarHBondContact OD2-CG 3.26Å; F520-Q536 CarbonylContact O-C 3.51Å; F520-Q536 WeakPolarHBondContact O-CA 3.38Å; F520-Q536 WeakPolarHBondContact O-CB 3.47Å; F533-Q536 HydrophobicContact CE2-CB 3.74Å; F533-Q536 HydrophobicContact CE2-CG 3.77Å; F533-Q536 HydrophobicContact CZ-CB 4.04Å; F533-Q536 HydrophobicContact CZ-CG 3.81Å; Q536-T538 PolarHBondContact OE1-OG1 3.48Å; Q536-L554 PolarHBondContact N-O 2.81Å; Q536-L554 WeakPolarHBondContact O-CA 3.45Å; Q536-L554 WeakPolarHBondContact O-CB 3.43Å; Q536-L554 PolarHBondContact O-N 3.34Å
537	Y	98.8	Very high	95.6	Very high	10 Å²	10	43.3 Å²	43.3	4%	0.039	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	132.1	164.8	-165.5	-111	0	0	0	110.3	V89 F90 Q416 R519 F520 M539 V551 P552 L554	V89-Y537 HydrophobicContact CG1-CD1 4.18Å; V89-Y537 HydrophobicContact CG1-CE1 3.97Å; F90-Y537 HydrophobicContact CB-CE1 4.3Å; F90-Y537 WeakPolarHBondContact CB-OH 3.48Å; Q416-Y537 PolarHBondContact NE2-OH 2.86Å; Q416-Y537 PolarHBondContact OE1-OH 3.03Å; R519-Y537 CarbonylContact C-O 3.55Å; R519-Y537 WeakPolarHBondContact CA-O 3.38Å; F520-Y537 PolarHBondContact N-O 3.44Å; F520-Y537 PolarHBondContact O-N 3.33Å; Y537-M539 HydrophobicContact CD1-CE 3.84Å; Y537-M539 HydrophobicContact CE1-CB 4.39Å; Y537-M539 HydrophobicContact CE1-CE 3.82Å; Y537-M539 HydrophobicContact CE1-SD 3.94Å; Y537-V551 HydrophobicContact CD1-CG1 3.65Å; Y537-V551 HydrophobicContact CG-CG1 3.88Å; Y537-P552 WeakPolarHBondContact CB-O 3.44Å; Y537-P552 HydrophobicContact CD2-CG 3.87Å; Y537-P552 WeakPolarHBondContact CD2-O 3.46Å; Y537-P552 HydrophobicContact CE1-CG 4.32Å; Y537-P552 HydrophobicContact CE2-CG 3.69Å; Y537-P552 HydrophobicContact CG-CG 4.3Å; Y537-L554 HydrophobicContact CD2-CD1 4.09Å; Y537-L554 HydrophobicContact CD2-CG 4.13Å; Y537-L554 HydrophobicContact CE2-CD1 4.41Å
538	T	98.9	Very high	96.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.6	-178.4	-58.5	0	0	0	0	109.5	D409 L410 G413 Q416 L517 I518 R519 Q536	D409-T538 WeakPolarHBondContact O-CB 3.4Å; L410-T538 HydrophobicContact CD2-CG2 3.86Å; G413-T538 WeakPolarHBondContact CA-O 3.26Å; Q416-T538 PolarHBondContact NE2-O 3.35Å; L517-T538 HydrophobicContact CB-CG2 4.19Å; L517-T538 HydrophobicContact CD1-CG2 4.49Å; I518-T538 VanDerWaalsContact O-CA 3.31Å; I518-T538 WeakPolarHBondContact O-CA 3.29Å; R519-T538 HydrophobicContact CB-CG2 4.18Å; R519-T538 WeakPolarHBondContact CB-OG1 3.47Å; R519-T538 VanDerWaalsContact CD-OG1 3.27Å; R519-T538 WeakPolarHBondContact CD-OG1 3.39Å; R519-T538 WeakPolarHBondContact CG-OG1 3.25Å; Q536-T538 PolarHBondContact OE1-OG1 3.48Å
539	M	98.5	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	164.7	175.3	67.3	-168.3	124.6	0	0	111.3	V89 F90 L517 I518 F520 Y537 L544	V89-M539 HydrophobicContact CB-CE 4.2Å; V89-M539 HydrophobicContact CG1-CE 3.44Å; V89-M539 VanDerWaalsContact CG1-CE 3.44Å; V89-M539 HydrophobicContact CG1-SD 4.14Å; V89-M539 HydrophobicContact CG2-CE 3.77Å; F90-M539 HydrophobicContact CB-SD 4.21Å; F90-M539 HydrophobicContact CD2-CB 3.7Å; F90-M539 HydrophobicContact CD2-CG 4.41Å; F90-M539 HydrophobicContact CD2-SD 3.98Å; F90-M539 HydrophobicContact CE2-CB 4.01Å; L517-M539 CarbonylContact C-O 3.55Å; L517-M539 VanDerWaalsContact CA-O 3.28Å; L517-M539 WeakPolarHBondContact CA-O 3.42Å; I518-M539 HydrophobicContact CG2-CE 4.12Å; I518-M539 HydrophobicContact CG2-CG 3.74Å; I518-M539 PolarHBondContact N-O 2.76Å; I518-M539 PolarHBondContact O-N 3.37Å; F520-M539 HydrophobicContact CD2-CE 4.26Å; F520-M539 HydrophobicContact CE2-CE 3.72Å; Y537-M539 HydrophobicContact CD1-CE 3.84Å; Y537-M539 HydrophobicContact CE1-CB 4.39Å; Y537-M539 HydrophobicContact CE1-CE 3.82Å; Y537-M539 HydrophobicContact CE1-SD 3.94Å; M539-L544 HydrophobicContact CE-CD1 3.64Å; M539-L544 HydrophobicContact SD-CD1 4.17Å
540	P	98.5	Very high	97.2	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	143	169.7	-15.2	32.2	0	0	0	110.6	G413 D417 L517 T542 S543	G413-P540 VanDerWaalsContact O-CD 3.29Å; G413-P540 WeakPolarHBondContact O-CD 3.25Å; D417-P540 HydrophobicContact CB-CG 3.83Å; L517-P540 HydrophobicContact CD2-CB 4.17Å; L517-P540 HydrophobicContact CD2-CG 4.12Å; P540-T542 PolarHBondContact O-N 3.33Å; P540-S543 WeakPolarHBondContact O-CB 3.36Å; P540-S543 PolarHBondContact O-N 2.89Å
541	F	98.2	Very high	97.5	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.018	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-58.8	-35.9	177.4	179.8	-86.5	0	0	0	111.6	L451 I510 P513 C516 S543 L544 Y572	L451-F541 HydrophobicContact CB-CE2 4.19Å; L451-F541 HydrophobicContact CD1-CE2 4.34Å; L451-F541 HydrophobicContact CD2-CE2 4.07Å; L451-F541 HydrophobicContact CG-CE2 4.42Å; I510-F541 HydrophobicContact CD1-CD2 3.64Å; I510-F541 HydrophobicContact CD1-CE2 3.34Å; I510-F541 HydrophobicContact CD1-CZ 4.05Å; P513-F541 HydrophobicContact CB-CD1 3.37Å; P513-F541 HydrophobicContact CB-CE1 3.57Å; P513-F541 HydrophobicContact CB-CG 4.22Å; C516-F541 HydrophobicContact CB-CB 4Å; C516-F541 PolarHBondContact O-N 3.33Å; F541-S543 PolarHBondContact O-N 2.77Å; F541-L544 HydrophobicContact CD2-CD2 4.37Å; F541-L544 HydrophobicContact CE2-CD2 4.23Å; F541-L544 WeakPolarHBondContact O-CB 3.26Å; F541-L544 PolarHBondContact O-N 3.22Å; F541-Y572 HydrophobicContact CE1-CD2 4.15Å; F541-Y572 AromaticContact CE1-CE2 3.9Å; F541-Y572 HydrophobicContact CE1-CE2 3.9Å; F541-Y572 HydrophobicContact CZ-CD1 4.11Å; F541-Y572 AromaticContact CZ-CD2 3.92Å; F541-Y572 HydrophobicContact CZ-CD2 3.92Å; F541-Y572 HydrophobicContact CZ-CE1 4.21Å; F541-Y572 HydrophobicContact CZ-CE2 4.02Å; F541-Y572 AromaticContact CZ-CG 3.97Å; F541-Y572 HydrophobicContact CZ-CG 3.97Å
542	T	97.1	Very high	97.7	Very high	65 Å²	65	20.5 Å²	20.5	40%	0.399	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-63.9	-17.2	175.5	51.2	0	0	0	0	113.8	H94 E514 P540	H94-T542 PolarHBondContact CE1-O 3.23Å; E514-T542 HydrophobicContact CB-CG2 4.24Å; P540-T542 PolarHBondContact O-N 3.33Å
543	S	98.1	Very high	97.9	Very high	1 Å²	1	17 Å²	17	1%	0.007	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-95.7	1.5	175	-58	0	0	0	0	113	N91 H94 D417 P540 F541 K545	N91-S543 WeakPolarHBondContact CB-O 3.37Å; N91-S543 PolarHBondContact N-O 2.86Å; H94-S543 PolarHBondContact ND1-OG 3.38Å; D417-S543 PolarHBondContact OD1-OG 2.98Å; P540-S543 WeakPolarHBondContact O-CB 3.36Å; P540-S543 PolarHBondContact O-N 2.89Å; F541-S543 PolarHBondContact O-N 2.77Å; S543-K545 PolarHBondContact O-N 3.12Å
544	L	97.9	Very high	98	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.016	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-80.6	111.1	-178.1	-175	74.6	0	0	0	111	V89 L451 I518 M539 F541 V570 Y572	V89-L544 HydrophobicContact CG2-CD1 3.45Å; V89-L544 VanDerWaalsContact CG2-CD1 3.45Å; L451-L544 HydrophobicContact CD1-CD2 3.98Å; I518-L544 HydrophobicContact CD1-CD1 4.49Å; I518-L544 HydrophobicContact CD1-CD2 4.17Å; I518-L544 HydrophobicContact CG2-CD1 4.17Å; M539-L544 HydrophobicContact CE-CD1 3.64Å; M539-L544 HydrophobicContact SD-CD1 4.17Å; F541-L544 HydrophobicContact CD2-CD2 4.37Å; F541-L544 HydrophobicContact CE2-CD2 4.23Å; F541-L544 WeakPolarHBondContact O-CB 3.26Å; F541-L544 PolarHBondContact O-N 3.22Å; L544-V570 HydrophobicContact CD1-CG2 4.47Å; L544-V570 HydrophobicContact CD2-CG1 3.63Å; L544-V570 HydrophobicContact CG-CG1 3.93Å; L544-Y572 HydrophobicContact CD2-CE1 4.1Å; L544-Y572 HydrophobicContact CG-CE1 4.49Å; L544-Y572 PolarHBondContact O-OH 3.48Å
545	K	97.3	Very high	98.1	Very high	41 Å²	41	16.4 Å²	16.4	18%	0.178	8%	0.082	C	C	.	.			trans	-71.5	142.7	173.3	-65.9	-162.2	73.6	-174.5	0	111.6	E46 D86 V89 N91 S543 R549 V570	E46-K545 VanDerWaalsContact OE1-CE 3.23Å; E46-K545 WeakPolarHBondContact OE1-CE 3.45Å; E46-K545 IonicContact OE1-NZ 2.63Å; E46-K545 PolarHBondContact OE1-NZ 2.84Å; D86-K545 PolarHBondContact O-NZ 3.05Å; V89-K545 PolarHBondContact O-N 3.25Å; N91-K545 HydrophobicContact CB-CG 3.99Å; S543-K545 PolarHBondContact O-N 3.12Å; K545-R549 HydrophobicContact CB-CG 4.33Å; K545-R549 VanDerWaalsContact NZ-NH1 3.11Å; K545-V570 WeakPolarHBondContact O-CB 3.39Å
546	K	97.8	Very high	97.9	Very high	66 Å²	66	23.4 Å²	23.4	29%	0.287	11%	0.108	S	C	.	.			trans	-79.4	165	172.7	-61.1	-176.1	-170.3	-175.9	0	111.5	M45 R549 V570 Y572	M45-K546 HydrophobicContact CB-CB 3.96Å; M45-K546 HydrophobicContact CB-CD 4.44Å; M45-K546 HydrophobicContact CE-CD 3.88Å; M45-K546 HydrophobicContact CG-CB 4.24Å; M45-K546 HydrophobicContact SD-CB 3.72Å; M45-K546 HydrophobicContact SD-CD 3.78Å; M45-K546 HydrophobicContact SD-CG 4.27Å; K546-R549 PolarHBondContact O-NE 3.23Å; K546-R549 PolarHBondContact O-NH2 3.14Å; K546-V570 CarbonylContact C-O 3.4Å; K546-V570 WeakPolarHBondContact CA-O 3.34Å; K546-Y572 HydrophobicContact CD-CD1 4.49Å; K546-Y572 HydrophobicContact CD-CE1 4.36Å; K546-Y572 VanDerWaalsContact CE-CE2 3.44Å; K546-Y572 VanDerWaalsContact CE-O 3.24Å; K546-Y572 WeakPolarHBondContact CE-O 3.43Å; K546-Y572 HydrophobicContact CG-CD1 4.05Å; K546-Y572 HydrophobicContact CG-CE1 3.66Å; K546-Y572 PolarHBondContact NZ-O 3.18Å
547	G	98.3	Very high	97.6	Very high	1 Å²	1	28 Å²	28	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.6	-164.9	178.3	0	0	0	0	0	115.1	E43 R549 L569 V570	E43-G547 WeakPolarHBondContact O-CA 3.14Å; G547-R549 PolarHBondContact O-N 2.86Å; G547-L569 WeakPolarHBondContact O-CA 3.16Å; G547-V570 PolarHBondContact N-O 2.64Å; G547-V570 PolarHBondContact O-N 3.42Å
548	Y	98.3	Very high	97.3	Very high	29 Å²	29	28.8 Å²	28.8	11%	0.114	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	112.3	177.8	-71.4	-83.4	0	0	0	110.9	L20 R23 E43 Q44 I456 F567 V568 L569	L20-Y548 HydrophobicContact CD1-CD1 3.81Å; L20-Y548 HydrophobicContact CD1-CD2 4.11Å; L20-Y548 HydrophobicContact CD1-CE1 3.98Å; L20-Y548 HydrophobicContact CD1-CE2 4.28Å; L20-Y548 HydrophobicContact CD1-CG 3.87Å; L20-Y548 HydrophobicContact CD2-CD1 4.49Å; L20-Y548 HydrophobicContact CD2-CD2 3.85Å; L20-Y548 HydrophobicContact CD2-CE1 4.06Å; L20-Y548 HydrophobicContact CD2-CE2 3.35Å; L20-Y548 HydrophobicContact CD2-CG 4.39Å; L20-Y548 VanDerWaalsContact CD2-CZ 3.46Å; L20-Y548 HydrophobicContact CG-CE2 4.46Å; R23-Y548 PolarHBondContact NH2-OH 2.9Å; E43-Y548 HydrophobicContact CB-CD2 3.94Å; E43-Y548 HydrophobicContact CB-CE2 3.97Å; E43-Y548 HydrophobicContact CG-CE2 4.41Å; E43-Y548 WeakPolarHBondContact OE2-CE2 3.28Å; Q44-Y548 PolarHBondContact NE2-O 3.16Å; Q44-Y548 PolarHBondContact OE1-O 3.5Å; I456-Y548 HydrophobicContact CD1-CD1 3.82Å; I456-Y548 HydrophobicContact CD1-CE1 3.71Å; Y548-F567 AromaticContact CD1-CE1 3.83Å; Y548-F567 HydrophobicContact CD1-CE1 3.83Å; Y548-F567 AromaticContact CD1-CZ 3.8Å; Y548-F567 HydrophobicContact CD1-CZ 3.8Å; Y548-F567 HydrophobicContact CG-CZ 4.17Å; Y548-V568 CarbonylContact C-O 3.55Å; Y548-V568 WeakPolarHBondContact CA-O 3.25Å; Y548-L569 HydrophobicContact CD1-CB 4.06Å; Y548-L569 HydrophobicContact CD1-CD1 4.19Å; Y548-L569 HydrophobicContact CD2-CD1 3.91Å; Y548-L569 HydrophobicContact CE1-CB 3.96Å; Y548-L569 HydrophobicContact CE1-CD1 4.15Å; Y548-L569 HydrophobicContact CE1-CD2 4.2Å; Y548-L569 HydrophobicContact CE1-CG 4.33Å; Y548-L569 HydrophobicContact CE2-CD1 3.85Å; Y548-L569 HydrophobicContact CG-CD1 4.07Å
549	R	98.1	Very high	97.1	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.2	-173.9	-56.6	-62.4	175.3	-176.8	-4.8	111.5	Q44 E46 D86 C87 V89 K545 K546 G547 F567 V568	Q44-R549 PolarHBondContact O-NH2 2.97Å; E46-R549 IonicContact OE1-CZ 3.11Å; E46-R549 IonicContact OE1-NH1 3.49Å; E46-R549 IonicContact OE1-NH2 2.65Å; E46-R549 PolarHBondContact OE1-NH2 3.27Å; D86-R549 PolarHBondContact O-NH1 3.16Å; C87-R549 CarbonylContact O-C 3.52Å; C87-R549 WeakPolarHBondContact O-CA 3.28Å; C87-R549 WeakPolarHBondContact O-CB 3.35Å; C87-R549 WeakPolarHBondContact O-CD 3.41Å; V89-R549 HydrophobicContact CB-CB 3.83Å; V89-R549 HydrophobicContact CG2-CB 4.06Å; K545-R549 HydrophobicContact CB-CG 4.33Å; K545-R549 VanDerWaalsContact NZ-NH1 3.11Å; K546-R549 PolarHBondContact O-NE 3.23Å; K546-R549 PolarHBondContact O-NH2 3.14Å; G547-R549 PolarHBondContact O-N 2.86Å; R549-F567 WeakPolarHBondContact O-CD2 3.45Å; R549-V568 HydrophobicContact CB-CG2 4.25Å; R549-V568 PolarHBondContact N-O 3.17Å; R549-V568 WeakPolarHBondContact O-CG2 3.42Å; R549-V568 PolarHBondContact O-N 2.95Å
550	W	97.4	Very high	97	Very high	40 Å²	40	36 Å²	36	15%	0.152	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	145.1	165.8	68.6	-88.7	0	0	0	111.1	E83 S84 C87 C88 V89 P552 L566	E83-W550 PolarHBondContact O-NE1 2.85Å; S84-W550 PolarHBondContact O-NE1 2.82Å; C87-W550 VanDerWaalsContact C-CD1 3.43Å; C87-W550 PolarHBondContact O-N 2.95Å; C88-W550 HydrophobicContact CB-CH2 4.5Å; C88-W550 HydrophobicContact CB-CZ2 3.73Å; V89-W550 WeakPolarHBondContact CB-O 3.39Å; V89-W550 PolarHBondContact N-O 2.67Å; W550-P552 HydrophobicContact CE3-CB 4.27Å; W550-P552 HydrophobicContact CE3-CG 4.48Å; W550-P552 HydrophobicContact CH2-CB 4.25Å; W550-P552 HydrophobicContact CH2-CG 4.4Å; W550-P552 HydrophobicContact CZ3-CB 3.51Å; W550-P552 HydrophobicContact CZ3-CG 3.89Å; W550-L566 CarbonylContact C-O 3.56Å; W550-L566 WeakPolarHBondContact CA-O 3.32Å
551	V	98.6	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.4	-179.8	-171.8	0	0	0	0	108.1	V89 F520 Y537 S565 L566 V568	V89-V551 HydrophobicContact CB-CG2 4.04Å; V89-V551 HydrophobicContact CG1-CB 4.09Å; V89-V551 HydrophobicContact CG1-CG1 4.03Å; V89-V551 HydrophobicContact CG1-CG2 3.86Å; V89-V551 HydrophobicContact CG2-CG2 4.27Å; F520-V551 HydrophobicContact CB-CG1 4.23Å; F520-V551 HydrophobicContact CD1-CG2 4.41Å; F520-V551 HydrophobicContact CD2-CG1 3.98Å; F520-V551 HydrophobicContact CE1-CG2 4.35Å; F520-V551 HydrophobicContact CE2-CG2 4.5Å; F520-V551 HydrophobicContact CG-CG1 4.07Å; F520-V551 HydrophobicContact CZ-CG2 4.4Å; Y537-V551 HydrophobicContact CD1-CG1 3.65Å; Y537-V551 HydrophobicContact CG-CG1 3.88Å; V551-S565 CarbonylContact O-C 3.49Å; V551-S565 WeakPolarHBondContact O-CA 3.4Å; V551-S565 VanDerWaalsContact O-CB 3.3Å; V551-S565 WeakPolarHBondContact O-CB 3.39Å; V551-L566 HydrophobicContact CB-CB 4.04Å; V551-L566 HydrophobicContact CG2-CB 4.26Å; V551-L566 PolarHBondContact N-O 3.39Å; V551-L566 PolarHBondContact O-N 3.33Å; V551-V568 HydrophobicContact CG2-CG1 4Å; V551-V568 HydrophobicContact CG2-CG2 3.81Å
552	P	97.9	Very high	96.7	Very high	23 Å²	23	43.7 Å²	43.7	15%	0.149	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	146.1	173.2	20.2	-27.5	0	0	0	110	Y537 W550	Y537-P552 WeakPolarHBondContact CB-O 3.44Å; Y537-P552 HydrophobicContact CD2-CG 3.87Å; Y537-P552 WeakPolarHBondContact CD2-O 3.46Å; Y537-P552 HydrophobicContact CE1-CG 4.32Å; Y537-P552 HydrophobicContact CE2-CG 3.69Å; Y537-P552 HydrophobicContact CG-CG 4.3Å; W550-P552 HydrophobicContact CE3-CB 4.27Å; W550-P552 HydrophobicContact CE3-CG 4.48Å; W550-P552 HydrophobicContact CH2-CB 4.25Å; W550-P552 HydrophobicContact CH2-CG 4.4Å; W550-P552 HydrophobicContact CZ3-CB 3.51Å; W550-P552 HydrophobicContact CZ3-CG 3.89Å
553	L	98.3	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.6	171.9	-63.1	177.1	0	0	0	111.8	L461 V522 L561 A564 L566	L461-L553 HydrophobicContact CD2-CD1 3.52Å; V522-L553 HydrophobicContact CB-CD1 4.49Å; V522-L553 HydrophobicContact CG2-CD1 3.73Å; V522-L553 HydrophobicContact CG2-CD2 3.83Å; V522-L553 HydrophobicContact CG2-CG 4.47Å; L553-L561 HydrophobicContact CB-CB 4.31Å; L553-L561 HydrophobicContact CB-CD1 4.08Å; L553-L561 WeakPolarHBondContact O-CB 3.47Å; L553-L561 PolarHBondContact O-N 3.39Å; L553-A564 HydrophobicContact CB-CB 4.25Å; L553-A564 WeakPolarHBondContact CB-O 3.48Å; L553-A564 HydrophobicContact CD1-CB 4.16Å; L553-A564 PolarHBondContact N-O 3.4Å; L553-L566 HydrophobicContact CD2-CD1 4.38Å; L553-L566 HydrophobicContact CD2-CG 4.27Å
554	L	98.2	Very high	96.4	Very high	36 Å²	36	44.2 Å²	44.2	19%	0.188	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.9	173.7	-55	177.3	0	0	0	110.4	G535 Q536 Y537 C559 L561	G535-L554 CarbonylContact C-O 3.56Å; G535-L554 VanDerWaalsContact CA-O 3.24Å; G535-L554 WeakPolarHBondContact CA-O 3.43Å; Q536-L554 PolarHBondContact N-O 2.81Å; Q536-L554 WeakPolarHBondContact O-CA 3.45Å; Q536-L554 WeakPolarHBondContact O-CB 3.43Å; Q536-L554 PolarHBondContact O-N 3.34Å; Y537-L554 HydrophobicContact CD2-CD1 4.09Å; Y537-L554 HydrophobicContact CD2-CG 4.13Å; Y537-L554 HydrophobicContact CE2-CD1 4.41Å; L554-C559 CarbonylContact C-O 3.52Å; L554-C559 VanDerWaalsContact CA-O 3.26Å; L554-C559 WeakPolarHBondContact CA-O 3.1Å; L554-L561 VanDerWaalsContact C-CD1 3.42Å; L554-L561 WeakPolarHBondContact O-CD1 3.12Å
555	S	96.9	Very high	96.3	Very high	16 Å²	16	44.6 Å²	44.6	11%	0.112	24%	0.239	C	C	.	.			trans	-69.6	174.7	175.4	82.7	0	0	0	0	110.9	Q557 G558 C559	S555-Q557 PolarHBondContact O-N 3.37Å; S555-Q557 PolarHBondContact OG-N 2.85Å; S555-G558 PolarHBondContact O-N 2.89Å; S555-C559 PolarHBondContact N-O 2.83Å; S555-C559 PolarHBondContact OG-N 3.15Å
556	R	94.8	Very high	96.4	Very high	146 Å²	146	42.7 Å²	42.7	55%	0.551	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.3	175	-169	171	-157.6	173.9	6.1	112.3	P404 F533 G558	P404-R556 HydrophobicContact CB-CG 4.11Å; P404-R556 WeakPolarHBondContact CB-O 3.3Å; P404-R556 HydrophobicContact CG-CG 4.46Å; F533-R556 HydrophobicContact CD1-CB 4.18Å; F533-R556 HydrophobicContact CE1-CB 3.9Å; R556-G558 VanDerWaalsContact C-N 3.3Å
557	Q	92.1	Very high	96.4	Very high	100 Å²	100	39.5 Å²	39.5	47%	0.467	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.6	178.5	-68.4	72.4	26.3	0	0	112.9	S555	S555-Q557 PolarHBondContact O-N 3.37Å; S555-Q557 PolarHBondContact OG-N 2.85Å
558	G	92.9	Very high	96.4	Very high	25 Å²	25	39.5 Å²	39.5	26%	0.258	22%	0.217	S	C	.	.	S	Bend	trans	81.6	10.3	-176	0	0	0	0	0	114.3	S555 R556	S555-G558 PolarHBondContact O-N 2.89Å; R556-G558 VanDerWaalsContact C-N 3.3Å
559	C	94.8	Very high	96.4	Very high	72 Å²	72	40.2 Å²	40.2	49%	0.486	22%	0.222	S	C	.	.			trans	-80	149.2	177	-53.3	0	0	0	0	110.7	L554 S555 L561	L554-C559 CarbonylContact C-O 3.52Å; L554-C559 VanDerWaalsContact CA-O 3.26Å; L554-C559 WeakPolarHBondContact CA-O 3.1Å; S555-C559 PolarHBondContact N-O 2.83Å; S555-C559 PolarHBondContact OG-N 3.15Å; C559-L561 PolarHBondContact O-N 3.05Å
560	S	96.2	Very high	96.4	Very high	83 Å²	83	40.1 Å²	40.1	58%	0.58	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	136.6	173.7	-170.4	0	0	0	0	111.7	D562	S560-D562 WeakPolarHBondContact OG-CB 3.36Å; S560-D562 PolarHBondContact OG-N 3Å
561	L	96.4	Very high	96.4	Very high	41 Å²	41	40 Å²	40	22%	0.215	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	17.8	170.3	-64.6	171.7	0	0	0	112.1	P462 L553 L554 C559 A564	P462-L561 HydrophobicContact CG-CD1 4.04Å; P462-L561 HydrophobicContact CG-CD2 4.31Å; L553-L561 HydrophobicContact CB-CB 4.31Å; L553-L561 HydrophobicContact CB-CD1 4.08Å; L553-L561 WeakPolarHBondContact O-CB 3.47Å; L553-L561 PolarHBondContact O-N 3.39Å; L554-L561 VanDerWaalsContact C-CD1 3.42Å; L554-L561 WeakPolarHBondContact O-CD1 3.12Å; C559-L561 PolarHBondContact O-N 3.05Å; L561-A564 HydrophobicContact CB-CB 3.84Å; L561-A564 WeakPolarHBondContact O-CA 3.39Å; L561-A564 WeakPolarHBondContact O-CB 3.07Å; L561-A564 PolarHBondContact O-N 3.09Å
562	D	92.9	Very high	96.1	Very high	127 Å²	127	44.1 Å²	44.1	68%	0.679	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-42.9	130.6	177.8	-170.1	57.2	0	0	0	111.9	S560	S560-D562 WeakPolarHBondContact OG-CB 3.36Å; S560-D562 PolarHBondContact OG-N 3Å
563	P	92.9	Very high	96	Very high	75 Å²	75	45.2 Å²	45.2	49%	0.487	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-88.2	14.9	7.9	35.7	-35.4	0	0	0	116.2	N460 S565	N460-P563 HydrophobicContact CB-CG 3.91Å; P563-S565 PolarHBondContact O-N 3.09Å
564	A	95.8	Very high	95.9	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	123.7	-177.3	0	0	0	0	0	112.3	S459 N460 L553 L561	S459-A564 VanDerWaalsContact O-CA 3.31Å; S459-A564 WeakPolarHBondContact O-CA 3.36Å; N460-A564 WeakPolarHBondContact O-CB 3.43Å; L553-A564 HydrophobicContact CB-CB 4.25Å; L553-A564 WeakPolarHBondContact CB-O 3.48Å; L553-A564 HydrophobicContact CD1-CB 4.16Å; L553-A564 PolarHBondContact N-O 3.4Å; L561-A564 HydrophobicContact CB-CB 3.84Å; L561-A564 WeakPolarHBondContact O-CA 3.39Å; L561-A564 WeakPolarHBondContact O-CB 3.07Å; L561-A564 PolarHBondContact O-N 3.09Å
565	S	97.4	Very high	95.7	Very high	12 Å²	12	48.2 Å²	48.2	8%	0.084	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	166.2	-175.2	59.9	0	0	0	0	113.6	G458 S459 V551 P563	G458-S565 CarbonylContact C-O 3.56Å; G458-S565 VanDerWaalsContact CA-O 3.32Å; G458-S565 WeakPolarHBondContact CA-O 3.44Å; S459-S565 PolarHBondContact N-O 2.87Å; S459-S565 PolarHBondContact O-N 2.97Å; V551-S565 CarbonylContact O-C 3.49Å; V551-S565 WeakPolarHBondContact O-CA 3.4Å; V551-S565 VanDerWaalsContact O-CB 3.3Å; V551-S565 WeakPolarHBondContact O-CB 3.39Å; P563-S565 PolarHBondContact O-N 3.09Å
566	L	98.4	Very high	95.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	155.5	165.2	-57	172	0	0	0	110.2	S457 V474 W502 F520 V522 W550 V551 L553 V568	S457-L566 CarbonylContact O-C 3.58Å; S457-L566 WeakPolarHBondContact O-CA 3.21Å; V474-L566 HydrophobicContact CG1-CD1 3.76Å; V474-L566 HydrophobicContact CG2-CD1 4.15Å; V474-L566 HydrophobicContact CG2-CD2 3.74Å; W502-L566 HydrophobicContact CH2-CD2 4.06Å; W502-L566 HydrophobicContact CZ3-CD2 3.75Å; F520-L566 HydrophobicContact CB-CD1 4.03Å; F520-L566 HydrophobicContact CD1-CD1 4.23Å; V522-L566 HydrophobicContact CG2-CD1 4.03Å; V522-L566 HydrophobicContact CG2-CD2 3.8Å; V522-L566 HydrophobicContact CG2-CG 4.14Å; W550-L566 CarbonylContact C-O 3.56Å; W550-L566 WeakPolarHBondContact CA-O 3.32Å; V551-L566 HydrophobicContact CB-CB 4.04Å; V551-L566 HydrophobicContact CG2-CB 4.26Å; V551-L566 PolarHBondContact N-O 3.39Å; V551-L566 PolarHBondContact O-N 3.33Å; L553-L566 HydrophobicContact CD2-CD1 4.38Å; L553-L566 HydrophobicContact CD2-CG 4.27Å; L566-V568 HydrophobicContact CB-CG1 4.47Å
567	F	98.2	Very high	95.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129	169	-166.6	-122.7	0	0	0	110.3	R14 E16 I17 L20 M82 I456 S457 Y548 R549	R14-F567 VanDerWaalsContact NH2-CD2 3.28Å; E16-F567 HydrophobicContact CG-CD1 3.57Å; E16-F567 HydrophobicContact CG-CE1 3.67Å; I17-F567 HydrophobicContact CD1-CE2 4.46Å; I17-F567 HydrophobicContact CD1-CZ 4.43Å; I17-F567 HydrophobicContact CG1-CE1 4.18Å; I17-F567 HydrophobicContact CG1-CE2 4.46Å; I17-F567 HydrophobicContact CG1-CZ 3.95Å; L20-F567 HydrophobicContact CD1-CE1 4.19Å; L20-F567 HydrophobicContact CD1-CZ 3.99Å; M82-F567 HydrophobicContact CE-CE2 3.77Å; M82-F567 HydrophobicContact CE-CZ 3.7Å; I456-F567 HydrophobicContact CB-CD1 4.12Å; I456-F567 WeakPolarHBondContact CB-O 3.39Å; I456-F567 HydrophobicContact CD1-CD1 3.74Å; I456-F567 HydrophobicContact CD1-CE1 3.91Å; I456-F567 HydrophobicContact CG2-CD1 4.16Å; I456-F567 PolarHBondContact N-O 3.22Å; S457-F567 PolarHBondContact N-O 3.32Å; S457-F567 PolarHBondContact O-N 3.43Å; S457-F567 WeakPolarHBondContact OG-CB 3.17Å; Y548-F567 AromaticContact CD1-CE1 3.83Å; Y548-F567 HydrophobicContact CD1-CE1 3.83Å; Y548-F567 AromaticContact CD1-CZ 3.8Å; Y548-F567 HydrophobicContact CD1-CZ 3.8Å; Y548-F567 HydrophobicContact CG-CZ 4.17Å; R549-F567 WeakPolarHBondContact O-CD2 3.45Å
568	V	98.6	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.9	-171.5	-58.7	0	0	0	0	111.1	V89 L453 K454 F520 Y548 R549 V551 L566 V570	V89-V568 HydrophobicContact CG2-CG2 4.44Å; L453-V568 HydrophobicContact CD1-CB 4.05Å; L453-V568 HydrophobicContact CD1-CG2 4.42Å; K454-V568 CarbonylContact O-C 3.44Å; K454-V568 WeakPolarHBondContact O-CA 3.49Å; K454-V568 WeakPolarHBondContact O-CB 3.4Å; F520-V568 HydrophobicContact CE1-CG1 4.02Å; Y548-V568 CarbonylContact C-O 3.55Å; Y548-V568 WeakPolarHBondContact CA-O 3.25Å; R549-V568 HydrophobicContact CB-CG2 4.25Å; R549-V568 PolarHBondContact N-O 3.17Å; R549-V568 WeakPolarHBondContact O-CG2 3.42Å; R549-V568 PolarHBondContact O-N 2.95Å; V551-V568 HydrophobicContact CG2-CG1 4Å; V551-V568 HydrophobicContact CG2-CG2 3.81Å; L566-V568 HydrophobicContact CB-CG1 4.47Å; V568-V570 HydrophobicContact CG2-CG2 3.89Å
569	L	98.4	Very high	96.2	Very high	44 Å²	44	41.5 Å²	41.5	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.2	164.4	172.9	63.5	0	0	0	108.4	L453 K454 I456 G547 Y548	L453-L569 CarbonylContact C-O 3.54Å; L453-L569 WeakPolarHBondContact CA-O 3.48Å; K454-L569 HydrophobicContact CB-CB 4.13Å; K454-L569 PolarHBondContact N-O 3.29Å; K454-L569 PolarHBondContact O-N 3.27Å; I456-L569 HydrophobicContact CD1-CB 4.17Å; G547-L569 WeakPolarHBondContact O-CA 3.16Å; Y548-L569 HydrophobicContact CD1-CB 4.06Å; Y548-L569 HydrophobicContact CD1-CD1 4.19Å; Y548-L569 HydrophobicContact CD2-CD1 3.91Å; Y548-L569 HydrophobicContact CE1-CB 3.96Å; Y548-L569 HydrophobicContact CE1-CD1 4.15Å; Y548-L569 HydrophobicContact CE1-CD2 4.2Å; Y548-L569 HydrophobicContact CE1-CG 4.33Å; Y548-L569 HydrophobicContact CE2-CD1 3.85Å; Y548-L569 HydrophobicContact CG-CD1 4.07Å
570	V	98.3	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.4	-176.5	-179	0	0	0	0	110	L451 L453 L544 K545 K546 G547 V568 Y572	L451-V570 HydrophobicContact CD1-CG1 3.92Å; L453-V570 HydrophobicContact CD1-CG2 3.73Å; L544-V570 HydrophobicContact CD1-CG2 4.47Å; L544-V570 HydrophobicContact CD2-CG1 3.63Å; L544-V570 HydrophobicContact CG-CG1 3.93Å; K545-V570 WeakPolarHBondContact O-CB 3.39Å; K546-V570 CarbonylContact C-O 3.4Å; K546-V570 WeakPolarHBondContact CA-O 3.34Å; G547-V570 PolarHBondContact N-O 2.64Å; G547-V570 PolarHBondContact O-N 3.42Å; V568-V570 HydrophobicContact CG2-CG2 3.89Å; V570-Y572 HydrophobicContact CG1-CD1 3.98Å; V570-Y572 HydrophobicContact CG1-CE1 3.97Å
571	S	96.3	Very high	96.3	Very high	39 Å²	39	35.5 Å²	35.5	27%	0.273	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.9	167.1	60.9	0	0	0	0	111.3	V452	V452-S571 PolarHBondContact N-O 3.45Å; V452-S571 PolarHBondContact O-N 3.39Å
572	Y	92.1	Very high	96.3	Very high	86 Å²	86	35 Å²	35	34%	0.337	19%	0.192	S	C	.	.			trans	-166.8	0	177.1	57.6	-91.9	0	0	0	112.2	I449 Q450 L451 F541 L544 K546 V570	I449-Y572 HydrophobicContact CG2-CD2 4Å; I449-Y572 HydrophobicContact CG2-CG 4.27Å; Q450-Y572 WeakPolarHBondContact O-CA 3.44Å; L451-Y572 HydrophobicContact CD1-CD1 3.88Å; F541-Y572 HydrophobicContact CE1-CD2 4.15Å; F541-Y572 AromaticContact CE1-CE2 3.9Å; F541-Y572 HydrophobicContact CE1-CE2 3.9Å; F541-Y572 HydrophobicContact CZ-CD1 4.11Å; F541-Y572 AromaticContact CZ-CD2 3.92Å; F541-Y572 HydrophobicContact CZ-CD2 3.92Å; F541-Y572 HydrophobicContact CZ-CE1 4.21Å; F541-Y572 HydrophobicContact CZ-CE2 4.02Å; F541-Y572 AromaticContact CZ-CG 3.97Å; F541-Y572 HydrophobicContact CZ-CG 3.97Å; L544-Y572 HydrophobicContact CD2-CE1 4.1Å; L544-Y572 HydrophobicContact CG-CE1 4.49Å; L544-Y572 PolarHBondContact O-OH 3.48Å; K546-Y572 HydrophobicContact CD-CD1 4.49Å; K546-Y572 HydrophobicContact CD-CE1 4.36Å; K546-Y572 VanDerWaalsContact CE-CE2 3.44Å; K546-Y572 VanDerWaalsContact CE-O 3.24Å; K546-Y572 WeakPolarHBondContact CE-O 3.43Å; K546-Y572 HydrophobicContact CG-CD1 4.05Å; K546-Y572 HydrophobicContact CG-CE1 3.66Å; K546-Y572 PolarHBondContact NZ-O 3.18Å; V570-Y572 HydrophobicContact CG1-CD1 3.98Å; V570-Y572 HydrophobicContact CG1-CE1 3.97Å

Retrieved 572 of 572 residues in 1022.2 ms (Link to these results)

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