A0A087XPQ7_POEFO Loading...

Tripeptidyl-peptidase 1

Lysosomal serine protease with tripeptidyl-peptidase I activity. May act as a non-specific lysosomal peptidase which generates tripeptides from the breakdown products produced by lysosomal proteinases. Requires substrates with an unsubstituted N-terminus.

AlphaFold DB , UniProt , Accession A0A087XPQ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	36.8	Very low	233 Å²	233	152.1 Å²	152.1	100%	1.148	82%	0.823	S	S	*	*				0	101.7	0	-81	157.8	67.5	0	0	107.6
2	N	34.9	Very low	36.6	Very low	166 Å²	166	153.2 Å²	153.2	89%	0.888	83%	0.826	S	S	*	*			trans	-144.5	103.4	166.4	-103.8	-3.2	0	0	0	106.6
3	T	37.7	Very low	36.5	Very low	131 Å²	131	155.9 Å²	155.9	80%	0.804	83%	0.827	S	S	*	*			trans	-93.6	113.5	-178.3	-39.3	0	0	0	0	107.5
4	I	38.2	Very low	36.5	Very low	150 Å²	150	152 Å²	152	77%	0.769	82%	0.818	S	S	*	*			trans	-83.1	113.6	174.5	-65.8	172.9	0	0	0	107.7
5	L	37.9	Very low	36.8	Very low	165 Å²	165	147.9 Å²	147.9	86%	0.864	81%	0.806	S	S	*	*			trans	-78.8	115.7	168.4	-98	109.7	0	0	0	109.4
6	L	36.4	Very low	36.9	Very low	153 Å²	153	149.3 Å²	149.3	80%	0.801	81%	0.811	S	S	*	*			trans	-86.6	110.5	166	-87.8	148.3	0	0	0	108.7
7	S	33.9	Very low	37.8	Very low	104 Å²	104	145.6 Å²	145.6	73%	0.727	79%	0.794	S	S	*	*			trans	-83.9	118.5	171.7	101	0	0	0	0	109.3
8	F	34.7	Very low	39.2	Very low	198 Å²	198	141.9 Å²	141.9	87%	0.868	78%	0.781	S	S	*	*			trans	-80.8	113.7	168.2	-95.6	-93.5	0	0	0	109.2
9	V	38.2	Very low	41	Very low	113 Å²	113	137.8 Å²	137.8	69%	0.685	76%	0.763	S	S	*	*			trans	-86.9	122.1	166.9	179	0	0	0	0	107.5	L11	V9-L11 PolarHBondContact O-N 2.6Å
10	P	38	Very low	43	Very low	109 Å²	109	131.6 Å²	131.6	71%	0.708	73%	0.732	S	S	*	*			trans	-72.4	113.1	174.6	29.3	-30.8	0	0	0	108.8	L12	P10-L12 PolarHBondContact O-N 3.36Å
11	L	35.5	Very low	45.1	Very low	151 Å²	151	130.5 Å²	130.5	79%	0.791	72%	0.72	S	S	*	*			trans	-67.1	98.2	165.9	-92.7	130.3	0	0	0	108.4	V9 F13	V9-L11 PolarHBondContact O-N 2.6Å; L11-F13 PolarHBondContact O-N 3.04Å
12	L	34.9	Very low	47.4	Very low	165 Å²	165	119.9 Å²	119.9	86%	0.864	67%	0.668	S	S	*	*			trans	-62.4	98.4	160.2	-87.4	150.7	0	0	0	107.6	P10 S14	P10-L12 PolarHBondContact O-N 3.36Å; L12-S14 PolarHBondContact O-N 3.2Å
13	F	35	Very low	50.1	Low	189 Å²	189	112.4 Å²	112.4	83%	0.829	63%	0.627	S	S	*	*			trans	-64.3	89.6	161	-90.4	-91.1	0	0	0	107.6	L11 S15	L11-F13 PolarHBondContact O-N 3.04Å; F13-S15 VanDerWaalsContact C-N 3.29Å; F13-S15 PolarHBondContact O-N 2.65Å
14	S	36.6	Very low	52.5	Low	101 Å²	101	115.3 Å²	115.3	71%	0.706	63%	0.625	S	S	*	*			trans	-66.7	99.5	155.1	64.7	0	0	0	0	105.9	L12 L16	L12-S14 PolarHBondContact O-N 3.2Å; S14-L16 PolarHBondContact O-N 2.96Å
15	S	40.3	Very low	55	Low	91 Å²	91	111.2 Å²	111.2	64%	0.636	60%	0.604	S	S	*	*			trans	-58	110	161.8	52.8	0	0	0	0	105.4	F13 V17	F13-S15 VanDerWaalsContact C-N 3.29Å; F13-S15 PolarHBondContact O-N 2.65Å; S15-V17 WeakPolarHBondContact O-CG2 3.22Å; S15-V17 PolarHBondContact O-N 3.45Å
16	L	39.1	Very low	57.5	Low	170 Å²	170	104 Å²	104	89%	0.89	57%	0.567	S	S	*	*			trans	-58.3	93	164.5	-84.8	151.3	0	0	0	106.1	S14 S18	S14-L16 PolarHBondContact O-N 2.96Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3.03Å
17	V	51.7	Low	59.8	Low	86 Å²	86	100.4 Å²	100.4	52%	0.521	55%	0.548	S	S	.	.			trans	-70.9	98.4	175.6	-173.3	0	0	0	0	105.5	S15 S19 H157	S15-V17 WeakPolarHBondContact O-CG2 3.22Å; S15-V17 PolarHBondContact O-N 3.45Å; V17-S19 PolarHBondContact O-N 3.47Å; V17-H157 HydrophobicContact CG1-CB 4.42Å; V17-H157 WeakPolarHBondContact CG1-ND1 3.36Å
18	S	63.5	Low	62.3	Low	80 Å²	80	97.2 Å²	97.2	56%	0.559	52%	0.524	S	S	*	.			trans	-60.3	126.7	174.4	-174	0	0	0	0	108.6	L16 N158	L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3.03Å; S18-N158 VanDerWaalsContact O-CB 3.27Å; S18-N158 WeakPolarHBondContact O-CB 3.35Å; S18-N158 PolarHBondContact O-N 3.45Å; S18-N158 VanDerWaalsContact O-N 3.1Å
19	S	73.7	Confident	64.5	Low	63 Å²	63	94 Å²	94	44%	0.441	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.9	175.3	54.8	0	0	0	0	109.4	V17	V17-S19 PolarHBondContact O-N 3.47Å
20	G	80.8	Confident	66.5	Low	13 Å²	13	90.3 Å²	90.3	13%	0.134	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.2	173.6	0	0	0	0	0	110.7	S155 V156	G20-S155 WeakPolarHBondContact O-CA 3.31Å; G20-S155 WeakPolarHBondContact O-CB 3.35Å; G20-V156 PolarHBondContact N-O 3.39Å; G20-V156 PolarHBondContact O-N 2.7Å
21	F	86.6	Confident	68.4	Low	110 Å²	110	88 Å²	88	48%	0.482	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.5	168	-73.2	-89.3	0	0	0	109.3	P153 Y154 H161	F21-P153 HydrophobicContact CD1-CB 4.21Å; F21-P153 HydrophobicContact CE1-CB 4.21Å; F21-Y154 VanDerWaalsContact CD1-O 3.22Å; F21-Y154 WeakPolarHBondContact CD1-O 3.29Å; F21-H161 PolarHBondContact O-NE2 2.91Å
22	L	88.6	Confident	70.4	Confident	10 Å²	10	90.6 Å²	90.6	5%	0.052	48%	0.483	C	S	.	.	S	Bend	trans	-92.3	145.4	161.6	-66.8	171.8	0	0	0	106.9	Y24 Y154 V156 L164	L22-Y24 PolarHBondContact O-N 3.23Å; L22-Y154 HydrophobicContact CB-CE1 4.5Å; L22-Y154 HydrophobicContact CB-CE2 3.75Å; L22-Y154 WeakPolarHBondContact CB-OH 2.97Å; L22-Y154 HydrophobicContact CD1-CE2 3.9Å; L22-Y154 HydrophobicContact CG-CE2 4.36Å; L22-V156 HydrophobicContact CD1-CG1 3.97Å; L22-V156 HydrophobicContact CD1-CG2 3.75Å; L22-V156 HydrophobicContact CG-CG2 4Å; L22-L164 HydrophobicContact CD1-CB 3.96Å; L22-L164 HydrophobicContact CD1-CD1 4.29Å
23	E	90.6	Very high	72.7	Confident	9 Å²	9	85.2 Å²	85.2	4%	0.042	46%	0.456	C	S	.	.	S	Bend	trans	54.2	43.3	174.2	-50.7	-175.4	91.1	0	0	115.2	D25 Q26 Y154 F166 R172 S327 A329	E23-D25 PolarHBondContact O-N 2.9Å; E23-Q26 HydrophobicContact CB-CB 3.92Å; E23-Q26 WeakPolarHBondContact O-CB 3.38Å; E23-Q26 PolarHBondContact O-N 2.95Å; E23-Y154 HydrophobicContact CB-CE1 4.44Å; E23-Y154 WeakPolarHBondContact OE2-CE1 3.38Å; E23-Y154 PolarHBondContact OE2-OH 2.74Å; E23-F166 HydrophobicContact CG-CB 3.63Å; E23-F166 WeakPolarHBondContact OE2-CB 3.37Å; E23-R172 IonicContact OE1-CZ 2.71Å; E23-R172 IonicContact OE1-NH1 3.67Å; E23-R172 PolarHBondContact OE1-NH1 3.24Å; E23-R172 IonicContact OE1-NH2 2.68Å; E23-S327 PolarHBondContact OE1-OG 3.31Å; E23-A329 HydrophobicContact CG-CB 4.36Å
24	Y	89.1	Confident	75.1	Confident	192 Å²	192	77.1 Å²	77.1	75%	0.753	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.3	-177.6	69.2	-92.2	0	0	0	114.1	L22	L22-Y24 PolarHBondContact O-N 3.23Å
25	D	90.3	Very high	77.7	Confident	63 Å²	63	77 Å²	77	34%	0.337	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.9	179.6	61.4	-27.8	0	0	0	113.4	E23 N27 S327 A328	E23-D25 PolarHBondContact O-N 2.9Å; D25-N27 PolarHBondContact O-N 3.07Å; D25-S327 WeakPolarHBondContact OD1-CA 3.38Å; D25-S327 WeakPolarHBondContact OD1-CB 3.34Å; D25-A328 WeakPolarHBondContact OD2-CB 3.42Å; D25-A328 PolarHBondContact OD2-N 3.26Å
26	Q	90.6	Very high	80.2	Confident	15 Å²	15	77.8 Å²	77.8	7%	0.07	41%	0.408	C	S	.	.	S	Bend	trans	-65.4	128.6	173	180	55.6	63.3	0	0	109.8	E23 V28 H171 R172 S325 S327	E23-Q26 HydrophobicContact CB-CB 3.92Å; E23-Q26 WeakPolarHBondContact O-CB 3.38Å; E23-Q26 PolarHBondContact O-N 2.95Å; Q26-V28 PolarHBondContact O-N 2.84Å; Q26-V28 VanDerWaalsContact O-N 3.16Å; Q26-H171 HydrophobicContact CG-CB 3.57Å; Q26-R172 VanDerWaalsContact OE1-NH1 3.11Å; Q26-S325 PolarHBondContact NE2-O 3.44Å; Q26-S327 VanDerWaalsContact OE1-N 3.09Å
27	N	84.1	Confident	82.7	Confident	77 Å²	77	72.9 Å²	72.9	41%	0.412	39%	0.393	S	S	.	.			trans	-65.8	119.2	172	-169.7	2.1	0	0	0	109.9	D25 I29	D25-N27 PolarHBondContact O-N 3.07Å; N27-I29 WeakPolarHBondContact OD1-CB 3.03Å; N27-I29 PolarHBondContact OD1-N 2.92Å; N27-I29 PolarHBondContact OD1-O 3.24Å
28	V	86	Confident	84.8	Confident	36 Å²	36	70.1 Å²	70.1	22%	0.218	38%	0.381	C	S	.	.			trans	-97.7	-9	175.9	-59.4	0	0	0	0	112.4	Q26 L30 P153	Q26-V28 PolarHBondContact O-N 2.84Å; Q26-V28 VanDerWaalsContact O-N 3.16Å; V28-L30 PolarHBondContact O-N 3.35Å; V28-P153 HydrophobicContact CG1-CG 4.21Å
29	I	81.6	Confident	86.3	Confident	132 Å²	132	71.6 Å²	71.6	68%	0.677	38%	0.375	S	S	*	.	S	Bend	trans	-79.1	119.3	175	-56.6	176.2	0	0	0	107.5	N27	N27-I29 WeakPolarHBondContact OD1-CB 3.03Å; N27-I29 PolarHBondContact OD1-N 2.92Å; N27-I29 PolarHBondContact OD1-O 3.24Å
30	L	79.6	Confident	87.4	Confident	35 Å²	35	69 Å²	69	18%	0.183	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-72	148.8	177.1	-68.2	-174.5	0	0	0	112	V28 W34 Y140 V173	V28-L30 PolarHBondContact O-N 3.35Å; L30-W34 HydrophobicContact CB-CB 4.38Å; L30-W34 HydrophobicContact CD1-CB 4.33Å; L30-Y140 HydrophobicContact CD1-CD1 3.14Å; L30-Y140 HydrophobicContact CD1-CD2 3.48Å; L30-Y140 VanDerWaalsContact CD1-CD2 3.48Å; L30-Y140 HydrophobicContact CD1-CE1 3.25Å; L30-Y140 HydrophobicContact CD1-CE2 3.57Å; L30-Y140 HydrophobicContact CD1-CG 3.24Å; L30-Y140 VanDerWaalsContact CD1-CZ 3.44Å; L30-Y140 HydrophobicContact CG-CE1 4.38Å; L30-V173 HydrophobicContact CD2-CG1 3.24Å
31	P	79	Confident	88.2	Confident	59 Å²	59	72.6 Å²	72.6	38%	0.383	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-53.9	147.6	170.4	-27.2	37	0	0	0	112.5	D33 W34 V173	P31-D33 WeakPolarHBondContact CB-OD1 3.33Å; P31-D33 PolarHBondContact O-N 3.34Å; P31-W34 PolarHBondContact O-N 2.7Å; P31-V173 HydrophobicContact CG-CG2 4.16Å
32	Q	77.4	Confident	88.6	Confident	206 Å²	206	70.8 Å²	70.8	96%	0.963	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.3	-173.7	-70.1	-175.4	-13.5	0	0	114.6	W34	Q32-W34 VanDerWaalsContact C-N 3.32Å
33	D	81.6	Confident	89	Confident	53 Å²	53	74.4 Å²	74.4	28%	0.283	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.9	178.4	59.5	-48.5	0	0	0	114	P31 R142	P31-D33 WeakPolarHBondContact CB-OD1 3.33Å; P31-D33 PolarHBondContact O-N 3.34Å; D33-R142 WeakPolarHBondContact OD2-CD 3.37Å; D33-R142 IonicContact OD2-CZ 3.35Å; D33-R142 IonicContact OD2-NE 3.86Å; D33-R142 IonicContact OD2-NH1 2.64Å; D33-R142 PolarHBondContact OD2-NH1 2.83Å
34	W	87.1	Confident	89.3	Confident	19 Å²	19	76.5 Å²	76.5	7%	0.072	41%	0.407	C	S	.	.			trans	-94	129.1	172.6	-74.5	91.2	0	0	0	111.3	L30 P31 Q32 R142 I147 V173	L30-W34 HydrophobicContact CB-CB 4.38Å; L30-W34 HydrophobicContact CD1-CB 4.33Å; P31-W34 PolarHBondContact O-N 2.7Å; Q32-W34 VanDerWaalsContact C-N 3.32Å; W34-R142 HydrophobicContact CD2-CB 3.73Å; W34-R142 HydrophobicContact CE3-CB 3.57Å; W34-R142 HydrophobicContact CG-CB 4.42Å; W34-R142 HydrophobicContact CH2-CB 3.92Å; W34-R142 HydrophobicContact CZ2-CB 4.07Å; W34-R142 VanDerWaalsContact CZ2-CZ 3.48Å; W34-R142 HydrophobicContact CZ3-CB 3.66Å; W34-I147 HydrophobicContact CD2-CD1 4.17Å; W34-I147 HydrophobicContact CE3-CD1 3.97Å; W34-I147 HydrophobicContact CE3-CG1 4Å; W34-I147 HydrophobicContact CH2-CB 4.35Å; W34-I147 HydrophobicContact CH2-CD1 3.63Å; W34-I147 HydrophobicContact CH2-CG1 3.81Å; W34-I147 HydrophobicContact CH2-CG2 3.71Å; W34-I147 HydrophobicContact CZ2-CD1 3.81Å; W34-I147 HydrophobicContact CZ2-CG1 4.48Å; W34-I147 HydrophobicContact CZ3-CB 4.33Å; W34-I147 HydrophobicContact CZ3-CD1 3.72Å; W34-I147 HydrophobicContact CZ3-CG1 3.54Å; W34-I147 HydrophobicContact CZ3-CG2 4.12Å; W34-V173 HydrophobicContact CZ2-CB 4.48Å
35	T	90.9	Very high	89.5	Confident	98 Å²	98	72.8 Å²	72.8	60%	0.601	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.3	175.3	-56.1	0	0	0	0	110.3	A37 Y140 V141	T35-A37 PolarHBondContact O-N 3Å; T35-Y140 CarbonylContact O-C 3.51Å; T35-Y140 VanDerWaalsContact O-CA 3.28Å; T35-Y140 WeakPolarHBondContact O-CA 3.35Å; T35-V141 PolarHBondContact N-O 2.75Å; T35-V141 PolarHBondContact O-N 3.35Å
36	Q	92.3	Very high	89.6	Confident	107 Å²	107	69.8 Å²	69.8	50%	0.5	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	110.7	172.7	-170.4	173.3	-45.1	0	0	110.1	H138 Y140	Q36-H138 HydrophobicContact CG-CB 4.18Å; Q36-H138 PolarHBondContact NE2-CD2 3.1Å; Q36-H138 PolarHBondContact NE2-NE2 3.05Å; Q36-Y140 HydrophobicContact CB-CD1 3.8Å; Q36-Y140 HydrophobicContact CB-CE1 3.56Å; Q36-Y140 HydrophobicContact CG-CD1 4.1Å; Q36-Y140 HydrophobicContact CG-CE1 3.59Å
37	A	92.7	Very high	89.7	Confident	68 Å²	68	72 Å²	72	56%	0.562	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-30.8	179.6	0	0	0	0	0	112.4	T35 R139 V141	T35-A37 PolarHBondContact O-N 3Å; A37-R139 HydrophobicContact CB-CB 4.36Å; A37-R139 HydrophobicContact CB-CG 4.48Å; A37-R139 PolarHBondContact N-O 3.39Å; A37-V141 HydrophobicContact CB-CG2 3.89Å
38	G	94.3	Very high	90.2	Very high	27 Å²	27	68.3 Å²	68.3	28%	0.278	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	154.6	-177	177.1	0	0	0	0	0	113.8	H138 R139	G38-H138 CarbonylContact O-C 3.58Å; G38-H138 WeakPolarHBondContact O-CA 3.49Å; G38-H138 WeakPolarHBondContact O-CB 3.32Å; G38-H138 PolarHBondContact O-CD2 3.42Å; G38-R139 PolarHBondContact O-N 3.45Å
39	R	96.3	Very high	90.7	Very high	112 Å²	112	67.1 Å²	67.1	42%	0.423	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138.9	176.1	-168.1	63.8	168.1	132.3	4.3	110.4	E129 R136 F137	R39-E129 IonicContact CZ-OE1 2.65Å; R39-E129 IonicContact CZ-OE2 3.57Å; R39-E129 IonicContact NH1-OE1 3.79Å; R39-E129 PolarHBondContact NH1-OE1 3.4Å; R39-E129 IonicContact NH2-OE1 3.54Å; R39-E129 PolarHBondContact NH2-OE1 2.92Å; R39-E129 IonicContact NH2-OE2 3.22Å; R39-E129 PolarHBondContact NH2-OE2 3.5Å; R39-R136 VanDerWaalsContact NH1-CA 3.3Å; R39-F137 VanDerWaalsContact NH1-C 3.29Å; R39-F137 PolarHBondContact NH1-O 2.73Å
40	V	95.8	Very high	91.5	Very high	9 Å²	9	60.9 Å²	60.9	6%	0.055	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-72.5	143.3	175	170.5	0	0	0	0	110.3	E44 L46 A125 F137 R139 V148	V40-E44 HydrophobicContact CG1-CB 3.71Å; V40-E44 HydrophobicContact CG1-CG 4.18Å; V40-E44 WeakPolarHBondContact CG1-OE2 3.27Å; V40-L46 HydrophobicContact CG1-CD2 4.42Å; V40-A125 HydrophobicContact CG1-CB 3.81Å; V40-F137 HydrophobicContact CB-CB 4.24Å; V40-F137 HydrophobicContact CG2-CB 4.24Å; V40-F137 PolarHBondContact N-O 2.95Å; V40-R139 HydrophobicContact CG2-CB 4.41Å; V40-V148 HydrophobicContact CG2-CB 4.35Å; V40-V148 HydrophobicContact CG2-CG1 3.72Å; V40-V148 HydrophobicContact CG2-CG2 3.74Å
41	D	96.8	Very high	92.4	Very high	88 Å²	88	59.2 Å²	59.2	47%	0.471	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-63.9	134.7	176.8	-173.5	-78.4	0	0	0	109.8	S43 E44	D41-S43 PolarHBondContact O-N 2.04Å; D41-S43 WeakPolarHBondContact OD1-CB 3.25Å; D41-S43 PolarHBondContact OD1-N 3.5Å; D41-S43 PolarHBondContact OD1-OG 2.95Å; D41-E44 HydrophobicContact CB-CB 4.28Å; D41-E44 VanDerWaalsContact O-CB 3.27Å; D41-E44 WeakPolarHBondContact O-CB 3.38Å; D41-E44 PolarHBondContact O-N 3.31Å
42	P	97.1	Very high	93.3	Very high	72 Å²	72	56.4 Å²	56.4	47%	0.468	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.8	-178.5	-26.6	34.9	0	0	0	114.2	T124 A125 E126	P42-T124 WeakPolarHBondContact O-CB 3.34Å; P42-A125 PolarHBondContact O-N 2.79Å; P42-E126 HydrophobicContact CB-CB 3.96Å; P42-E126 WeakPolarHBondContact O-CB 3.37Å; P42-E126 PolarHBondContact O-N 3.24Å
43	S	96.9	Very high	94.3	Very high	85 Å²	85	50.2 Å²	50.2	59%	0.594	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-6	179.7	71.3	0	0	0	0	114.3	D41	D41-S43 PolarHBondContact O-N 2.04Å; D41-S43 WeakPolarHBondContact OD1-CB 3.25Å; D41-S43 PolarHBondContact OD1-N 3.5Å; D41-S43 PolarHBondContact OD1-OG 2.95Å
44	E	95.2	Very high	95.1	Very high	54 Å²	54	48.9 Å²	48.9	25%	0.252	27%	0.267	S	S	.	.			trans	-65.2	136	179.3	-170.2	172	160.6	0	0	111	V40 D41 T124 A125 R139	V40-E44 HydrophobicContact CG1-CB 3.71Å; V40-E44 HydrophobicContact CG1-CG 4.18Å; V40-E44 WeakPolarHBondContact CG1-OE2 3.27Å; D41-E44 HydrophobicContact CB-CB 4.28Å; D41-E44 VanDerWaalsContact O-CB 3.27Å; D41-E44 WeakPolarHBondContact O-CB 3.38Å; D41-E44 PolarHBondContact O-N 3.31Å; E44-T124 CarbonylContact O-C 3.54Å; E44-T124 WeakPolarHBondContact O-CA 3.24Å; E44-A125 PolarHBondContact O-N 3.43Å; E44-R139 IonicContact OE1-CZ 3.91Å; E44-R139 IonicContact OE1-NH1 3.42Å; E44-R139 IonicContact OE1-NH2 2.7Å; E44-R139 PolarHBondContact OE1-NH2 2.98Å; E44-R139 IonicContact OE2-CZ 2.67Å; E44-R139 IonicContact OE2-NH2 3.74Å; E44-R139 PolarHBondContact OE2-NH2 2.97Å
45	Q	93.9	Very high	95.6	Very high	114 Å²	114	51.9 Å²	51.9	53%	0.533	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	131.1	-178.7	-68.7	-74.6	76.7	0	0	111.5	T123	Q45-T123 CarbonylContact C-O 3.42Å; Q45-T123 WeakPolarHBondContact CA-O 3.43Å; Q45-T123 PolarHBondContact OE1-O 3.17Å
46	L	93	Very high	96	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.1	175.9	-50.8	-173.5	0	0	0	109.5	V40 S122 T123 A125 A128 F137 V148 T294	V40-L46 HydrophobicContact CG1-CD2 4.42Å; L46-S122 WeakPolarHBondContact O-CA 3.34Å; L46-T123 PolarHBondContact N-O 2.76Å; L46-T123 PolarHBondContact O-N 2.9Å; L46-A125 HydrophobicContact CD1-CB 3.89Å; L46-A125 HydrophobicContact CD2-CB 4.45Å; L46-A125 HydrophobicContact CG-CB 4.19Å; L46-A128 HydrophobicContact CD1-CB 3.91Å; L46-F137 HydrophobicContact CD1-CD1 3.98Å; L46-F137 HydrophobicContact CD1-CD2 3.64Å; L46-F137 HydrophobicContact CD1-CE1 4.02Å; L46-F137 HydrophobicContact CD1-CE2 3.71Å; L46-F137 HydrophobicContact CD1-CG 3.78Å; L46-F137 HydrophobicContact CD1-CZ 3.89Å; L46-V148 HydrophobicContact CD2-CG1 3.84Å; L46-T294 HydrophobicContact CB-CG2 3.9Å; L46-T294 HydrophobicContact CD2-CG2 3.5Å; L46-T294 VanDerWaalsContact CD2-CG2 3.5Å; L46-T294 HydrophobicContact CG-CG2 4.19Å
47	E	92.9	Very high	96.3	Very high	60 Å²	60	47.8 Å²	47.8	28%	0.28	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.1	170.5	-68.1	-65.7	150.2	0	0	108.4	S122 T294 Q295	E47-S122 WeakPolarHBondContact OE1-CB 3.48Å; E47-S122 PolarHBondContact OE1-OG 3.37Å; E47-T294 PolarHBondContact N-OG1 3.45Å; E47-T294 PolarHBondContact O-OG1 3.18Å; E47-Q295 HydrophobicContact CB-CG 4.29Å
48	L	94.9	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140	-179.6	-59.7	-177.4	0	0	0	110.4	F50 Q120 C121 T123 A128 L132 F137 V167 L170	L48-F50 HydrophobicContact CB-CE2 3.89Å; L48-F50 HydrophobicContact CB-CZ 4.16Å; L48-F50 HydrophobicContact CD1-CZ 4.35Å; L48-Q120 WeakPolarHBondContact O-CA 3.33Å; L48-C121 PolarHBondContact N-O 3.42Å; L48-C121 PolarHBondContact O-N 3.4Å; L48-T123 HydrophobicContact CD1-CG2 4.39Å; L48-A128 HydrophobicContact CD1-CB 3.97Å; L48-L132 HydrophobicContact CD1-CD1 4.04Å; L48-F137 HydrophobicContact CD2-CZ 4.34Å; L48-V167 HydrophobicContact CB-CG1 4.14Å; L48-V167 HydrophobicContact CD1-CG1 4.48Å; L48-L170 HydrophobicContact CD2-CD1 3.83Å
49	T	96.1	Very high	96.7	Very high	11 Å²	11	52.3 Å²	52.3	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	109.1	178.1	-63	0	0	0	0	110.2	F118 L119 Q120 V167 G168 L299 V303	T49-F118 HydrophobicContact CG2-CD1 3.8Å; T49-F118 HydrophobicContact CG2-CE1 4.46Å; T49-L119 CarbonylContact C-O 3.57Å; T49-L119 WeakPolarHBondContact CA-O 3.37Å; T49-Q120 HydrophobicContact CG2-CG 4.29Å; T49-Q120 PolarHBondContact OG1-NE2 3.01Å; T49-V167 CarbonylContact O-C 3.42Å; T49-V167 WeakPolarHBondContact O-CA 3.38Å; T49-G168 PolarHBondContact N-O 3.39Å; T49-G168 VanDerWaalsContact N-O 3.14Å; T49-G168 PolarHBondContact O-N 2.92Å; T49-L299 HydrophobicContact CG2-CD2 4.12Å; T49-V303 HydrophobicContact CG2-CG2 4.21Å
50	F	97.6	Very high	96.9	Very high	1 Å²	1	47 Å²	47	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.3	177.2	-59.3	-94	0	0	0	109.6	L48 L52 W101 L102 F118 L119 C121 L131 L164 V167	L48-F50 HydrophobicContact CB-CE2 3.89Å; L48-F50 HydrophobicContact CB-CZ 4.16Å; L48-F50 HydrophobicContact CD1-CZ 4.35Å; F50-L52 HydrophobicContact CB-CD1 4.08Å; F50-L52 VanDerWaalsContact O-CD1 3.26Å; F50-L52 WeakPolarHBondContact O-CD1 3.47Å; F50-W101 HydrophobicContact CD1-CH2 4.36Å; F50-W101 AromaticContact CD1-CZ3 3.91Å; F50-W101 HydrophobicContact CD1-CZ3 3.91Å; F50-W101 AromaticContact CE1-CH2 3.84Å; F50-W101 HydrophobicContact CE1-CH2 3.84Å; F50-W101 AromaticContact CE1-CZ3 3.69Å; F50-W101 HydrophobicContact CE1-CZ3 3.69Å; F50-L102 HydrophobicContact CD1-CD2 4.49Å; F50-L102 HydrophobicContact CD2-CD2 4.41Å; F50-L102 HydrophobicContact CE1-CD2 3.96Å; F50-L102 HydrophobicContact CE2-CD2 3.88Å; F50-L102 HydrophobicContact CZ-CD2 3.63Å; F50-F118 WeakPolarHBondContact O-CA 3.3Å; F50-L119 HydrophobicContact CB-CB 4.3Å; F50-L119 PolarHBondContact N-O 3.03Å; F50-L119 PolarHBondContact O-N 2.9Å; F50-C121 HydrophobicContact CD2-CB 4.47Å; F50-C121 HydrophobicContact CE2-CB 4.02Å; F50-L131 HydrophobicContact CE1-CD2 3.9Å; F50-L131 HydrophobicContact CZ-CD2 3.63Å; F50-L164 HydrophobicContact CB-CD2 4.13Å; F50-L164 HydrophobicContact CD1-CD1 4.2Å; F50-V167 HydrophobicContact CD1-CB 4.48Å; F50-V167 HydrophobicContact CD1-CG1 4.02Å; F50-V167 HydrophobicContact CD1-CG2 3.69Å; F50-V167 HydrophobicContact CE1-CG1 3.87Å; F50-V167 HydrophobicContact CE1-CG2 3.87Å; F50-V167 HydrophobicContact CZ-CG1 4.23Å
51	A	98.1	Very high	97	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	104.1	176.4	0	0	0	0	0	108.7	F118 L164 D165 F166	A51-F118 HydrophobicContact CB-CD1 4.09Å; A51-F118 HydrophobicContact CB-CE1 3.76Å; A51-L164 CarbonylContact O-C 3.51Å; A51-L164 WeakPolarHBondContact O-CA 3.38Å; A51-D165 HydrophobicContact CB-CB 4.27Å; A51-D165 PolarHBondContact O-N 3.3Å; A51-F166 HydrophobicContact CB-CD1 3.8Å; A51-F166 HydrophobicContact CB-CD2 4.24Å; A51-F166 HydrophobicContact CB-CE1 3.72Å; A51-F166 HydrophobicContact CB-CE2 4.14Å; A51-F166 HydrophobicContact CB-CG 4.05Å; A51-F166 HydrophobicContact CB-CZ 3.87Å; A51-F166 WeakPolarHBondContact CB-O 3.36Å; A51-F166 PolarHBondContact N-O 3.33Å
52	L	98.5	Very high	97.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	145	-177.2	-78	63.4	0	0	0	109.9	F50 Q54 P90 T94 V98 D117 L119 L164 R333	F50-L52 HydrophobicContact CB-CD1 4.08Å; F50-L52 VanDerWaalsContact O-CD1 3.26Å; F50-L52 WeakPolarHBondContact O-CD1 3.47Å; L52-Q54 PolarHBondContact O-N 2.97Å; L52-P90 HydrophobicContact CB-CB 4.23Å; L52-P90 HydrophobicContact CB-CG 3.65Å; L52-P90 HydrophobicContact CD2-CB 4.45Å; L52-P90 HydrophobicContact CD2-CG 4.15Å; L52-T94 HydrophobicContact CB-CG2 4.12Å; L52-T94 HydrophobicContact CD2-CG2 4.23Å; L52-T94 HydrophobicContact CG-CG2 4.28Å; L52-V98 HydrophobicContact CD1-CG1 4.31Å; L52-V98 HydrophobicContact CG-CG1 4.42Å; L52-V98 HydrophobicContact CG-CG2 4.37Å; L52-D117 PolarHBondContact N-O 3.02Å; L52-L119 HydrophobicContact CD1-CB 4.18Å; L52-L119 HydrophobicContact CD1-CD1 3.97Å; L52-L119 HydrophobicContact CD1-CG 3.89Å; L52-L119 HydrophobicContact CD2-CD1 4.07Å; L52-L119 HydrophobicContact CD2-CG 4.32Å; L52-L164 HydrophobicContact CD1-CD2 4.07Å; L52-L164 HydrophobicContact CG-CD2 4.24Å; L52-R333 PolarHBondContact O-NH1 3.18Å
53	K	98.1	Very high	97.1	Very high	76 Å²	76	48.1 Å²	48.1	33%	0.33	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-61.3	123.3	177.3	-70.4	-149	-172.2	164.1	0	111.7	P90 Q162 H163 L164 D165	K53-P90 WeakPolarHBondContact O-CB 3.45Å; K53-Q162 WeakPolarHBondContact CD-O 3.31Å; K53-Q162 WeakPolarHBondContact CE-O 3.2Å; K53-Q162 PolarHBondContact NZ-O 2.91Å; K53-Q162 VanDerWaalsContact NZ-O 3.12Å; K53-H163 PolarHBondContact N-O 2.68Å; K53-L164 WeakPolarHBondContact CE-O 3.22Å; K53-D165 WeakPolarHBondContact CG-OD1 3.48Å
54	Q	98.5	Very high	97.2	Very high	25 Å²	25	44.3 Å²	44.3	12%	0.117	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-78.2	160.6	177.4	-68.6	162.8	-54.6	0	0	111.6	L52 V57 V88 D117 R333 E337	L52-Q54 PolarHBondContact O-N 2.97Å; Q54-V57 HydrophobicContact CB-CG2 3.98Å; Q54-V88 WeakPolarHBondContact CA-O 3.32Å; Q54-V88 HydrophobicContact CB-CB 4.48Å; Q54-V88 WeakPolarHBondContact CB-O 3.36Å; Q54-D117 HydrophobicContact CG-CB 3.77Å; Q54-D117 PolarHBondContact NE2-OD2 2.91Å; Q54-R333 VanDerWaalsContact OE1-CD 3.26Å; Q54-E337 PolarHBondContact NE2-OE1 2.91Å
55	Q	98.4	Very high	97.3	Very high	81 Å²	81	47.7 Å²	47.7	38%	0.379	23%	0.23	S	C	.	.	S	Bend	trans	-103.8	160.3	171.3	-60	-168.6	-101.3	0	0	110.6	V57 V88 R89	Q55-V57 VanDerWaalsContact C-N 3.27Å; Q55-V57 PolarHBondContact O-N 3.02Å; Q55-V57 VanDerWaalsContact O-N 3.12Å; Q55-V88 PolarHBondContact N-O 2.71Å; Q55-V88 WeakPolarHBondContact O-CA 3.36Å; Q55-R89 WeakPolarHBondContact CG-O 3.19Å; Q55-R89 PolarHBondContact OE1-O 3.08Å
56	N	98.6	Very high	97.5	Very high	75 Å²	75	47.3 Å²	47.3	40%	0.401	22%	0.223	S	C	.	.			trans	54	35.6	167.1	-47.2	-36.3	0	0	0	115.1	D58 L59 L60 L87	N56-D58 VanDerWaalsContact C-N 3.26Å; N56-D58 WeakPolarHBondContact CA-OD1 3.47Å; N56-D58 PolarHBondContact O-N 3.08Å; N56-L59 HydrophobicContact CB-CB 4.14Å; N56-L59 PolarHBondContact O-N 2.86Å; N56-L60 PolarHBondContact O-N 2.94Å; N56-L87 HydrophobicContact CB-CD1 3.78Å; N56-L87 HydrophobicContact CB-CG 4.45Å; N56-L87 WeakPolarHBondContact CB-O 2.9Å; N56-L87 PolarHBondContact ND2-O 2.89Å
57	V	98.4	Very high	97.8	Very high	45 Å²	45	47.5 Å²	47.5	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-65	-33.3	-178.7	179.4	0	0	0	0	111.5	Q54 Q55 L60 E61 T336 M339	Q54-V57 HydrophobicContact CB-CG2 3.98Å; Q55-V57 VanDerWaalsContact C-N 3.27Å; Q55-V57 PolarHBondContact O-N 3.02Å; Q55-V57 VanDerWaalsContact O-N 3.12Å; V57-L60 WeakPolarHBondContact O-CB 3.05Å; V57-L60 PolarHBondContact O-N 2.73Å; V57-E61 PolarHBondContact O-N 3.42Å; V57-T336 HydrophobicContact CG1-CG2 3.98Å; V57-T336 HydrophobicContact CG2-CG2 4.21Å; V57-M339 HydrophobicContact CG1-CE 3.75Å
58	D	98.1	Very high	98	Very high	121 Å²	121	44.9 Å²	44.9	65%	0.647	21%	0.213	S	C	*	.	H	α-helix	trans	-61.6	-44.7	171.1	58	-43.6	0	0	0	112.3	N56 L60 E61 E62	N56-D58 VanDerWaalsContact C-N 3.26Å; N56-D58 WeakPolarHBondContact CA-OD1 3.47Å; N56-D58 PolarHBondContact O-N 3.08Å; D58-L60 VanDerWaalsContact C-N 3.33Å; D58-E61 PolarHBondContact O-N 2.88Å; D58-E62 PolarHBondContact O-N 2.98Å
59	L	98.6	Very high	98.1	Very high	68 Å²	68	46.8 Å²	46.8	36%	0.356	22%	0.223	S	C	.	.	H	α-helix	trans	-69.4	-32.1	175.8	-178.6	57.9	0	0	0	111.9	N56 T63 L87	N56-L59 HydrophobicContact CB-CB 4.14Å; N56-L59 PolarHBondContact O-N 2.86Å; L59-T63 VanDerWaalsContact O-CB 3.28Å; L59-T63 WeakPolarHBondContact O-CB 3.07Å; L59-T63 PolarHBondContact O-N 3.45Å; L59-T63 PolarHBondContact O-OG1 3.2Å; L59-L87 HydrophobicContact CB-CD1 4.19Å; L59-L87 HydrophobicContact CD2-CD1 3.54Å; L59-L87 HydrophobicContact CG-CD1 3.81Å
60	L	98.8	Very high	98	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-47.4	171.9	176.3	74.4	0	0	0	111.1	N56 V57 D58 T63 L64 L87 V88 T336 M339 K340 V343	N56-L60 PolarHBondContact O-N 2.94Å; V57-L60 WeakPolarHBondContact O-CB 3.05Å; V57-L60 PolarHBondContact O-N 2.73Å; D58-L60 VanDerWaalsContact C-N 3.33Å; L60-T63 WeakPolarHBondContact O-CB 3.48Å; L60-T63 PolarHBondContact O-N 3.34Å; L60-L64 PolarHBondContact O-N 2.78Å; L60-L87 HydrophobicContact CB-CD2 4.07Å; L60-L87 HydrophobicContact CD1-CD2 3.95Å; L60-V88 HydrophobicContact CB-CG1 4.32Å; L60-V88 HydrophobicContact CD1-CG1 4.16Å; L60-V88 HydrophobicContact CD2-CG1 4.07Å; L60-V88 HydrophobicContact CG-CG1 4.42Å; L60-T336 HydrophobicContact CD2-CG2 3.78Å; L60-M339 HydrophobicContact CD2-CB 3.69Å; L60-M339 HydrophobicContact CD2-CE 4.2Å; L60-M339 HydrophobicContact CG-CB 4.01Å; L60-K340 HydrophobicContact CD1-CG 4.34Å; L60-K340 HydrophobicContact CD2-CG 3.82Å; L60-V343 HydrophobicContact CD1-CB 4.45Å; L60-V343 HydrophobicContact CD1-CG1 3.85Å; L60-V343 HydrophobicContact CD1-CG2 3.76Å
61	E	98.4	Very high	97.9	Very high	98 Å²	98	52.7 Å²	52.7	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-45.4	176.6	-175.2	175.4	172.1	0	0	111.4	V57 D58 T63 L64 R65 M339 Y378	V57-E61 PolarHBondContact O-N 3.42Å; D58-E61 PolarHBondContact O-N 2.88Å; E61-T63 VanDerWaalsContact C-N 3.31Å; E61-T63 PolarHBondContact O-N 2.86Å; E61-L64 WeakPolarHBondContact O-CB 3.43Å; E61-L64 PolarHBondContact O-N 3.38Å; E61-R65 PolarHBondContact O-N 3.04Å; E61-M339 HydrophobicContact CB-CE 4.48Å; E61-M339 HydrophobicContact CB-SD 3.64Å; E61-M339 HydrophobicContact CG-SD 3.95Å; E61-Y378 WeakPolarHBondContact CG-OH 3.33Å; E61-Y378 PolarHBondContact OE1-OH 3.41Å
62	E	98.3	Very high	97.8	Very high	74 Å²	74	53.7 Å²	53.7	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-42.1	175.4	-176.2	177.1	-159.1	0	0	111.8	D58 R65 R66	D58-E62 PolarHBondContact O-N 2.98Å; E62-R65 PolarHBondContact O-N 3.1Å; E62-R66 WeakPolarHBondContact O-CG 3.41Å; E62-R66 PolarHBondContact O-N 2.57Å; E62-R66 IonicContact OE1-CZ 3.78Å; E62-R66 VanDerWaalsContact OE1-CZ 3.32Å; E62-R66 IonicContact OE1-NE 2.69Å; E62-R66 PolarHBondContact OE1-NE 2.76Å; E62-R66 IonicContact OE1-NH2 3.34Å; E62-R66 PolarHBondContact OE1-NH2 2.62Å; E62-R66 IonicContact OE2-CZ 3.34Å; E62-R66 IonicContact OE2-NH2 2.7Å; E62-R66 PolarHBondContact OE2-NH2 2.63Å
63	T	98.7	Very high	97.7	Very high	22 Å²	22	58.7 Å²	58.7	14%	0.135	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-45.5	177	-60.6	0	0	0	0	110.5	L59 L60 E61 R65 R66 V67 L79 V343	L59-T63 VanDerWaalsContact O-CB 3.28Å; L59-T63 WeakPolarHBondContact O-CB 3.07Å; L59-T63 PolarHBondContact O-N 3.45Å; L59-T63 PolarHBondContact O-OG1 3.2Å; L60-T63 WeakPolarHBondContact O-CB 3.48Å; L60-T63 PolarHBondContact O-N 3.34Å; E61-T63 VanDerWaalsContact C-N 3.31Å; E61-T63 PolarHBondContact O-N 2.86Å; T63-R65 VanDerWaalsContact C-N 3.34Å; T63-R65 PolarHBondContact O-N 3.38Å; T63-R66 PolarHBondContact O-N 3.03Å; T63-R66 VanDerWaalsContact O-N 3.15Å; T63-V67 HydrophobicContact CG2-CG1 4.41Å; T63-V67 WeakPolarHBondContact O-CG2 3.37Å; T63-V67 PolarHBondContact O-N 3.01Å; T63-L79 HydrophobicContact CG2-CD1 3.73Å; T63-L79 HydrophobicContact CG2-CD2 4.05Å; T63-V343 HydrophobicContact CG2-CG1 4.05Å
64	L	98.7	Very high	97.7	Very high	4 Å²	4	59 Å²	59	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-56	-49.5	176.1	179.6	63.2	0	0	0	111.1	L60 E61 R66 V67 S68 M339 V343 Y378 F497	L60-L64 PolarHBondContact O-N 2.78Å; E61-L64 WeakPolarHBondContact O-CB 3.43Å; E61-L64 PolarHBondContact O-N 3.38Å; L64-R66 VanDerWaalsContact C-N 3.31Å; L64-R66 PolarHBondContact O-N 2.62Å; L64-V67 PolarHBondContact O-N 2.87Å; L64-S68 VanDerWaalsContact O-CB 3.31Å; L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 2.99Å; L64-S68 PolarHBondContact O-OG 2.86Å; L64-M339 HydrophobicContact CD2-CB 4.11Å; L64-M339 HydrophobicContact CD2-CG 3.84Å; L64-V343 HydrophobicContact CB-CG1 3.71Å; L64-V343 HydrophobicContact CD1-CG1 4.15Å; L64-Y378 HydrophobicContact CD2-CD1 3.4Å; L64-Y378 VanDerWaalsContact CD2-CD1 3.4Å; L64-Y378 HydrophobicContact CD2-CE1 3.81Å; L64-Y378 HydrophobicContact CD2-CG 4.19Å; L64-F497 HydrophobicContact CD1-CB 4Å; L64-F497 HydrophobicContact CD1-CD1 3.95Å; L64-F497 HydrophobicContact CD1-CG 4.31Å; L64-F497 HydrophobicContact CD2-CD1 4.1Å; L64-F497 HydrophobicContact CD2-CE1 4.38Å; L64-F497 HydrophobicContact CG-CD1 4.01Å
65	R	97.9	Very high	97.6	Very high	126 Å²	126	59.5 Å²	59.5	48%	0.475	30%	0.299	S	S	.	.	H	α-helix	trans	-55.8	-46.8	177.3	-171.6	-175.3	67.2	83.3	-1.8	111.2	E61 E62 T63 V67 S68 D69	E61-R65 PolarHBondContact O-N 3.04Å; E62-R65 PolarHBondContact O-N 3.1Å; T63-R65 VanDerWaalsContact C-N 3.34Å; T63-R65 PolarHBondContact O-N 3.38Å; R65-V67 PolarHBondContact O-N 2.71Å; R65-S68 PolarHBondContact O-N 2.68Å; R65-D69 WeakPolarHBondContact O-CB 3.43Å; R65-D69 PolarHBondContact O-N 3.47Å
66	R	98.1	Very high	97.5	Very high	105 Å²	105	56.1 Å²	56.1	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-65.5	-35.3	-179.5	-70.3	176.6	-173.2	177.7	2.1	113.2	E62 T63 L64 S72 Q74 Y75	E62-R66 WeakPolarHBondContact O-CG 3.41Å; E62-R66 PolarHBondContact O-N 2.57Å; E62-R66 IonicContact OE1-CZ 3.78Å; E62-R66 VanDerWaalsContact OE1-CZ 3.32Å; E62-R66 IonicContact OE1-NE 2.69Å; E62-R66 PolarHBondContact OE1-NE 2.76Å; E62-R66 IonicContact OE1-NH2 3.34Å; E62-R66 PolarHBondContact OE1-NH2 2.62Å; E62-R66 IonicContact OE2-CZ 3.34Å; E62-R66 IonicContact OE2-NH2 2.7Å; E62-R66 PolarHBondContact OE2-NH2 2.63Å; T63-R66 PolarHBondContact O-N 3.03Å; T63-R66 VanDerWaalsContact O-N 3.15Å; L64-R66 VanDerWaalsContact C-N 3.31Å; L64-R66 PolarHBondContact O-N 2.62Å; R66-S72 WeakPolarHBondContact O-CB 3.22Å; R66-S72 PolarHBondContact O-OG 3.23Å; R66-Q74 HydrophobicContact CB-CB 4.15Å; R66-Q74 CarbonylContact O-C 3.28Å; R66-Y75 PolarHBondContact O-N 3.46Å
67	V	98.3	Very high	97.5	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-88.2	-13.4	-178.7	-55.2	0	0	0	0	113.7	T63 L64 R65 Q74 Y75 G76 K77	T63-V67 HydrophobicContact CG2-CG1 4.41Å; T63-V67 WeakPolarHBondContact O-CG2 3.37Å; T63-V67 PolarHBondContact O-N 3.01Å; L64-V67 PolarHBondContact O-N 2.87Å; R65-V67 PolarHBondContact O-N 2.71Å; V67-Q74 WeakPolarHBondContact CA-O 3.35Å; V67-Y75 WeakPolarHBondContact O-CD2 3.46Å; V67-G76 PolarHBondContact O-N 2.87Å; V67-K77 VanDerWaalsContact CG1-O 3.31Å; V67-K77 WeakPolarHBondContact CG1-O 3.38Å
68	S	97.8	Very high	97.5	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.028	29%	0.288	C	S	.	.	H	α-helix	trans	-108.2	-19.9	-178.6	60.4	0	0	0	0	114.9	L64 R65 P70 Y75	L64-S68 VanDerWaalsContact O-CB 3.31Å; L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 2.99Å; L64-S68 PolarHBondContact O-OG 2.86Å; R65-S68 PolarHBondContact O-N 2.68Å; S68-P70 WeakPolarHBondContact O-CD 3.45Å; S68-Y75 WeakPolarHBondContact O-CE2 3.4Å
69	D	96.5	Very high	97.5	Very high	41 Å²	41	54 Å²	54	22%	0.219	27%	0.265	C	S	.	.			trans	-73.9	117.9	173.3	179.7	-1.3	0	0	0	110.7	R65 D71 S72 Y75	R65-D69 WeakPolarHBondContact O-CB 3.43Å; R65-D69 PolarHBondContact O-N 3.47Å; D69-D71 PolarHBondContact O-N 3.02Å; D69-D71 PolarHBondContact OD1-N 2.92Å; D69-S72 VanDerWaalsContact O-CB 3.26Å; D69-S72 WeakPolarHBondContact O-CB 3.31Å; D69-S72 PolarHBondContact O-N 3.15Å; D69-Y75 WeakPolarHBondContact O-CB 3.37Å; D69-Y75 WeakPolarHBondContact O-CD2 3.22Å
70	P	94.1	Very high	97.5	Very high	18 Å²	18	53.3 Å²	53.3	12%	0.117	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.9	-179.7	28	-36.7	0	0	0	114.7	S68 S72 Y75 R501 K504	S68-P70 WeakPolarHBondContact O-CD 3.45Å; P70-S72 VanDerWaalsContact C-N 3.34Å; P70-Y75 HydrophobicContact CB-CE2 4.48Å; P70-R501 HydrophobicContact CB-CG 4.37Å; P70-R501 HydrophobicContact CG-CB 4.11Å; P70-R501 HydrophobicContact CG-CG 4.18Å; P70-K504 HydrophobicContact CG-CD 4.05Å; P70-K504 HydrophobicContact CG-CG 4.47Å
71	D	94.4	Very high	97.4	Very high	118 Å²	118	53.9 Å²	53.9	63%	0.631	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-11.6	173.5	-76.9	-16	0	0	0	113.4	D69 K504	D69-D71 PolarHBondContact O-N 3.02Å; D69-D71 PolarHBondContact OD1-N 2.92Å; D71-K504 VanDerWaalsContact CG-CE 3.48Å; D71-K504 IonicContact OD1-NZ 2.76Å; D71-K504 PolarHBondContact OD1-NZ 2.87Å; D71-K504 WeakPolarHBondContact OD2-CE 3.23Å; D71-K504 IonicContact OD2-NZ 2.7Å; D71-K504 PolarHBondContact OD2-NZ 2.88Å
72	S	96.6	Very high	97.4	Very high	20 Å²	20	54.3 Å²	54.3	14%	0.14	27%	0.271	C	S	.	.	S	Bend	trans	-73.5	136.2	-178.6	173.3	0	0	0	0	110.6	R66 D69 P70 Q74 Y75	R66-S72 WeakPolarHBondContact O-CB 3.22Å; R66-S72 PolarHBondContact O-OG 3.23Å; D69-S72 VanDerWaalsContact O-CB 3.26Å; D69-S72 WeakPolarHBondContact O-CB 3.31Å; D69-S72 PolarHBondContact O-N 3.15Å; P70-S72 VanDerWaalsContact C-N 3.34Å; S72-Q74 PolarHBondContact O-N 2.92Å; S72-Q74 PolarHBondContact OG-N 3.49Å; S72-Y75 VanDerWaalsContact O-CB 3.27Å; S72-Y75 WeakPolarHBondContact O-CB 3.37Å; S72-Y75 PolarHBondContact O-N 3.45Å
73	P	96.7	Very high	97.5	Very high	107 Å²	107	55.8 Å²	55.8	70%	0.695	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-7	170.6	29.7	-36.1	0	0	0	112.9	K77	P73-K77 WeakPolarHBondContact O-CE 3.44Å; P73-K77 PolarHBondContact O-NZ 2.99Å
74	Q	97.8	Very high	97.4	Very high	82 Å²	82	54.8 Å²	54.8	38%	0.383	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	1.7	173.4	-55	-62.4	-28.7	0	0	113.1	R66 V67 S72 G76 K77	R66-Q74 HydrophobicContact CB-CB 4.15Å; R66-Q74 CarbonylContact O-C 3.28Å; V67-Q74 WeakPolarHBondContact CA-O 3.35Å; S72-Q74 PolarHBondContact O-N 2.92Å; S72-Q74 PolarHBondContact OG-N 3.49Å; Q74-G76 PolarHBondContact O-N 3.41Å; Q74-K77 WeakPolarHBondContact O-CB 3.4Å; Q74-K77 PolarHBondContact O-N 2.82Å; Q74-K77 VanDerWaalsContact OE1-CD 3.25Å
75	Y	97.3	Very high	97.4	Very high	36 Å²	36	54.8 Å²	54.8	14%	0.141	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	127.1	179.9	-178.6	-113.8	0	0	0	111.6	R66 V67 S68 D69 P70 S72 K77 R501	R66-Y75 PolarHBondContact O-N 3.46Å; V67-Y75 WeakPolarHBondContact O-CD2 3.46Å; S68-Y75 WeakPolarHBondContact O-CE2 3.4Å; D69-Y75 WeakPolarHBondContact O-CB 3.37Å; D69-Y75 WeakPolarHBondContact O-CD2 3.22Å; P70-Y75 HydrophobicContact CB-CE2 4.48Å; S72-Y75 VanDerWaalsContact O-CB 3.27Å; S72-Y75 WeakPolarHBondContact O-CB 3.37Å; S72-Y75 PolarHBondContact O-N 3.45Å; Y75-K77 PolarHBondContact O-N 2.77Å; Y75-R501 VanDerWaalsContact OH-CD 3.29Å; Y75-R501 WeakPolarHBondContact OH-CD 3.43Å; Y75-R501 PolarHBondContact OH-NH1 3.01Å
76	G	96.6	Very high	97.5	Very high	10 Å²	10	51.8 Å²	51.8	10%	0.103	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	3.6	179.3	0	0	0	0	0	115.8	V67 Q74 H78 P493	V67-G76 PolarHBondContact O-N 2.87Å; Q74-G76 PolarHBondContact O-N 3.41Å; G76-H78 PolarHBondContact O-CD2 3.46Å; G76-H78 PolarHBondContact O-N 2.81Å; G76-P493 VanDerWaalsContact O-CB 3.29Å; G76-P493 WeakPolarHBondContact O-CB 3.49Å
77	K	97.8	Very high	97.5	Very high	119 Å²	119	47.9 Å²	47.9	52%	0.517	26%	0.258	S	S	.	.			trans	-82.7	65.6	170.1	-64	-179	-175.4	157.1	0	109.9	V67 P73 Q74 Y75	V67-K77 VanDerWaalsContact CG1-O 3.31Å; V67-K77 WeakPolarHBondContact CG1-O 3.38Å; P73-K77 WeakPolarHBondContact O-CE 3.44Å; P73-K77 PolarHBondContact O-NZ 2.99Å; Q74-K77 WeakPolarHBondContact O-CB 3.4Å; Q74-K77 PolarHBondContact O-N 2.82Å; Q74-K77 VanDerWaalsContact OE1-CD 3.25Å; Y75-K77 PolarHBondContact O-N 2.77Å
78	H	97.6	Very high	97.5	Very high	43 Å²	43	47.7 Å²	47.7	20%	0.199	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.2	152.4	-176.7	-58.2	-51.3	0	0	0	112.1	G76 V343 G345 A494	G76-H78 PolarHBondContact O-CD2 3.46Å; G76-H78 PolarHBondContact O-N 2.81Å; H78-V343 CarbonylContact C-O 3.56Å; H78-V343 VanDerWaalsContact CA-O 3.26Å; H78-V343 WeakPolarHBondContact CA-O 3.47Å; H78-V343 WeakPolarHBondContact CB-O 3.43Å; H78-G345 WeakPolarHBondContact CD2-CA 3.32Å; H78-G345 VanDerWaalsContact CE1-CA 3.48Å; H78-G345 WeakPolarHBondContact CE1-CA 3.36Å; H78-G345 WeakPolarHBondContact ND1-CA 3.2Å; H78-G345 WeakPolarHBondContact NE2-CA 3.48Å; H78-A494 PolarHBondContact NE2-O 3.27Å
79	L	98.3	Very high	97.5	Very high	34 Å²	34	53.2 Å²	53.2	18%	0.178	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-87	145.6	-179.2	-81.3	60.8	0	0	0	111	T63 E83 V84 V343 R344	T63-L79 HydrophobicContact CG2-CD1 3.73Å; T63-L79 HydrophobicContact CG2-CD2 4.05Å; L79-E83 HydrophobicContact CB-CB 4.08Å; L79-E83 HydrophobicContact CD2-CB 4.22Å; L79-E83 HydrophobicContact CG-CB 4.07Å; L79-V84 HydrophobicContact CB-CG2 3.9Å; L79-V84 HydrophobicContact CD2-CG2 4.27Å; L79-V343 PolarHBondContact N-O 3.08Å; L79-R344 WeakPolarHBondContact O-CA 3.28Å; L79-R344 WeakPolarHBondContact O-CG 3.44Å
80	S	98.3	Very high	97.6	Very high	54 Å²	54	51.3 Å²	51.3	38%	0.378	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-68.9	160.9	163.5	66.2	0	0	0	0	111.6	Q82 E83 V84	S80-Q82 PolarHBondContact O-N 3.23Å; S80-E83 WeakPolarHBondContact CB-OE2 2.93Å; S80-E83 PolarHBondContact N-OE2 3.45Å; S80-E83 PolarHBondContact O-N 3.28Å; S80-E83 WeakPolarHBondContact OG-CG 3.07Å; S80-E83 PolarHBondContact OG-N 2.91Å; S80-E83 PolarHBondContact OG-OE2 2.89Å; S80-V84 WeakPolarHBondContact O-CG2 3.44Å; S80-V84 PolarHBondContact O-N 2.77Å
81	L	98.3	Very high	97.8	Very high	11 Å²	11	52 Å²	52	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-31.8	175	-177.6	59	0	0	0	112.5	V84 S85 H114 T115	L81-V84 PolarHBondContact O-N 3.04Å; L81-S85 WeakPolarHBondContact O-CB 3.16Å; L81-S85 PolarHBondContact O-N 2.93Å; L81-H114 HydrophobicContact CD2-CB 3.87Å; L81-H114 HydrophobicContact CG-CB 4.27Å; L81-T115 HydrophobicContact CD1-CG2 3.84Å
82	Q	98.4	Very high	98	Very high	108 Å²	108	50.4 Å²	50.4	51%	0.505	28%	0.275	S	S	.	.	H	α-helix	trans	-69.4	-39.2	176.9	-179.1	62.6	57	0	0	112.2	S80 S85 S86 H114	S80-Q82 PolarHBondContact O-N 3.23Å; Q82-S85 PolarHBondContact O-N 3.14Å; Q82-S86 WeakPolarHBondContact O-CB 3.22Å; Q82-S86 PolarHBondContact O-N 3.14Å; Q82-S86 PolarHBondContact O-OG 2.96Å; Q82-H114 PolarHBondContact OE1-CE1 3.26Å; Q82-H114 VanDerWaalsContact OE1-CE1 3.31Å; Q82-H114 PolarHBondContact OE1-NE2 3.3Å; Q82-H114 VanDerWaalsContact OE1-NE2 3.12Å
83	E	98.6	Very high	98.1	Very high	105 Å²	105	54.4 Å²	54.4	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-43	174.5	-73.5	162.8	131.7	0	0	110.8	L79 S80 S86 L87	L79-E83 HydrophobicContact CB-CB 4.08Å; L79-E83 HydrophobicContact CD2-CB 4.22Å; L79-E83 HydrophobicContact CG-CB 4.07Å; S80-E83 WeakPolarHBondContact CB-OE2 2.93Å; S80-E83 PolarHBondContact N-OE2 3.45Å; S80-E83 PolarHBondContact O-N 3.28Å; S80-E83 WeakPolarHBondContact OG-CG 3.07Å; S80-E83 PolarHBondContact OG-N 2.91Å; S80-E83 PolarHBondContact OG-OE2 2.89Å; E83-S86 PolarHBondContact O-N 2.87Å; E83-L87 WeakPolarHBondContact O-CB 3.45Å; E83-L87 PolarHBondContact O-N 3.35Å
84	V	98.6	Very high	98.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-48.4	172.8	175.9	0	0	0	0	111.1	L79 S80 L81 S86 L87 V88 T115 K340 V343 R344	L79-V84 HydrophobicContact CB-CG2 3.9Å; L79-V84 HydrophobicContact CD2-CG2 4.27Å; S80-V84 WeakPolarHBondContact O-CG2 3.44Å; S80-V84 PolarHBondContact O-N 2.77Å; L81-V84 PolarHBondContact O-N 3.04Å; V84-S86 VanDerWaalsContact C-N 3.31Å; V84-S86 PolarHBondContact O-N 3Å; V84-L87 WeakPolarHBondContact O-CB 3.39Å; V84-L87 PolarHBondContact O-N 2.64Å; V84-L87 VanDerWaalsContact O-N 3.11Å; V84-V88 HydrophobicContact CG1-CG2 4.25Å; V84-V88 WeakPolarHBondContact O-CG2 3.47Å; V84-V88 PolarHBondContact O-N 2.84Å; V84-T115 HydrophobicContact CG1-CG2 4.32Å; V84-K340 HydrophobicContact CG1-CB 4.03Å; V84-K340 HydrophobicContact CG1-CD 4.41Å; V84-K340 HydrophobicContact CG1-CG 3.8Å; V84-V343 HydrophobicContact CG2-CG2 3.58Å; V84-R344 HydrophobicContact CG2-CG 3.71Å
85	S	98.4	Very high	98.1	Very high	4 Å²	4	48 Å²	48	3%	0.028	26%	0.256	C	S	.	.	H	α-helix	trans	-56	-46	176.1	178.6	0	0	0	0	111.5	L81 Q82 L87 V88 R89 H114	L81-S85 WeakPolarHBondContact O-CB 3.16Å; L81-S85 PolarHBondContact O-N 2.93Å; Q82-S85 PolarHBondContact O-N 3.14Å; S85-L87 PolarHBondContact O-N 2.95Å; S85-V88 PolarHBondContact O-N 2.68Å; S85-R89 WeakPolarHBondContact O-CB 3.36Å; S85-R89 WeakPolarHBondContact O-CG 3.26Å; S85-R89 PolarHBondContact O-N 2.98Å; S85-H114 PolarHBondContact OG-O 3.42Å
86	S	98.3	Very high	98.1	Very high	64 Å²	64	53.2 Å²	53.2	45%	0.448	28%	0.279	S	S	.	.	H	α-helix	trans	-63.6	-32.9	179.3	-55	0	0	0	0	112.6	Q82 E83 V84	Q82-S86 WeakPolarHBondContact O-CB 3.22Å; Q82-S86 PolarHBondContact O-N 3.14Å; Q82-S86 PolarHBondContact O-OG 2.96Å; E83-S86 PolarHBondContact O-N 2.87Å; V84-S86 VanDerWaalsContact C-N 3.31Å; V84-S86 PolarHBondContact O-N 3Å
87	L	98.4	Very high	98.2	Very high	23 Å²	23	54.5 Å²	54.5	12%	0.12	29%	0.285	C	S	.	.	H	α-helix	trans	-73.2	-47.9	178.1	179.2	60.4	0	0	0	112.2	N56 L59 L60 E83 V84 S85	N56-L87 HydrophobicContact CB-CD1 3.78Å; N56-L87 HydrophobicContact CB-CG 4.45Å; N56-L87 WeakPolarHBondContact CB-O 2.9Å; N56-L87 PolarHBondContact ND2-O 2.89Å; L59-L87 HydrophobicContact CB-CD1 4.19Å; L59-L87 HydrophobicContact CD2-CD1 3.54Å; L59-L87 HydrophobicContact CG-CD1 3.81Å; L60-L87 HydrophobicContact CB-CD2 4.07Å; L60-L87 HydrophobicContact CD1-CD2 3.95Å; E83-L87 WeakPolarHBondContact O-CB 3.45Å; E83-L87 PolarHBondContact O-N 3.35Å; V84-L87 WeakPolarHBondContact O-CB 3.39Å; V84-L87 PolarHBondContact O-N 2.64Å; V84-L87 VanDerWaalsContact O-N 3.11Å; S85-L87 PolarHBondContact O-N 2.95Å
88	V	98.6	Very high	98.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-108	-12.2	-165.1	-50	0	0	0	0	115.3	Q54 Q55 L60 V84 S85 K340	Q54-V88 WeakPolarHBondContact CA-O 3.32Å; Q54-V88 HydrophobicContact CB-CB 4.48Å; Q54-V88 WeakPolarHBondContact CB-O 3.36Å; Q55-V88 PolarHBondContact N-O 2.71Å; Q55-V88 WeakPolarHBondContact O-CA 3.36Å; L60-V88 HydrophobicContact CB-CG1 4.32Å; L60-V88 HydrophobicContact CD1-CG1 4.16Å; L60-V88 HydrophobicContact CD2-CG1 4.07Å; L60-V88 HydrophobicContact CG-CG1 4.42Å; V84-V88 HydrophobicContact CG1-CG2 4.25Å; V84-V88 WeakPolarHBondContact O-CG2 3.47Å; V84-V88 PolarHBondContact O-N 2.84Å; S85-V88 PolarHBondContact O-N 2.68Å; V88-K340 HydrophobicContact CG2-CD 4.06Å
89	R	98.3	Very high	98.1	Very high	120 Å²	120	49.9 Å²	49.9	45%	0.453	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-51.4	144.5	-175.3	63.2	-177.2	-174.8	171.9	0.6	111.5	Q55 S85 T115 Q116	Q55-R89 WeakPolarHBondContact CG-O 3.19Å; Q55-R89 PolarHBondContact OE1-O 3.08Å; S85-R89 WeakPolarHBondContact O-CB 3.36Å; S85-R89 WeakPolarHBondContact O-CG 3.26Å; S85-R89 PolarHBondContact O-N 2.98Å; R89-T115 WeakPolarHBondContact CA-O 3.04Å; R89-T115 WeakPolarHBondContact CB-O 3.38Å; R89-Q116 HydrophobicContact CB-CB 4.49Å
90	P	98.6	Very high	98	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.013	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-62.7	152	177.7	-21.8	34.2	0	0	0	112	L52 K53 T94 Q95 Q116 D117	L52-P90 HydrophobicContact CB-CB 4.23Å; L52-P90 HydrophobicContact CB-CG 3.65Å; L52-P90 HydrophobicContact CD2-CB 4.45Å; L52-P90 HydrophobicContact CD2-CG 4.15Å; K53-P90 WeakPolarHBondContact O-CB 3.45Å; P90-T94 HydrophobicContact CB-CG2 3.59Å; P90-Q95 HydrophobicContact CB-CG 4.17Å; P90-Q95 PolarHBondContact O-NE2 3Å; P90-Q95 VanDerWaalsContact O-NE2 3.07Å; P90-Q116 VanDerWaalsContact CD-O 3.3Å; P90-Q116 WeakPolarHBondContact CD-O 3.39Å; P90-Q116 WeakPolarHBondContact CG-O 3.5Å; P90-D117 HydrophobicContact CG-CB 3.96Å
91	S	98.5	Very high	97.9	Very high	32 Å²	32	54.5 Å²	54.5	22%	0.224	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-58.8	152.5	176.7	76	0	0	0	0	111.9	L93 T94 Q95	S91-L93 PolarHBondContact O-N 3.33Å; S91-L93 VanDerWaalsContact O-N 3.12Å; S91-T94 WeakPolarHBondContact O-CB 3.36Å; S91-T94 PolarHBondContact O-N 3.28Å; S91-T94 PolarHBondContact OG-N 2.8Å; S91-T94 PolarHBondContact OG-OG1 2.86Å; S91-Q95 PolarHBondContact O-N 3.32Å
92	A	98.1	Very high	97.9	Very high	84 Å²	84	54 Å²	54	69%	0.694	27%	0.269	S	S	*	.	H	α-helix	trans	-56.2	-31.1	174.8	0	0	0	0	0	112.3	K96	A92-K96 WeakPolarHBondContact O-CB 3.31Å; A92-K96 PolarHBondContact O-N 3Å
93	L	98.1	Very high	97.8	Very high	105 Å²	105	54.8 Å²	54.8	55%	0.55	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-51	173.3	179.5	62.9	0	0	0	111.4	S91 Q95 K96 V97	S91-L93 PolarHBondContact O-N 3.33Å; S91-L93 VanDerWaalsContact O-N 3.12Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 2.7Å; L93-K96 PolarHBondContact O-N 2.86Å; L93-V97 HydrophobicContact CD1-CG2 3.85Å; L93-V97 HydrophobicContact CG-CG2 4.32Å; L93-V97 WeakPolarHBondContact O-CG2 3.32Å; L93-V97 PolarHBondContact O-N 2.87Å
94	T	98.3	Very high	97.6	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.055	28%	0.278	C	S	.	.	H	α-helix	trans	-53.8	-51.1	176.5	-69.5	0	0	0	0	111	L52 P90 S91 K96 V97 V98 H163	L52-T94 HydrophobicContact CB-CG2 4.12Å; L52-T94 HydrophobicContact CD2-CG2 4.23Å; L52-T94 HydrophobicContact CG-CG2 4.28Å; P90-T94 HydrophobicContact CB-CG2 3.59Å; S91-T94 WeakPolarHBondContact O-CB 3.36Å; S91-T94 PolarHBondContact O-N 3.28Å; S91-T94 PolarHBondContact OG-N 2.8Å; S91-T94 PolarHBondContact OG-OG1 2.86Å; T94-K96 PolarHBondContact O-N 3.08Å; T94-V97 PolarHBondContact O-N 2.87Å; T94-V98 WeakPolarHBondContact O-CB 3.31Å; T94-V98 WeakPolarHBondContact O-CG2 3.23Å; T94-V98 PolarHBondContact O-N 2.82Å; T94-H163 HydrophobicContact CG2-CB 3.99Å; T94-H163 PolarHBondContact OG1-ND1 3.37Å
95	Q	97.5	Very high	97.5	Very high	46 Å²	46	57.3 Å²	57.3	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-48.6	179.2	-63.2	-173.9	31.2	0	0	111.1	P90 S91 L93 V97 V98 H99	P90-Q95 HydrophobicContact CB-CG 4.17Å; P90-Q95 PolarHBondContact O-NE2 3Å; P90-Q95 VanDerWaalsContact O-NE2 3.07Å; S91-Q95 PolarHBondContact O-N 3.32Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 2.7Å; Q95-V97 PolarHBondContact O-N 3.28Å; Q95-V98 PolarHBondContact O-N 2.93Å; Q95-H99 VanDerWaalsContact O-CB 3.31Å; Q95-H99 WeakPolarHBondContact O-CB 3.35Å; Q95-H99 PolarHBondContact O-CD2 2.84Å; Q95-H99 PolarHBondContact O-N 3.34Å
96	K	97.1	Very high	97.3	Very high	145 Å²	145	60 Å²	60	63%	0.63	32%	0.32	S	S	*	.	H	α-helix	trans	-62	-44	-179.1	-176.5	178.4	179.8	179.8	0	112.6	A92 L93 T94 R100	A92-K96 WeakPolarHBondContact O-CB 3.31Å; A92-K96 PolarHBondContact O-N 3Å; L93-K96 PolarHBondContact O-N 2.86Å; T94-K96 PolarHBondContact O-N 3.08Å; K96-R100 WeakPolarHBondContact O-CB 3.39Å; K96-R100 PolarHBondContact O-N 3.22Å
97	V	97.8	Very high	97.2	Very high	37 Å²	37	57.2 Å²	57.2	22%	0.224	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-49	-179.3	172.6	0	0	0	0	110.4	L93 T94 Q95 R100 W101 V160 H163	L93-V97 HydrophobicContact CD1-CG2 3.85Å; L93-V97 HydrophobicContact CG-CG2 4.32Å; L93-V97 WeakPolarHBondContact O-CG2 3.32Å; L93-V97 PolarHBondContact O-N 2.87Å; T94-V97 PolarHBondContact O-N 2.87Å; Q95-V97 PolarHBondContact O-N 3.28Å; V97-R100 PolarHBondContact O-N 2.79Å; V97-W101 VanDerWaalsContact O-CB 3.28Å; V97-W101 WeakPolarHBondContact O-CB 3.34Å; V97-W101 PolarHBondContact O-N 3.49Å; V97-V160 HydrophobicContact CG1-CG2 4.42Å; V97-H163 VanDerWaalsContact CG1-CD2 3.49Å; V97-H163 WeakPolarHBondContact CG1-CD2 3.45Å
98	V	97.5	Very high	96.8	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.4	-46.4	-179	176.2	0	0	0	0	111.2	L52 T94 Q95 R100 W101 L102 L119 H163 L164	L52-V98 HydrophobicContact CD1-CG1 4.31Å; L52-V98 HydrophobicContact CG-CG1 4.42Å; L52-V98 HydrophobicContact CG-CG2 4.37Å; T94-V98 WeakPolarHBondContact O-CB 3.31Å; T94-V98 WeakPolarHBondContact O-CG2 3.23Å; T94-V98 PolarHBondContact O-N 2.82Å; Q95-V98 PolarHBondContact O-N 2.93Å; V98-R100 PolarHBondContact O-N 3.46Å; V98-W101 HydrophobicContact CG1-CE3 4.47Å; V98-W101 PolarHBondContact O-N 3.31Å; V98-L102 HydrophobicContact CG1-CD1 3.96Å; V98-L102 HydrophobicContact CG1-CG 4.45Å; V98-L102 VanDerWaalsContact O-CG 3.32Å; V98-L102 WeakPolarHBondContact O-CG 3.33Å; V98-L102 PolarHBondContact O-N 3.08Å; V98-L119 HydrophobicContact CG1-CD1 3.98Å; V98-H163 HydrophobicContact CG2-CB 3.87Å; V98-L164 HydrophobicContact CG1-CD2 4.26Å; V98-L164 HydrophobicContact CG2-CD2 4Å; V98-L164 HydrophobicContact CG2-CG 4.36Å
99	H	96.6	Very high	96.3	Very high	65 Å²	65	65.6 Å²	65.6	30%	0.301	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-44	177.1	-82.8	-67.9	0	0	0	112.5	Q95 W101 L102 Q103	Q95-H99 VanDerWaalsContact O-CB 3.31Å; Q95-H99 WeakPolarHBondContact O-CB 3.35Å; Q95-H99 PolarHBondContact O-CD2 2.84Å; Q95-H99 PolarHBondContact O-N 3.34Å; H99-W101 VanDerWaalsContact C-N 3.35Å; H99-L102 PolarHBondContact O-N 3.12Å; H99-Q103 WeakPolarHBondContact O-CB 3.31Å; H99-Q103 WeakPolarHBondContact O-CG 3.49Å; H99-Q103 PolarHBondContact O-N 3.12Å
100	R	96.3	Very high	96.1	Very high	167 Å²	167	61.5 Å²	61.5	63%	0.63	34%	0.342	S	S	*	.	H	α-helix	trans	-63.2	-43.6	177.8	-176.5	175.2	-176.9	166.8	1.8	111.2	K96 V97 V98 Q103 T104	K96-R100 WeakPolarHBondContact O-CB 3.39Å; K96-R100 PolarHBondContact O-N 3.22Å; V97-R100 PolarHBondContact O-N 2.79Å; V98-R100 PolarHBondContact O-N 3.46Å; R100-Q103 PolarHBondContact O-N 2.72Å; R100-T104 HydrophobicContact CG-CG2 4.42Å; R100-T104 WeakPolarHBondContact O-CG2 3.18Å; R100-T104 PolarHBondContact O-N 2.79Å; R100-T104 PolarHBondContact O-OG1 2.98Å
101	W	96.6	Very high	95.9	Very high	18 Å²	18	70 Å²	70	7%	0.068	37%	0.374	C	S	.	.	H	α-helix	trans	-60.4	-44.9	178.1	168.8	64.9	0	0	0	112.4	F50 V97 V98 H99 T104 H105 L131 L132 V156 V160 L164	F50-W101 HydrophobicContact CD1-CH2 4.36Å; F50-W101 AromaticContact CD1-CZ3 3.91Å; F50-W101 HydrophobicContact CD1-CZ3 3.91Å; F50-W101 AromaticContact CE1-CH2 3.84Å; F50-W101 HydrophobicContact CE1-CH2 3.84Å; F50-W101 AromaticContact CE1-CZ3 3.69Å; F50-W101 HydrophobicContact CE1-CZ3 3.69Å; V97-W101 VanDerWaalsContact O-CB 3.28Å; V97-W101 WeakPolarHBondContact O-CB 3.34Å; V97-W101 PolarHBondContact O-N 3.49Å; V98-W101 HydrophobicContact CG1-CE3 4.47Å; V98-W101 PolarHBondContact O-N 3.31Å; H99-W101 VanDerWaalsContact C-N 3.35Å; W101-T104 WeakPolarHBondContact CA-OG1 3.28Å; W101-T104 PolarHBondContact O-N 3.46Å; W101-T104 PolarHBondContact O-OG1 3.02Å; W101-H105 AromaticContact CD1-CE1 3.74Å; W101-H105 AromaticContact CD1-ND1 3.94Å; W101-H105 AromaticContact NE1-CE1 3.67Å; W101-H105 PolarHBondContact O-ND1 3.12Å; W101-L131 HydrophobicContact CD2-CD1 3.93Å; W101-L131 HydrophobicContact CE3-CD1 4.36Å; W101-L131 HydrophobicContact CH2-CD1 3.88Å; W101-L131 HydrophobicContact CH2-CD2 3.94Å; W101-L131 HydrophobicContact CH2-CG 3.73Å; W101-L131 HydrophobicContact CZ2-CD1 3.38Å; W101-L131 HydrophobicContact CZ2-CD2 4.19Å; W101-L131 HydrophobicContact CZ2-CG 3.46Å; W101-L131 VanDerWaalsContact CZ2-CG 3.46Å; W101-L131 WeakPolarHBondContact CZ2-O 3.37Å; W101-L131 HydrophobicContact CZ3-CD1 4.32Å; W101-L131 HydrophobicContact CZ3-CD2 4.42Å; W101-L131 HydrophobicContact CZ3-CG 4.49Å; W101-L132 HydrophobicContact CH2-CD2 3.94Å; W101-L132 HydrophobicContact CZ2-CD2 4.26Å; W101-V156 HydrophobicContact CH2-CG1 4.07Å; W101-V156 HydrophobicContact CZ2-CG1 4.08Å; W101-V160 HydrophobicContact CB-CG2 3.91Å; W101-V160 HydrophobicContact CD2-CB 4.41Å; W101-V160 HydrophobicContact CD2-CG1 3.9Å; W101-V160 HydrophobicContact CD2-CG2 3.74Å; W101-V160 HydrophobicContact CE3-CG1 3.71Å; W101-V160 HydrophobicContact CE3-CG2 4.34Å; W101-V160 HydrophobicContact CG-CG2 3.53Å; W101-V160 HydrophobicContact CH2-CG1 4.19Å; W101-V160 HydrophobicContact CZ2-CG1 4.35Å; W101-V160 HydrophobicContact CZ3-CG1 3.88Å; W101-L164 HydrophobicContact CH2-CD1 4.22Å; W101-L164 HydrophobicContact CZ3-CD1 3.94Å
102	L	97.3	Very high	95.8	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-62.2	-46.8	174.5	-68.6	170.1	0	0	0	111.4	F50 V98 H99 T104 H105 G106 I107 L119 L131	F50-L102 HydrophobicContact CD1-CD2 4.49Å; F50-L102 HydrophobicContact CD2-CD2 4.41Å; F50-L102 HydrophobicContact CE1-CD2 3.96Å; F50-L102 HydrophobicContact CE2-CD2 3.88Å; F50-L102 HydrophobicContact CZ-CD2 3.63Å; V98-L102 HydrophobicContact CG1-CD1 3.96Å; V98-L102 HydrophobicContact CG1-CG 4.45Å; V98-L102 VanDerWaalsContact O-CG 3.32Å; V98-L102 WeakPolarHBondContact O-CG 3.33Å; V98-L102 PolarHBondContact O-N 3.08Å; H99-L102 PolarHBondContact O-N 3.12Å; L102-T104 VanDerWaalsContact C-N 3.35Å; L102-T104 PolarHBondContact O-N 3.07Å; L102-H105 PolarHBondContact O-N 3.31Å; L102-H105 VanDerWaalsContact O-N 3.08Å; L102-G106 PolarHBondContact O-N 2.63Å; L102-I107 CarbonylContact C-O 3.47Å; L102-I107 HydrophobicContact CB-CB 4.19Å; L102-I107 HydrophobicContact CD2-CD1 4.06Å; L102-I107 HydrophobicContact CD2-CG2 4.47Å; L102-I107 WeakPolarHBondContact O-CB 3.49Å; L102-I107 PolarHBondContact O-N 3.36Å; L102-L119 HydrophobicContact CD1-CD1 4.18Å; L102-L131 HydrophobicContact CD2-CD1 4.39Å; L102-L131 HydrophobicContact CD2-CD2 3.93Å
103	Q	96	Very high	95.7	Very high	123 Å²	123	68.3 Å²	68.3	58%	0.575	35%	0.353	S	S	*	.	H	α-helix	trans	-62.1	-37.9	179.2	-74.9	172.3	-5.7	0	0	113	H99 R100 H105 G106 I107	H99-Q103 WeakPolarHBondContact O-CB 3.31Å; H99-Q103 WeakPolarHBondContact O-CG 3.49Å; H99-Q103 PolarHBondContact O-N 3.12Å; R100-Q103 PolarHBondContact O-N 2.72Å; Q103-H105 PolarHBondContact O-N 3.04Å; Q103-G106 PolarHBondContact O-N 3.18Å; Q103-I107 PolarHBondContact N-O 3.3Å
104	T	95.3	Very high	95.7	Very high	98 Å²	98	66.5 Å²	66.5	60%	0.601	34%	0.342	S	S	*	.	H	α-helix	trans	-64.8	-18.7	177	48.5	0	0	0	0	113.5	R100 W101 L102	R100-T104 HydrophobicContact CG-CG2 4.42Å; R100-T104 WeakPolarHBondContact O-CG2 3.18Å; R100-T104 PolarHBondContact O-N 2.79Å; R100-T104 PolarHBondContact O-OG1 2.98Å; W101-T104 WeakPolarHBondContact CA-OG1 3.28Å; W101-T104 PolarHBondContact O-N 3.46Å; W101-T104 PolarHBondContact O-OG1 3.02Å; L102-T104 VanDerWaalsContact C-N 3.35Å; L102-T104 PolarHBondContact O-N 3.07Å
105	H	95.3	Very high	95.6	Very high	61 Å²	61	66.1 Å²	66.1	28%	0.282	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	12.1	173.4	-65.5	83.3	0	0	0	112.6	W101 L102 Q103 I107 V127 L131	W101-H105 AromaticContact CD1-CE1 3.74Å; W101-H105 AromaticContact CD1-ND1 3.94Å; W101-H105 AromaticContact NE1-CE1 3.67Å; W101-H105 PolarHBondContact O-ND1 3.12Å; L102-H105 PolarHBondContact O-N 3.31Å; L102-H105 VanDerWaalsContact O-N 3.08Å; Q103-H105 PolarHBondContact O-N 3.04Å; H105-I107 VanDerWaalsContact C-N 3.3Å; H105-I107 PolarHBondContact O-N 3.31Å; H105-V127 HydrophobicContact CB-CG1 4.37Å; H105-V127 WeakPolarHBondContact O-CG1 3.45Å; H105-L131 HydrophobicContact CB-CD1 3.93Å
106	G	95.1	Very high	95.7	Very high	61 Å²	61	67 Å²	67	63%	0.629	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	4.7	179.5	0	0	0	0	0	114.9	L102 Q103 S108	L102-G106 PolarHBondContact O-N 2.63Å; Q103-G106 PolarHBondContact O-N 3.18Å; G106-S108 PolarHBondContact O-N 2.68Å
107	I	95.8	Very high	95.7	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.313	C	S	.	.			trans	-86.5	106.8	-179.3	-53	175.6	0	0	0	109	L102 Q103 H105 C121 T123 V127 L131	L102-I107 CarbonylContact C-O 3.47Å; L102-I107 HydrophobicContact CB-CB 4.19Å; L102-I107 HydrophobicContact CD2-CD1 4.06Å; L102-I107 HydrophobicContact CD2-CG2 4.47Å; L102-I107 WeakPolarHBondContact O-CB 3.49Å; L102-I107 PolarHBondContact O-N 3.36Å; Q103-I107 PolarHBondContact N-O 3.3Å; H105-I107 VanDerWaalsContact C-N 3.3Å; H105-I107 PolarHBondContact O-N 3.31Å; I107-C121 HydrophobicContact CG2-CB 3.71Å; I107-T123 HydrophobicContact CD1-CG2 4.27Å; I107-V127 HydrophobicContact CD1-CG1 4.04Å; I107-V127 HydrophobicContact CG1-CG1 3.93Å; I107-L131 HydrophobicContact CD1-CD1 4.36Å; I107-L131 HydrophobicContact CD1-CD2 3.64Å; I107-L131 HydrophobicContact CD1-CG 4.47Å
108	S	89.4	Confident	95.7	Very high	102 Å²	102	58.3 Å²	58.3	71%	0.713	30%	0.303	S	S	*	.			trans	-122.5	-23	-177.8	54	0	0	0	0	113.8	G106 C110	G106-S108 PolarHBondContact O-N 2.68Å; S108-C110 VanDerWaalsContact C-N 3.33Å; S108-C110 PolarHBondContact O-N 3.11Å
109	N	88.3	Confident	95.7	Very high	97 Å²	97	58.4 Å²	58.4	52%	0.519	30%	0.304	S	S	.	.			trans	-84.3	76.2	178	-173	22.7	0	0	0	110.7	C121 S122	N109-C121 WeakPolarHBondContact O-CA 3.36Å; N109-S122 PolarHBondContact O-N 3.16Å
110	C	95	Very high	95.6	Very high	34 Å²	34	57 Å²	57	23%	0.23	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.3	177.1	-63.1	0	0	0	0	111.2	S108 Q120 C121	S108-C110 VanDerWaalsContact C-N 3.33Å; S108-C110 PolarHBondContact O-N 3.11Å; C110-Q120 CarbonylContact C-O 3.5Å; C110-Q120 VanDerWaalsContact CA-O 3.22Å; C110-Q120 WeakPolarHBondContact CA-O 3.35Å; C110-C121 HydrophobicContact CB-CB 4.14Å; C110-C121 WeakPolarHBondContact CB-SG 3.5Å; C110-C121 WeakPolarHBondContact SG-CB 3.21Å; C110-C121 CovalentContact SG-SG 2.04Å; C110-C121 PolarHBondContact SG-SG 2.94Å
111	R	95.2	Very high	95.6	Very high	182 Å²	182	49.1 Å²	49.1	69%	0.687	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.1	173.1	-62	178.7	-176.4	175.6	1.3	109.4	L119 Q120	R111-L119 CarbonylContact O-C 3.51Å; R111-L119 WeakPolarHBondContact O-CA 3.07Å; R111-Q120 PolarHBondContact N-O 3.13Å; R111-Q120 PolarHBondContact O-N 3.27Å
112	T	96.1	Very high	95.5	Very high	71 Å²	71	49.2 Å²	49.2	44%	0.436	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	168.8	173.3	-160.7	0	0	0	0	111	F118	T112-F118 WeakPolarHBondContact CA-O 3.43Å; T112-F118 PolarHBondContact OG1-O 2.93Å
113	V	95.9	Very high	95.4	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.048	27%	0.274	C	S	.	.			trans	-102.2	168	173.6	-64.2	0	0	0	0	110.9	T115 Q116 F118 V303 N307	V113-T115 WeakPolarHBondContact CG2-OG1 3.41Å; V113-T115 PolarHBondContact O-N 2.59Å; V113-Q116 WeakPolarHBondContact O-CA 3.41Å; V113-Q116 PolarHBondContact O-N 3.24Å; V113-F118 HydrophobicContact CG2-CB 4.1Å; V113-F118 HydrophobicContact CG2-CD2 4.32Å; V113-V303 HydrophobicContact CG1-CG1 3.39Å; V113-V303 WeakPolarHBondContact CG1-O 3.3Å; V113-N307 WeakPolarHBondContact CA-OD1 3.41Å; V113-N307 HydrophobicContact CB-CB 4Å; V113-N307 HydrophobicContact CG1-CB 3.96Å
114	H	97.1	Very high	95.5	Very high	68 Å²	68	45.5 Å²	45.5	32%	0.315	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.5	179.2	-169	90.8	0	0	0	113.7	L81 Q82 S85 Q116 N307	L81-H114 HydrophobicContact CD2-CB 3.87Å; L81-H114 HydrophobicContact CG-CB 4.27Å; Q82-H114 PolarHBondContact OE1-CE1 3.26Å; Q82-H114 VanDerWaalsContact OE1-CE1 3.31Å; Q82-H114 PolarHBondContact OE1-NE2 3.3Å; Q82-H114 VanDerWaalsContact OE1-NE2 3.12Å; S85-H114 PolarHBondContact OG-O 3.42Å; H114-Q116 VanDerWaalsContact C-N 3.27Å; H114-Q116 PolarHBondContact O-N 3.25Å; H114-N307 PolarHBondContact N-OD1 2.86Å
115	T	97.5	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.7	175.3	49.3	0	0	0	0	114.5	L81 V84 R89 V113 D117 S306 K340	L81-T115 HydrophobicContact CD1-CG2 3.84Å; V84-T115 HydrophobicContact CG1-CG2 4.32Å; R89-T115 WeakPolarHBondContact CA-O 3.04Å; R89-T115 WeakPolarHBondContact CB-O 3.38Å; V113-T115 WeakPolarHBondContact CG2-OG1 3.41Å; V113-T115 PolarHBondContact O-N 2.59Å; T115-D117 WeakPolarHBondContact CB-OD1 3.34Å; T115-D117 PolarHBondContact O-N 3.33Å; T115-D117 VanDerWaalsContact OG1-CG 3.31Å; T115-D117 PolarHBondContact OG1-OD1 2.89Å; T115-D117 PolarHBondContact OG1-OD2 3.45Å; T115-S306 WeakPolarHBondContact OG1-CB 3.39Å; T115-K340 PolarHBondContact OG1-NZ 3.42Å
116	Q	97.9	Very high	95.6	Very high	64 Å²	64	44.3 Å²	44.3	30%	0.299	25%	0.245	S	C	.	.	S	Bend	trans	59.1	11.3	177	-54.8	-179.4	10.3	0	0	115.7	R89 P90 V113 H114	R89-Q116 HydrophobicContact CB-CB 4.49Å; P90-Q116 VanDerWaalsContact CD-O 3.3Å; P90-Q116 WeakPolarHBondContact CD-O 3.39Å; P90-Q116 WeakPolarHBondContact CG-O 3.5Å; V113-Q116 WeakPolarHBondContact O-CA 3.41Å; V113-Q116 PolarHBondContact O-N 3.24Å; H114-Q116 VanDerWaalsContact C-N 3.27Å; H114-Q116 PolarHBondContact O-N 3.25Å
117	D	98.1	Very high	95.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.			trans	-99.5	0.3	-175.1	53.1	6.3	0	0	0	113.9	L52 Q54 P90 T115 R333 K340	L52-D117 PolarHBondContact N-O 3.02Å; Q54-D117 HydrophobicContact CG-CB 3.77Å; Q54-D117 PolarHBondContact NE2-OD2 2.91Å; P90-D117 HydrophobicContact CG-CB 3.96Å; T115-D117 WeakPolarHBondContact CB-OD1 3.34Å; T115-D117 PolarHBondContact O-N 3.33Å; T115-D117 VanDerWaalsContact OG1-CG 3.31Å; T115-D117 PolarHBondContact OG1-OD1 2.89Å; T115-D117 PolarHBondContact OG1-OD2 3.45Å; D117-R333 PolarHBondContact O-NH2 3.03Å; D117-R333 IonicContact OD1-NH2 2.64Å; D117-K340 IonicContact OD1-NZ 3.36Å; D117-K340 IonicContact OD2-NZ 3.73Å; D117-K340 PolarHBondContact OD2-NZ 3.37Å
118	F	98.1	Very high	95.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.3	168	-69.9	-74	0	0	0	110.8	T49 F50 A51 T112 V113 L299 V303 E337	T49-F118 HydrophobicContact CG2-CD1 3.8Å; T49-F118 HydrophobicContact CG2-CE1 4.46Å; F50-F118 WeakPolarHBondContact O-CA 3.3Å; A51-F118 HydrophobicContact CB-CD1 4.09Å; A51-F118 HydrophobicContact CB-CE1 3.76Å; T112-F118 WeakPolarHBondContact CA-O 3.43Å; T112-F118 PolarHBondContact OG1-O 2.93Å; V113-F118 HydrophobicContact CG2-CB 4.1Å; V113-F118 HydrophobicContact CG2-CD2 4.32Å; F118-L299 HydrophobicContact CE1-CD1 4Å; F118-L299 HydrophobicContact CZ-CD1 4.13Å; F118-V303 HydrophobicContact CB-CG2 4.26Å; F118-V303 HydrophobicContact CD1-CG2 4.11Å; F118-V303 HydrophobicContact CD2-CG2 3.89Å; F118-V303 HydrophobicContact CE1-CG2 4.38Å; F118-V303 HydrophobicContact CE2-CG2 4.15Å; F118-V303 HydrophobicContact CG-CG2 3.84Å; F118-V303 HydrophobicContact CZ-CG2 4.38Å; F118-E337 HydrophobicContact CE2-CG 4.21Å; F118-E337 HydrophobicContact CZ-CG 4.18Å
119	L	97	Very high	96.1	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.5	168.4	-69.7	176.6	0	0	0	109.4	T49 F50 L52 V98 L102 R111	T49-L119 CarbonylContact C-O 3.57Å; T49-L119 WeakPolarHBondContact CA-O 3.37Å; F50-L119 HydrophobicContact CB-CB 4.3Å; F50-L119 PolarHBondContact N-O 3.03Å; F50-L119 PolarHBondContact O-N 2.9Å; L52-L119 HydrophobicContact CD1-CB 4.18Å; L52-L119 HydrophobicContact CD1-CD1 3.97Å; L52-L119 HydrophobicContact CD1-CG 3.89Å; L52-L119 HydrophobicContact CD2-CD1 4.07Å; L52-L119 HydrophobicContact CD2-CG 4.32Å; V98-L119 HydrophobicContact CG1-CD1 3.98Å; L102-L119 HydrophobicContact CD1-CD1 4.18Å; R111-L119 CarbonylContact O-C 3.51Å; R111-L119 WeakPolarHBondContact O-CA 3.07Å
120	Q	95.4	Very high	96.5	Very high	36 Å²	36	37.9 Å²	37.9	17%	0.168	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.6	175.1	-51.1	-163.1	-77.1	0	0	108.6	L48 T49 C110 R111 V303	L48-Q120 WeakPolarHBondContact O-CA 3.33Å; T49-Q120 HydrophobicContact CG2-CG 4.29Å; T49-Q120 PolarHBondContact OG1-NE2 3.01Å; C110-Q120 CarbonylContact C-O 3.5Å; C110-Q120 VanDerWaalsContact CA-O 3.22Å; C110-Q120 WeakPolarHBondContact CA-O 3.35Å; R111-Q120 PolarHBondContact N-O 3.13Å; R111-Q120 PolarHBondContact O-N 3.27Å; Q120-V303 HydrophobicContact CG-CG1 4.45Å
121	C	95.7	Very high	96.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.5	-173.7	-54.5	0	0	0	0	111.6	L48 F50 I107 N109 C110	L48-C121 PolarHBondContact N-O 3.42Å; L48-C121 PolarHBondContact O-N 3.4Å; F50-C121 HydrophobicContact CD2-CB 4.47Å; F50-C121 HydrophobicContact CE2-CB 4.02Å; I107-C121 HydrophobicContact CG2-CB 3.71Å; N109-C121 WeakPolarHBondContact O-CA 3.36Å; C110-C121 HydrophobicContact CB-CB 4.14Å; C110-C121 WeakPolarHBondContact CB-SG 3.5Å; C110-C121 WeakPolarHBondContact SG-CB 3.21Å; C110-C121 CovalentContact SG-SG 2.04Å; C110-C121 PolarHBondContact SG-SG 2.94Å
122	S	94.5	Very high	96.6	Very high	19 Å²	19	27.7 Å²	27.7	13%	0.133	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.1	172.5	-157.8	0	0	0	0	110.2	L46 E47 N109	L46-S122 WeakPolarHBondContact O-CA 3.34Å; E47-S122 WeakPolarHBondContact OE1-CB 3.48Å; E47-S122 PolarHBondContact OE1-OG 3.37Å; N109-S122 PolarHBondContact O-N 3.16Å
123	T	95.5	Very high	96.6	Very high	11 Å²	11	26.7 Å²	26.7	7%	0.067	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	167.6	178.9	-167.7	0	0	0	0	111.3	Q45 L46 L48 I107 V127 A128	Q45-T123 CarbonylContact C-O 3.42Å; Q45-T123 WeakPolarHBondContact CA-O 3.43Å; Q45-T123 PolarHBondContact OE1-O 3.17Å; L46-T123 PolarHBondContact N-O 2.76Å; L46-T123 PolarHBondContact O-N 2.9Å; L48-T123 HydrophobicContact CD1-CG2 4.39Å; I107-T123 HydrophobicContact CD1-CG2 4.27Å; T123-V127 WeakPolarHBondContact OG1-CB 3.43Å; T123-V127 VanDerWaalsContact OG1-CG1 3.25Å; T123-V127 WeakPolarHBondContact OG1-CG1 3.49Å; T123-A128 HydrophobicContact CG2-CB 3.93Å
124	T	96.5	Very high	96.5	Very high	35 Å²	35	28.3 Å²	28.3	22%	0.215	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	157.5	174.2	67.4	0	0	0	0	111.7	P42 E44 E126 V127 A128	P42-T124 WeakPolarHBondContact O-CB 3.34Å; E44-T124 CarbonylContact O-C 3.54Å; E44-T124 WeakPolarHBondContact O-CA 3.24Å; T124-E126 VanDerWaalsContact C-N 3.27Å; T124-E126 PolarHBondContact O-N 2.82Å; T124-V127 PolarHBondContact O-N 3Å; T124-V127 WeakPolarHBondContact OG1-CG2 3.3Å; T124-V127 PolarHBondContact OG1-N 2.92Å; T124-A128 WeakPolarHBondContact O-CB 3.42Å; T124-A128 PolarHBondContact O-N 2.86Å
125	A	96.6	Very high	96.5	Very high	3 Å²	3	25 Å²	25	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-57.3	-39.1	175	0	0	0	0	0	112.8	V40 P42 E44 L46 A128 E129	V40-A125 HydrophobicContact CG1-CB 3.81Å; P42-A125 PolarHBondContact O-N 2.79Å; E44-A125 PolarHBondContact O-N 3.43Å; L46-A125 HydrophobicContact CD1-CB 3.89Å; L46-A125 HydrophobicContact CD2-CB 4.45Å; L46-A125 HydrophobicContact CG-CB 4.19Å; A125-A128 PolarHBondContact O-N 3.27Å; A125-E129 WeakPolarHBondContact O-CG 3.26Å; A125-E129 PolarHBondContact O-N 3.49Å
126	E	97.5	Very high	96.4	Very high	131 Å²	131	30.9 Å²	30.9	61%	0.612	17%	0.174	S	C	*	.	H	α-helix	trans	-59.5	-49.9	175.5	-173.4	175.3	-159.6	0	0	112.1	P42 T124 E129 A130	P42-E126 HydrophobicContact CB-CB 3.96Å; P42-E126 WeakPolarHBondContact O-CB 3.37Å; P42-E126 PolarHBondContact O-N 3.24Å; T124-E126 VanDerWaalsContact C-N 3.27Å; T124-E126 PolarHBondContact O-N 2.82Å; E126-E129 PolarHBondContact O-N 2.94Å; E126-A130 PolarHBondContact O-N 2.93Å; E126-A130 VanDerWaalsContact O-N 3.1Å
127	V	97.3	Very high	96.3	Very high	40 Å²	40	27.8 Å²	27.8	24%	0.242	16%	0.16	C	C	.	.	H	α-helix	trans	-67.9	-38.8	-179.5	173.6	0	0	0	0	110.5	H105 I107 T123 T124 E129 A130 L131	H105-V127 HydrophobicContact CB-CG1 4.37Å; H105-V127 WeakPolarHBondContact O-CG1 3.45Å; I107-V127 HydrophobicContact CD1-CG1 4.04Å; I107-V127 HydrophobicContact CG1-CG1 3.93Å; T123-V127 WeakPolarHBondContact OG1-CB 3.43Å; T123-V127 VanDerWaalsContact OG1-CG1 3.25Å; T123-V127 WeakPolarHBondContact OG1-CG1 3.49Å; T124-V127 PolarHBondContact O-N 3Å; T124-V127 WeakPolarHBondContact OG1-CG2 3.3Å; T124-V127 PolarHBondContact OG1-N 2.92Å; V127-E129 VanDerWaalsContact C-N 3.34Å; V127-E129 PolarHBondContact O-N 2.85Å; V127-A130 PolarHBondContact O-N 3.2Å; V127-L131 VanDerWaalsContact O-CB 3.23Å; V127-L131 WeakPolarHBondContact O-CB 3.43Å; V127-L131 PolarHBondContact O-N 3.3Å
128	A	96.8	Very high	96.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-42	176.2	0	0	0	0	0	112.3	L46 L48 T123 T124 A125 L131 L132 F137	L46-A128 HydrophobicContact CD1-CB 3.91Å; L48-A128 HydrophobicContact CD1-CB 3.97Å; T123-A128 HydrophobicContact CG2-CB 3.93Å; T124-A128 WeakPolarHBondContact O-CB 3.42Å; T124-A128 PolarHBondContact O-N 2.86Å; A125-A128 PolarHBondContact O-N 3.27Å; A128-L131 PolarHBondContact O-N 3.3Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 PolarHBondContact O-N 3.16Å; A128-F137 HydrophobicContact CB-CD2 4.49Å; A128-F137 HydrophobicContact CB-CE2 3.7Å; A128-F137 HydrophobicContact CB-CZ 4.31Å
129	E	97.3	Very high	96	Very high	26 Å²	26	32.1 Å²	32.1	12%	0.121	18%	0.177	C	C	.	.	H	α-helix	trans	-73.5	-31.2	179.1	-69.2	-172.8	-178.5	0	0	113.6	R39 A125 E126 V127 L132 R136 F137	R39-E129 IonicContact CZ-OE1 2.65Å; R39-E129 IonicContact CZ-OE2 3.57Å; R39-E129 IonicContact NH1-OE1 3.79Å; R39-E129 PolarHBondContact NH1-OE1 3.4Å; R39-E129 IonicContact NH2-OE1 3.54Å; R39-E129 PolarHBondContact NH2-OE1 2.92Å; R39-E129 IonicContact NH2-OE2 3.22Å; R39-E129 PolarHBondContact NH2-OE2 3.5Å; A125-E129 WeakPolarHBondContact O-CG 3.26Å; A125-E129 PolarHBondContact O-N 3.49Å; E126-E129 PolarHBondContact O-N 2.94Å; V127-E129 VanDerWaalsContact C-N 3.34Å; V127-E129 PolarHBondContact O-N 2.85Å; E129-L132 CarbonylContact O-C 3.59Å; E129-R136 WeakPolarHBondContact OE1-CA 3.49Å; E129-R136 IonicContact OE2-CZ 2.91Å; E129-R136 IonicContact OE2-NH1 3.52Å; E129-R136 PolarHBondContact OE2-NH1 2.83Å; E129-F137 HydrophobicContact CG-CD2 3.69Å; E129-F137 HydrophobicContact CG-CE2 3.98Å; E129-F137 PolarHBondContact OE1-N 3.41Å
130	A	96.2	Very high	95.8	Very high	64 Å²	64	32.6 Å²	32.6	53%	0.529	18%	0.179	S	C	.	.	H	α-helix	trans	-68	-41.4	170.3	0	0	0	0	0	111.5	E126 V127	E126-A130 PolarHBondContact O-N 2.93Å; E126-A130 VanDerWaalsContact O-N 3.1Å; V127-A130 PolarHBondContact O-N 3.2Å
131	L	96	Very high	95.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-37.3	177	-176.2	78.7	0	0	0	112.1	F50 W101 L102 H105 I107 V127 A128 P133	F50-L131 HydrophobicContact CE1-CD2 3.9Å; F50-L131 HydrophobicContact CZ-CD2 3.63Å; W101-L131 HydrophobicContact CD2-CD1 3.93Å; W101-L131 HydrophobicContact CE3-CD1 4.36Å; W101-L131 HydrophobicContact CH2-CD1 3.88Å; W101-L131 HydrophobicContact CH2-CD2 3.94Å; W101-L131 HydrophobicContact CH2-CG 3.73Å; W101-L131 HydrophobicContact CZ2-CD1 3.38Å; W101-L131 HydrophobicContact CZ2-CD2 4.19Å; W101-L131 HydrophobicContact CZ2-CG 3.46Å; W101-L131 VanDerWaalsContact CZ2-CG 3.46Å; W101-L131 WeakPolarHBondContact CZ2-O 3.37Å; W101-L131 HydrophobicContact CZ3-CD1 4.32Å; W101-L131 HydrophobicContact CZ3-CD2 4.42Å; W101-L131 HydrophobicContact CZ3-CG 4.49Å; L102-L131 HydrophobicContact CD2-CD1 4.39Å; L102-L131 HydrophobicContact CD2-CD2 3.93Å; H105-L131 HydrophobicContact CB-CD1 3.93Å; I107-L131 HydrophobicContact CD1-CD1 4.36Å; I107-L131 HydrophobicContact CD1-CD2 3.64Å; I107-L131 HydrophobicContact CD1-CG 4.47Å; V127-L131 VanDerWaalsContact O-CB 3.23Å; V127-L131 WeakPolarHBondContact O-CB 3.43Å; V127-L131 PolarHBondContact O-N 3.3Å; A128-L131 PolarHBondContact O-N 3.3Å; L131-P133 VanDerWaalsContact C-CD 3.49Å; L131-P133 VanDerWaalsContact O-CD 3.32Å; L131-P133 WeakPolarHBondContact O-CD 3.39Å
132	L	96.5	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-120.3	74.6	-174.3	-55.7	175.9	0	0	0	110.8	L48 W101 A128 E129 G134 S135 Y154 V156 V167 L170	L48-L132 HydrophobicContact CD1-CD1 4.04Å; W101-L132 HydrophobicContact CH2-CD2 3.94Å; W101-L132 HydrophobicContact CZ2-CD2 4.26Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 PolarHBondContact O-N 3.16Å; E129-L132 CarbonylContact O-C 3.59Å; L132-G134 PolarHBondContact O-N 3.21Å; L132-S135 WeakPolarHBondContact O-CB 3.45Å; L132-S135 PolarHBondContact O-N 3.39Å; L132-S135 VanDerWaalsContact O-N 3.08Å; L132-S135 PolarHBondContact O-OG 3.39Å; L132-Y154 HydrophobicContact CB-CD2 4.32Å; L132-Y154 HydrophobicContact CD2-CD2 4.06Å; L132-Y154 HydrophobicContact CD2-CE2 4.48Å; L132-V156 HydrophobicContact CD2-CG1 3.76Å; L132-V167 HydrophobicContact CD1-CB 4.46Å; L132-V167 HydrophobicContact CD1-CG1 4.08Å; L132-V167 HydrophobicContact CD2-CG2 4.15Å; L132-L170 HydrophobicContact CD1-CD1 4.03Å; L132-L170 HydrophobicContact CD1-CD2 3.92Å
133	P	95.9	Very high	94.3	Very high	50 Å²	50	40.7 Å²	40.7	33%	0.325	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	132.3	-175.9	-26.4	33.7	0	0	0	112.7	L131 S155	L131-P133 VanDerWaalsContact C-CD 3.49Å; L131-P133 VanDerWaalsContact O-CD 3.32Å; L131-P133 WeakPolarHBondContact O-CD 3.39Å; P133-S155 WeakPolarHBondContact CD-O 3.32Å; P133-S155 PolarHBondContact O-N 2.98Å; P133-S155 PolarHBondContact O-OG 3.45Å
134	G	93.9	Very high	93.3	Very high	41 Å²	41	43.6 Å²	43.6	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.8	-27.5	-176	0	0	0	0	0	113.4	L132 S152 P153	L132-G134 PolarHBondContact O-N 3.21Å; G134-S152 WeakPolarHBondContact O-CB 3.38Å; G134-P153 CarbonylContact C-O 3.52Å; G134-P153 WeakPolarHBondContact CA-O 3.4Å
135	S	95.5	Very high	92.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.26	C	S	.	.			trans	-65	144.3	178.1	64	0	0	0	0	112.5	L132 S150	L132-S135 WeakPolarHBondContact O-CB 3.45Å; L132-S135 PolarHBondContact O-N 3.39Å; L132-S135 VanDerWaalsContact O-N 3.08Å; L132-S135 PolarHBondContact O-OG 3.39Å; S135-S150 VanDerWaalsContact CA-OG 3.31Å; S135-S150 WeakPolarHBondContact CA-OG 3.39Å
136	R	95.6	Very high	92	Very high	122 Å²	122	46.7 Å²	46.7	46%	0.46	27%	0.268	S	S	.	.			trans	-144.4	86.4	-178.7	-67.3	-62.2	179.9	-144.5	-1.1	111	R39 E129 H138 S150 S151	R39-R136 VanDerWaalsContact NH1-CA 3.3Å; E129-R136 WeakPolarHBondContact OE1-CA 3.49Å; E129-R136 IonicContact OE2-CZ 2.91Å; E129-R136 IonicContact OE2-NH1 3.52Å; E129-R136 PolarHBondContact OE2-NH1 2.83Å; R136-H138 PolarHBondContact O-N 3.1Å; R136-H138 PolarHBondContact O-ND1 3.41Å; R136-S150 PolarHBondContact N-OG 2.95Å; R136-S150 VanDerWaalsContact O-CA 3.31Å; R136-S150 WeakPolarHBondContact O-CA 3.44Å; R136-S151 PolarHBondContact O-N 2.89Å; R136-S151 PolarHBondContact O-OG 2.97Å
137	F	96.3	Very high	91.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	120.1	177.6	-63.7	-75.3	0	0	0	115.1	R39 V40 L46 L48 A128 E129 V148 R149 L170	R39-F137 VanDerWaalsContact NH1-C 3.29Å; R39-F137 PolarHBondContact NH1-O 2.73Å; V40-F137 HydrophobicContact CB-CB 4.24Å; V40-F137 HydrophobicContact CG2-CB 4.24Å; V40-F137 PolarHBondContact N-O 2.95Å; L46-F137 HydrophobicContact CD1-CD1 3.98Å; L46-F137 HydrophobicContact CD1-CD2 3.64Å; L46-F137 HydrophobicContact CD1-CE1 4.02Å; L46-F137 HydrophobicContact CD1-CE2 3.71Å; L46-F137 HydrophobicContact CD1-CG 3.78Å; L46-F137 HydrophobicContact CD1-CZ 3.89Å; L48-F137 HydrophobicContact CD2-CZ 4.34Å; A128-F137 HydrophobicContact CB-CD2 4.49Å; A128-F137 HydrophobicContact CB-CE2 3.7Å; A128-F137 HydrophobicContact CB-CZ 4.31Å; E129-F137 HydrophobicContact CG-CD2 3.69Å; E129-F137 HydrophobicContact CG-CE2 3.98Å; E129-F137 PolarHBondContact OE1-N 3.41Å; F137-V148 HydrophobicContact CB-CG1 3.92Å; F137-V148 HydrophobicContact CD1-CG1 3.8Å; F137-V148 HydrophobicContact CG-CG1 4.22Å; F137-R149 CarbonylContact C-O 3.59Å; F137-R149 WeakPolarHBondContact CA-O 3Å; F137-L170 HydrophobicContact CE1-CG 4.28Å; F137-L170 HydrophobicContact CZ-CD1 4.36Å; F137-L170 HydrophobicContact CZ-CG 4.18Å
138	H	95.4	Very high	91.4	Very high	27 Å²	27	38.7 Å²	38.7	13%	0.125	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.6	171.4	-70.8	83.3	0	0	0	109.5	Q36 G38 R136 Y140 V148 R149 S151	Q36-H138 HydrophobicContact CG-CB 4.18Å; Q36-H138 PolarHBondContact NE2-CD2 3.1Å; Q36-H138 PolarHBondContact NE2-NE2 3.05Å; G38-H138 CarbonylContact O-C 3.58Å; G38-H138 WeakPolarHBondContact O-CA 3.49Å; G38-H138 WeakPolarHBondContact O-CB 3.32Å; G38-H138 PolarHBondContact O-CD2 3.42Å; R136-H138 PolarHBondContact O-N 3.1Å; R136-H138 PolarHBondContact O-ND1 3.41Å; H138-Y140 HydrophobicContact CB-CD2 4.41Å; H138-Y140 HydrophobicContact CB-CE1 4.46Å; H138-Y140 HydrophobicContact CB-CE2 3.62Å; H138-Y140 WeakPolarHBondContact O-CD2 3.15Å; H138-Y140 WeakPolarHBondContact O-CE2 3.47Å; H138-V148 WeakPolarHBondContact O-CA 3.34Å; H138-R149 PolarHBondContact N-O 3.31Å; H138-R149 PolarHBondContact O-N 2.96Å; H138-S151 PolarHBondContact CE1-OG 3.2Å; H138-S151 PolarHBondContact ND1-OG 2.79Å
139	R	94.7	Very high	91.3	Very high	63 Å²	63	38.8 Å²	38.8	24%	0.238	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.2	170.9	-168.3	178.6	-57.6	-99.5	-2.1	109.3	A37 G38 V40 E44 I147 E293	A37-R139 HydrophobicContact CB-CB 4.36Å; A37-R139 HydrophobicContact CB-CG 4.48Å; A37-R139 PolarHBondContact N-O 3.39Å; G38-R139 PolarHBondContact O-N 3.45Å; V40-R139 HydrophobicContact CG2-CB 4.41Å; E44-R139 IonicContact OE1-CZ 3.91Å; E44-R139 IonicContact OE1-NH1 3.42Å; E44-R139 IonicContact OE1-NH2 2.7Å; E44-R139 PolarHBondContact OE1-NH2 2.98Å; E44-R139 IonicContact OE2-CZ 2.67Å; E44-R139 IonicContact OE2-NH2 3.74Å; E44-R139 PolarHBondContact OE2-NH2 2.97Å; R139-I147 CarbonylContact C-O 3.55Å; R139-I147 WeakPolarHBondContact CA-O 3.37Å; R139-E293 IonicContact CZ-OE2 2.89Å; R139-E293 IonicContact NE-OE2 3.71Å; R139-E293 IonicContact NH1-OE1 3.54Å; R139-E293 PolarHBondContact NH1-OE1 3.08Å; R139-E293 IonicContact NH1-OE2 3Å; R139-E293 PolarHBondContact NH1-OE2 3.25Å
140	Y	91.9	Very high	91.2	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.5	177	-60.5	-84	0	0	0	109.5	L30 T35 Q36 H138 S146 I147 R149 S151	L30-Y140 HydrophobicContact CD1-CD1 3.14Å; L30-Y140 HydrophobicContact CD1-CD2 3.48Å; L30-Y140 VanDerWaalsContact CD1-CD2 3.48Å; L30-Y140 HydrophobicContact CD1-CE1 3.25Å; L30-Y140 HydrophobicContact CD1-CE2 3.57Å; L30-Y140 HydrophobicContact CD1-CG 3.24Å; L30-Y140 VanDerWaalsContact CD1-CZ 3.44Å; L30-Y140 HydrophobicContact CG-CE1 4.38Å; T35-Y140 CarbonylContact O-C 3.51Å; T35-Y140 VanDerWaalsContact O-CA 3.28Å; T35-Y140 WeakPolarHBondContact O-CA 3.35Å; Q36-Y140 HydrophobicContact CB-CD1 3.8Å; Q36-Y140 HydrophobicContact CB-CE1 3.56Å; Q36-Y140 HydrophobicContact CG-CD1 4.1Å; Q36-Y140 HydrophobicContact CG-CE1 3.59Å; H138-Y140 HydrophobicContact CB-CD2 4.41Å; H138-Y140 HydrophobicContact CB-CE1 4.46Å; H138-Y140 HydrophobicContact CB-CE2 3.62Å; H138-Y140 WeakPolarHBondContact O-CD2 3.15Å; H138-Y140 WeakPolarHBondContact O-CE2 3.47Å; Y140-S146 CarbonylContact O-C 3.57Å; Y140-S146 VanDerWaalsContact O-CA 3.23Å; Y140-S146 WeakPolarHBondContact O-CA 3.44Å; Y140-I147 PolarHBondContact N-O 2.91Å; Y140-I147 PolarHBondContact O-N 3.34Å; Y140-R149 HydrophobicContact CD2-CB 4.17Å; Y140-R149 HydrophobicContact CE2-CB 4.05Å; Y140-S151 VanDerWaalsContact OH-CB 3.31Å; Y140-S151 WeakPolarHBondContact OH-CB 3.31Å
141	V	89.9	Confident	91	Very high	50 Å²	50	36.4 Å²	36.4	30%	0.303	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.8	-176.5	-179.7	0	0	0	0	110.4	T35 A37 H145	T35-V141 PolarHBondContact N-O 2.75Å; T35-V141 PolarHBondContact O-N 3.35Å; A37-V141 HydrophobicContact CB-CG2 3.89Å; V141-H145 CarbonylContact C-O 3.55Å; V141-H145 WeakPolarHBondContact CA-O 3.33Å; V141-H145 WeakPolarHBondContact CG1-O 3.34Å
142	R	85.6	Confident	90.8	Very high	31 Å²	31	38.3 Å²	38.3	12%	0.117	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	124.8	171.3	-179.3	175.4	68	-177.6	-0.5	109.5	D33 W34 G144 H145 P174 P175	D33-R142 WeakPolarHBondContact OD2-CD 3.37Å; D33-R142 IonicContact OD2-CZ 3.35Å; D33-R142 IonicContact OD2-NE 3.86Å; D33-R142 IonicContact OD2-NH1 2.64Å; D33-R142 PolarHBondContact OD2-NH1 2.83Å; W34-R142 HydrophobicContact CD2-CB 3.73Å; W34-R142 HydrophobicContact CE3-CB 3.57Å; W34-R142 HydrophobicContact CG-CB 4.42Å; W34-R142 HydrophobicContact CH2-CB 3.92Å; W34-R142 HydrophobicContact CZ2-CB 4.07Å; W34-R142 VanDerWaalsContact CZ2-CZ 3.48Å; W34-R142 HydrophobicContact CZ3-CB 3.66Å; R142-G144 PolarHBondContact O-N 2.74Å; R142-G144 VanDerWaalsContact O-N 3.08Å; R142-H145 PolarHBondContact N-O 2.93Å; R142-H145 VanDerWaalsContact O-CB 3.31Å; R142-H145 WeakPolarHBondContact O-CB 3.47Å; R142-H145 PolarHBondContact O-N 3.21Å; R142-P174 PolarHBondContact NH2-O 3.46Å; R142-P175 PolarHBondContact NH2-O 2.76Å
143	N	79.1	Confident	90.7	Very high	145 Å²	145	41 Å²	41	78%	0.775	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	32.8	176.6	-60.4	-18.7	0	0	0	115	H145	N143-H145 VanDerWaalsContact C-N 3.33Å; N143-H145 PolarHBondContact O-CD2 2.79Å; N143-H145 VanDerWaalsContact O-CD2 3.32Å
144	G	75.6	Confident	90.6	Very high	73 Å²	73	38.6 Å²	38.6	75%	0.753	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-1.6	-177.6	0	0	0	0	0	115.1	R142	R142-G144 PolarHBondContact O-N 2.74Å; R142-G144 VanDerWaalsContact O-N 3.08Å
145	H	78.8	Confident	90.7	Very high	74 Å²	74	37 Å²	37	34%	0.343	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.1	173.6	-58.8	-99.9	0	0	0	110.1	V141 R142 N143 E226	V141-H145 CarbonylContact C-O 3.55Å; V141-H145 WeakPolarHBondContact CA-O 3.33Å; V141-H145 WeakPolarHBondContact CG1-O 3.34Å; R142-H145 PolarHBondContact N-O 2.93Å; R142-H145 VanDerWaalsContact O-CB 3.31Å; R142-H145 WeakPolarHBondContact O-CB 3.47Å; R142-H145 PolarHBondContact O-N 3.21Å; N143-H145 VanDerWaalsContact C-N 3.33Å; N143-H145 PolarHBondContact O-CD2 2.79Å; N143-H145 VanDerWaalsContact O-CD2 3.32Å; H145-E226 IonicContact CE1-OE2 3.77Å; H145-E226 PolarHBondContact CE1-OE2 3.13Å; H145-E226 IonicContact CG-OE2 2.77Å; H145-E226 VanDerWaalsContact ND1-CD 3.29Å; H145-E226 IonicContact ND1-OE1 3.68Å; H145-E226 IonicContact ND1-OE2 3.32Å; H145-E226 PolarHBondContact ND1-OE2 3.02Å
146	S	86.8	Confident	90.7	Very high	28 Å²	28	37 Å²	37	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.4	178.6	42	0	0	0	0	111.7	Y140 E293	Y140-S146 CarbonylContact O-C 3.57Å; Y140-S146 VanDerWaalsContact O-CA 3.23Å; Y140-S146 WeakPolarHBondContact O-CA 3.44Å; S146-E293 WeakPolarHBondContact CB-OE1 3.46Å; S146-E293 VanDerWaalsContact O-CG 3.31Å; S146-E293 WeakPolarHBondContact O-CG 3.46Å; S146-E293 VanDerWaalsContact OG-CD 3.24Å; S146-E293 PolarHBondContact OG-OE1 2.82Å
147	I	89.4	Confident	90.4	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.3	170.5	64.9	177.1	0	0	0	109.8	W34 R139 Y140 R149 V173 P174 E293	W34-I147 HydrophobicContact CD2-CD1 4.17Å; W34-I147 HydrophobicContact CE3-CD1 3.97Å; W34-I147 HydrophobicContact CE3-CG1 4Å; W34-I147 HydrophobicContact CH2-CB 4.35Å; W34-I147 HydrophobicContact CH2-CD1 3.63Å; W34-I147 HydrophobicContact CH2-CG1 3.81Å; W34-I147 HydrophobicContact CH2-CG2 3.71Å; W34-I147 HydrophobicContact CZ2-CD1 3.81Å; W34-I147 HydrophobicContact CZ2-CG1 4.48Å; W34-I147 HydrophobicContact CZ3-CB 4.33Å; W34-I147 HydrophobicContact CZ3-CD1 3.72Å; W34-I147 HydrophobicContact CZ3-CG1 3.54Å; W34-I147 HydrophobicContact CZ3-CG2 4.12Å; R139-I147 CarbonylContact C-O 3.55Å; R139-I147 WeakPolarHBondContact CA-O 3.37Å; Y140-I147 PolarHBondContact N-O 2.91Å; Y140-I147 PolarHBondContact O-N 3.34Å; I147-R149 HydrophobicContact CD1-CG 3.99Å; I147-R149 HydrophobicContact CG1-CG 4.36Å; I147-V173 HydrophobicContact CD1-CB 3.87Å; I147-V173 HydrophobicContact CD1-CG1 3.37Å; I147-P174 HydrophobicContact CG2-CG 4.37Å; I147-E293 WeakPolarHBondContact CA-O 3.48Å
148	V	92.9	Very high	89.9	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.2	173.6	168.9	0	0	0	0	108.8	V40 L46 F137 H138 E293 T294	V40-V148 HydrophobicContact CG2-CB 4.35Å; V40-V148 HydrophobicContact CG2-CG1 3.72Å; V40-V148 HydrophobicContact CG2-CG2 3.74Å; L46-V148 HydrophobicContact CD2-CG1 3.84Å; F137-V148 HydrophobicContact CB-CG1 3.92Å; F137-V148 HydrophobicContact CD1-CG1 3.8Å; F137-V148 HydrophobicContact CG-CG1 4.22Å; H138-V148 WeakPolarHBondContact O-CA 3.34Å; V148-E293 HydrophobicContact CB-CB 4.22Å; V148-E293 HydrophobicContact CG2-CB 3.99Å; V148-E293 PolarHBondContact N-O 3Å; V148-T294 HydrophobicContact CB-CG2 3.78Å; V148-T294 HydrophobicContact CG1-CG2 3.88Å
149	R	94.1	Very high	89.7	Confident	2 Å²	2	45 Å²	45	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.8	-179.4	-67.7	-63.2	-178.6	-86.6	-0.4	111.2	F137 H138 Y140 I147 L170 R172 V173 E293 Q295	F137-R149 CarbonylContact C-O 3.59Å; F137-R149 WeakPolarHBondContact CA-O 3Å; H138-R149 PolarHBondContact N-O 3.31Å; H138-R149 PolarHBondContact O-N 2.96Å; Y140-R149 HydrophobicContact CD2-CB 4.17Å; Y140-R149 HydrophobicContact CE2-CB 4.05Å; I147-R149 HydrophobicContact CD1-CG 3.99Å; I147-R149 HydrophobicContact CG1-CG 4.36Å; R149-L170 CarbonylContact C-O 3.54Å; R149-L170 WeakPolarHBondContact CA-O 3.4Å; R149-L170 WeakPolarHBondContact CB-O 3.41Å; R149-L170 VanDerWaalsContact CD-C 3.47Å; R149-L170 VanDerWaalsContact CD-O 3.31Å; R149-L170 WeakPolarHBondContact CD-O 3.5Å; R149-R172 PolarHBondContact NE-O 3.02Å; R149-R172 PolarHBondContact NH2-O 3.5Å; R149-R172 VanDerWaalsContact NH2-O 3.12Å; R149-V173 HydrophobicContact CG-CG1 4.36Å; R149-E293 PolarHBondContact NH1-O 3.35Å; R149-Q295 PolarHBondContact NH2-O 2.86Å
150	S	94.4	Very high	89.6	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.8	171.4	-177.7	0	0	0	0	110.6	S135 R136 S152 L170 H171	S135-S150 VanDerWaalsContact CA-OG 3.31Å; S135-S150 WeakPolarHBondContact CA-OG 3.39Å; R136-S150 PolarHBondContact N-OG 2.95Å; R136-S150 VanDerWaalsContact O-CA 3.31Å; R136-S150 WeakPolarHBondContact O-CA 3.44Å; S150-S152 PolarHBondContact O-N 2.94Å; S150-S152 PolarHBondContact OG-N 2.82Å; S150-S152 PolarHBondContact OG-O 3.42Å; S150-L170 PolarHBondContact N-O 2.73Å; S150-H171 PolarHBondContact O-ND1 2.76Å
151	S	92.4	Very high	89.8	Confident	36 Å²	36	44.3 Å²	44.3	25%	0.252	25%	0.254	S	S	.	.	S	Bend	trans	-78.7	2.9	174.9	65.8	0	0	0	0	113.7	R136 H138 Y140	R136-S151 PolarHBondContact O-N 2.89Å; R136-S151 PolarHBondContact O-OG 2.97Å; H138-S151 PolarHBondContact CE1-OG 3.2Å; H138-S151 PolarHBondContact ND1-OG 2.79Å; Y140-S151 VanDerWaalsContact OH-CB 3.31Å; Y140-S151 WeakPolarHBondContact OH-CB 3.31Å
152	S	92.4	Very high	90	Very high	42 Å²	42	47.2 Å²	47.2	29%	0.294	26%	0.264	S	S	.	.	S	Bend	trans	-148.5	150.6	-172.8	-61.4	0	0	0	0	110.9	G134 S150 H171	G134-S152 WeakPolarHBondContact O-CB 3.38Å; S150-S152 PolarHBondContact O-N 2.94Å; S150-S152 PolarHBondContact OG-N 2.82Å; S150-S152 PolarHBondContact OG-O 3.42Å; S152-H171 PolarHBondContact O-CE1 3.38Å; S152-H171 VanDerWaalsContact O-CE1 3.26Å
153	P	93.8	Very high	90.6	Very high	56 Å²	56	46.2 Å²	46.2	36%	0.364	26%	0.261	S	S	.	.			trans	-58.1	158.5	175.9	-22.4	33.6	0	0	0	112	F21 V28 G134	F21-P153 HydrophobicContact CD1-CB 4.21Å; F21-P153 HydrophobicContact CE1-CB 4.21Å; V28-P153 HydrophobicContact CG1-CG 4.21Å; G134-P153 CarbonylContact C-O 3.52Å; G134-P153 WeakPolarHBondContact CA-O 3.4Å
154	Y	95.2	Very high	91.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.			trans	-122.6	159.8	178.9	72.6	-75	0	0	0	111.3	F21 L22 E23 L132 V167 L170 H171	F21-Y154 VanDerWaalsContact CD1-O 3.22Å; F21-Y154 WeakPolarHBondContact CD1-O 3.29Å; L22-Y154 HydrophobicContact CB-CE1 4.5Å; L22-Y154 HydrophobicContact CB-CE2 3.75Å; L22-Y154 WeakPolarHBondContact CB-OH 2.97Å; L22-Y154 HydrophobicContact CD1-CE2 3.9Å; L22-Y154 HydrophobicContact CG-CE2 4.36Å; E23-Y154 HydrophobicContact CB-CE1 4.44Å; E23-Y154 WeakPolarHBondContact OE2-CE1 3.38Å; E23-Y154 PolarHBondContact OE2-OH 2.74Å; L132-Y154 HydrophobicContact CB-CD2 4.32Å; L132-Y154 HydrophobicContact CD2-CD2 4.06Å; L132-Y154 HydrophobicContact CD2-CE2 4.48Å; Y154-V167 HydrophobicContact CE2-CB 4.02Å; Y154-V167 HydrophobicContact CE2-CG2 3.82Å; Y154-V167 PolarHBondContact OH-N 2.95Å; Y154-L170 HydrophobicContact CD1-CD2 3.23Å; Y154-L170 HydrophobicContact CD2-CD2 3.83Å; Y154-L170 HydrophobicContact CE1-CD2 3.64Å; Y154-L170 HydrophobicContact CE2-CD2 4.17Å; Y154-L170 HydrophobicContact CG-CD2 3.32Å; Y154-H171 AromaticContact CD1-NE2 3.29Å; Y154-H171 VanDerWaalsContact CD1-NE2 3.29Å; Y154-H171 WeakPolarHBondContact CD1-NE2 3.48Å; Y154-H171 AromaticContact CE1-NE2 3.58Å
155	S	95.2	Very high	92.4	Very high	7 Å²	7	37.8 Å²	37.8	5%	0.049	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	164.2	175.3	62.8	0	0	0	0	110.4	G20 P133	G20-S155 WeakPolarHBondContact O-CA 3.31Å; G20-S155 WeakPolarHBondContact O-CB 3.35Å; P133-S155 WeakPolarHBondContact CD-O 3.32Å; P133-S155 PolarHBondContact O-N 2.98Å; P133-S155 PolarHBondContact O-OG 3.45Å
156	V	94.5	Very high	93.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.7	168.6	-63.5	0	0	0	0	109.1	G20 L22 W101 L132 V160 H161	G20-V156 PolarHBondContact N-O 3.39Å; G20-V156 PolarHBondContact O-N 2.7Å; L22-V156 HydrophobicContact CD1-CG1 3.97Å; L22-V156 HydrophobicContact CD1-CG2 3.75Å; L22-V156 HydrophobicContact CG-CG2 4Å; W101-V156 HydrophobicContact CH2-CG1 4.07Å; W101-V156 HydrophobicContact CZ2-CG1 4.08Å; L132-V156 HydrophobicContact CD2-CG1 3.76Å; V156-V160 HydrophobicContact CB-CB 4.44Å; V156-H161 HydrophobicContact CG2-CB 3.82Å
157	H	90.2	Very high	93.8	Very high	73 Å²	73	32.9 Å²	32.9	34%	0.338	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	144.8	172.6	-69.1	-58.7	0	0	0	111	V17 E159 V160 H161	V17-H157 HydrophobicContact CG1-CB 4.42Å; V17-H157 WeakPolarHBondContact CG1-ND1 3.36Å; H157-E159 PolarHBondContact O-N 3.47Å; H157-E159 VanDerWaalsContact O-N 3.1Å; H157-V160 PolarHBondContact O-N 2.62Å; H157-H161 PolarHBondContact O-N 2.73Å
158	N	86.5	Confident	94	Very high	92 Å²	92	32.8 Å²	32.8	49%	0.492	17%	0.172	S	C	.	.	H	α-helix	trans	-56	-32.6	-175.6	-164	49.2	0	0	0	113.3	S18 V160 H161	S18-N158 VanDerWaalsContact O-CB 3.27Å; S18-N158 WeakPolarHBondContact O-CB 3.35Å; S18-N158 PolarHBondContact O-N 3.45Å; S18-N158 VanDerWaalsContact O-N 3.1Å; N158-V160 PolarHBondContact O-N 3.12Å; N158-H161 PolarHBondContact O-N 2.91Å
159	E	89.4	Confident	93.9	Very high	152 Å²	152	32.8 Å²	32.8	71%	0.71	17%	0.173	S	C	*	.	H	α-helix	trans	-58.6	-32.5	174.8	-65.6	-172.2	175.8	0	0	112.8	H157 H163	H157-E159 PolarHBondContact O-N 3.47Å; H157-E159 VanDerWaalsContact O-N 3.1Å; E159-H163 PolarHBondContact O-CD2 3.34Å
160	V	94.6	Very high	93.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-95.5	-30.5	-179.4	-177.4	0	0	0	0	111.5	V97 W101 V156 H157 N158 Q162 H163 L164	V97-V160 HydrophobicContact CG1-CG2 4.42Å; W101-V160 HydrophobicContact CB-CG2 3.91Å; W101-V160 HydrophobicContact CD2-CB 4.41Å; W101-V160 HydrophobicContact CD2-CG1 3.9Å; W101-V160 HydrophobicContact CD2-CG2 3.74Å; W101-V160 HydrophobicContact CE3-CG1 3.71Å; W101-V160 HydrophobicContact CE3-CG2 4.34Å; W101-V160 HydrophobicContact CG-CG2 3.53Å; W101-V160 HydrophobicContact CH2-CG1 4.19Å; W101-V160 HydrophobicContact CZ2-CG1 4.35Å; W101-V160 HydrophobicContact CZ3-CG1 3.88Å; V156-V160 HydrophobicContact CB-CB 4.44Å; H157-V160 PolarHBondContact O-N 2.62Å; N158-V160 PolarHBondContact O-N 3.12Å; V160-Q162 PolarHBondContact O-N 2.72Å; V160-H163 WeakPolarHBondContact O-CA 3.44Å; V160-H163 WeakPolarHBondContact O-CB 3.47Å; V160-H163 PolarHBondContact O-N 3.26Å; V160-L164 HydrophobicContact CG1-CD1 3.63Å; V160-L164 HydrophobicContact CG1-CG 4.01Å; V160-L164 PolarHBondContact O-N 3.4Å
161	H	94.2	Very high	93.6	Very high	57 Å²	57	32.9 Å²	32.9	26%	0.264	17%	0.173	S	C	.	.	H	α-helix	trans	-52.9	-41	-179.1	-174.6	-93.1	0	0	0	112.7	F21 V156 H157 N158 H163	F21-H161 PolarHBondContact O-NE2 2.91Å; V156-H161 HydrophobicContact CG2-CB 3.82Å; H157-H161 PolarHBondContact O-N 2.73Å; N158-H161 PolarHBondContact O-N 2.91Å; H161-H163 PolarHBondContact O-N 3.15Å; H161-H163 VanDerWaalsContact O-N 3.16Å
162	Q	94.6	Very high	93.5	Very high	111 Å²	111	31.7 Å²	31.7	52%	0.519	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.1	177.9	67.5	-179.7	-15.1	0	0	114.5	K53 V160	K53-Q162 WeakPolarHBondContact CD-O 3.31Å; K53-Q162 WeakPolarHBondContact CE-O 3.2Å; K53-Q162 PolarHBondContact NZ-O 2.91Å; K53-Q162 VanDerWaalsContact NZ-O 3.12Å; V160-Q162 PolarHBondContact O-N 2.72Å
163	H	97.7	Very high	93.2	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.051	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-7.1	-173.5	-65.3	-54.7	0	0	0	114.2	K53 T94 V97 V98 E159 V160 H161	K53-H163 PolarHBondContact N-O 2.68Å; T94-H163 HydrophobicContact CG2-CB 3.99Å; T94-H163 PolarHBondContact OG1-ND1 3.37Å; V97-H163 VanDerWaalsContact CG1-CD2 3.49Å; V97-H163 WeakPolarHBondContact CG1-CD2 3.45Å; V98-H163 HydrophobicContact CG2-CB 3.87Å; E159-H163 PolarHBondContact O-CD2 3.34Å; V160-H163 WeakPolarHBondContact O-CA 3.44Å; V160-H163 WeakPolarHBondContact O-CB 3.47Å; V160-H163 PolarHBondContact O-N 3.26Å; H161-H163 PolarHBondContact O-N 3.15Å; H161-H163 VanDerWaalsContact O-N 3.16Å
164	L	97.4	Very high	92.4	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.8	174.9	-64.7	178	0	0	0	110.9	L22 F50 A51 L52 K53 V98 W101 V160 V167	L22-L164 HydrophobicContact CD1-CB 3.96Å; L22-L164 HydrophobicContact CD1-CD1 4.29Å; F50-L164 HydrophobicContact CB-CD2 4.13Å; F50-L164 HydrophobicContact CD1-CD1 4.2Å; A51-L164 CarbonylContact O-C 3.51Å; A51-L164 WeakPolarHBondContact O-CA 3.38Å; L52-L164 HydrophobicContact CD1-CD2 4.07Å; L52-L164 HydrophobicContact CG-CD2 4.24Å; K53-L164 WeakPolarHBondContact CE-O 3.22Å; V98-L164 HydrophobicContact CG1-CD2 4.26Å; V98-L164 HydrophobicContact CG2-CD2 4Å; V98-L164 HydrophobicContact CG2-CG 4.36Å; W101-L164 HydrophobicContact CH2-CD1 4.22Å; W101-L164 HydrophobicContact CZ3-CD1 3.94Å; V160-L164 HydrophobicContact CG1-CD1 3.63Å; V160-L164 HydrophobicContact CG1-CG 4.01Å; V160-L164 PolarHBondContact O-N 3.4Å; L164-V167 HydrophobicContact CD1-CG2 4.34Å
165	D	96.8	Very high	91.1	Very high	38 Å²	38	29.7 Å²	29.7	20%	0.203	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-48.3	165.6	-63.3	-37.9	0	0	0	109.8	A51 K53 R333	A51-D165 HydrophobicContact CB-CB 4.27Å; A51-D165 PolarHBondContact O-N 3.3Å; K53-D165 WeakPolarHBondContact CG-OD1 3.48Å; D165-R333 IonicContact OD2-CZ 2.87Å; D165-R333 IonicContact OD2-NH1 3.08Å; D165-R333 PolarHBondContact OD2-NH1 3.4Å
166	F	96.8	Very high	89.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	175	177.6	68.2	-94.9	0	0	0	112.5	E23 A51 L299 Y330 R333	E23-F166 HydrophobicContact CG-CB 3.63Å; E23-F166 WeakPolarHBondContact OE2-CB 3.37Å; A51-F166 HydrophobicContact CB-CD1 3.8Å; A51-F166 HydrophobicContact CB-CD2 4.24Å; A51-F166 HydrophobicContact CB-CE1 3.72Å; A51-F166 HydrophobicContact CB-CE2 4.14Å; A51-F166 HydrophobicContact CB-CG 4.05Å; A51-F166 HydrophobicContact CB-CZ 3.87Å; A51-F166 WeakPolarHBondContact CB-O 3.36Å; A51-F166 PolarHBondContact N-O 3.33Å; F166-L299 HydrophobicContact CE2-CD1 4.46Å; F166-L299 HydrophobicContact CE2-CD2 3.79Å; F166-L299 HydrophobicContact CZ-CD1 3.98Å; F166-L299 HydrophobicContact CZ-CD2 4.16Å; F166-Y330 AromaticContact CE1-CD2 3.89Å; F166-Y330 HydrophobicContact CE1-CD2 3.89Å; F166-Y330 AromaticContact CE2-CD2 3.94Å; F166-Y330 HydrophobicContact CE2-CD2 3.94Å; F166-Y330 HydrophobicContact CE2-CE2 4.39Å; F166-Y330 AromaticContact CZ-CD2 3.61Å; F166-Y330 HydrophobicContact CZ-CD2 3.61Å; F166-Y330 HydrophobicContact CZ-CE2 4.06Å; F166-R333 HydrophobicContact CD1-CB 4.28Å; F166-R333 HydrophobicContact CD1-CG 4.36Å; F166-R333 HydrophobicContact CE1-CB 3.77Å; F166-R333 HydrophobicContact CE1-CG 3.58Å; F166-R333 HydrophobicContact CZ-CG 4.44Å
167	V	96.8	Very high	88.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.3	169.2	-171.1	0	0	0	0	109.7	L48 T49 F50 L132 Y154 L164 L170	L48-V167 HydrophobicContact CB-CG1 4.14Å; L48-V167 HydrophobicContact CD1-CG1 4.48Å; T49-V167 CarbonylContact O-C 3.42Å; T49-V167 WeakPolarHBondContact O-CA 3.38Å; F50-V167 HydrophobicContact CD1-CB 4.48Å; F50-V167 HydrophobicContact CD1-CG1 4.02Å; F50-V167 HydrophobicContact CD1-CG2 3.69Å; F50-V167 HydrophobicContact CE1-CG1 3.87Å; F50-V167 HydrophobicContact CE1-CG2 3.87Å; F50-V167 HydrophobicContact CZ-CG1 4.23Å; L132-V167 HydrophobicContact CD1-CB 4.46Å; L132-V167 HydrophobicContact CD1-CG1 4.08Å; L132-V167 HydrophobicContact CD2-CG2 4.15Å; Y154-V167 HydrophobicContact CE2-CB 4.02Å; Y154-V167 HydrophobicContact CE2-CG2 3.82Å; Y154-V167 PolarHBondContact OH-N 2.95Å; L164-V167 HydrophobicContact CD1-CG2 4.34Å; V167-L170 HydrophobicContact CB-CD1 3.98Å; V167-L170 HydrophobicContact CG1-CD1 3.61Å
168	G	94.1	Very high	86.3	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	148.5	176.7	0	0	0	0	0	112.3	T49	T49-G168 PolarHBondContact N-O 3.39Å; T49-G168 VanDerWaalsContact N-O 3.14Å; T49-G168 PolarHBondContact O-N 2.92Å
169	G	90.4	Very high	84.1	Confident	1 Å²	1	44 Å²	44	1%	0.01	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	4.3	-177.6	0	0	0	0	0	114.7	T294 E296	G169-T294 WeakPolarHBondContact CA-O 3.38Å; G169-E296 PolarHBondContact N-OE1 3.29Å
170	L	92.3	Very high	82	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-94	-47.6	-175.6	-89.8	75.4	0	0	0	113.9	L48 L132 F137 R149 S150 Y154 V167	L48-L170 HydrophobicContact CD2-CD1 3.83Å; L132-L170 HydrophobicContact CD1-CD1 4.03Å; L132-L170 HydrophobicContact CD1-CD2 3.92Å; F137-L170 HydrophobicContact CE1-CG 4.28Å; F137-L170 HydrophobicContact CZ-CD1 4.36Å; F137-L170 HydrophobicContact CZ-CG 4.18Å; R149-L170 CarbonylContact C-O 3.54Å; R149-L170 WeakPolarHBondContact CA-O 3.4Å; R149-L170 WeakPolarHBondContact CB-O 3.41Å; R149-L170 VanDerWaalsContact CD-C 3.47Å; R149-L170 VanDerWaalsContact CD-O 3.31Å; R149-L170 WeakPolarHBondContact CD-O 3.5Å; S150-L170 PolarHBondContact N-O 2.73Å; Y154-L170 HydrophobicContact CD1-CD2 3.23Å; Y154-L170 HydrophobicContact CD2-CD2 3.83Å; Y154-L170 HydrophobicContact CE1-CD2 3.64Å; Y154-L170 HydrophobicContact CE2-CD2 4.17Å; Y154-L170 HydrophobicContact CG-CD2 3.32Å; V167-L170 HydrophobicContact CB-CD1 3.98Å; V167-L170 HydrophobicContact CG1-CD1 3.61Å
171	H	91.2	Very high	79.6	Confident	7 Å²	7	41.9 Å²	41.9	3%	0.032	20%	0.204	C	C	.	.	S	Bend	trans	-124	-52	-166.1	-58.8	-44.7	0	0	0	114.3	Q26 S150 S152 Y154 V173	Q26-H171 HydrophobicContact CG-CB 3.57Å; S150-H171 PolarHBondContact O-ND1 2.76Å; S152-H171 PolarHBondContact O-CE1 3.38Å; S152-H171 VanDerWaalsContact O-CE1 3.26Å; Y154-H171 AromaticContact CD1-NE2 3.29Å; Y154-H171 VanDerWaalsContact CD1-NE2 3.29Å; Y154-H171 WeakPolarHBondContact CD1-NE2 3.48Å; Y154-H171 AromaticContact CE1-NE2 3.58Å; H171-V173 PolarHBondContact O-N 3.17Å
172	R	90.3	Very high	77.7	Confident	11 Å²	11	48 Å²	48	4%	0.042	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-65	133.9	-171.1	-71.3	164.8	-67.7	-79.8	-4.6	112	E23 Q26 R149 E296 L326 Y330	E23-R172 IonicContact OE1-CZ 2.71Å; E23-R172 IonicContact OE1-NH1 3.67Å; E23-R172 PolarHBondContact OE1-NH1 3.24Å; E23-R172 IonicContact OE1-NH2 2.68Å; Q26-R172 VanDerWaalsContact OE1-NH1 3.11Å; R149-R172 PolarHBondContact NE-O 3.02Å; R149-R172 PolarHBondContact NH2-O 3.5Å; R149-R172 VanDerWaalsContact NH2-O 3.12Å; R172-E296 HydrophobicContact CB-CG 4.43Å; R172-E296 IonicContact CZ-OE1 3.37Å; R172-E296 IonicContact CZ-OE2 3.55Å; R172-E296 VanDerWaalsContact NE-CD 3.31Å; R172-E296 IonicContact NE-OE1 3.67Å; R172-E296 PolarHBondContact NE-OE1 2.93Å; R172-E296 IonicContact NE-OE2 2.84Å; R172-E296 PolarHBondContact NE-OE2 3.06Å; R172-E296 IonicContact NH2-OE1 3.66Å; R172-E296 PolarHBondContact NH2-OE1 3.05Å; R172-E296 IonicContact NH2-OE2 3.78Å; R172-E296 PolarHBondContact NH2-OE2 3.07Å; R172-L326 HydrophobicContact CG-CD2 4.01Å; R172-Y330 VanDerWaalsContact CZ-CD2 3.4Å; R172-Y330 VanDerWaalsContact NE-CE2 3.34Å
173	V	84.5	Confident	75.3	Confident	22 Å²	22	48.5 Å²	48.5	13%	0.133	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-102.6	150.4	179.5	-61.5	0	0	0	0	111	L30 P31 W34 I147 R149 H171	L30-V173 HydrophobicContact CD2-CG1 3.24Å; P31-V173 HydrophobicContact CG-CG2 4.16Å; W34-V173 HydrophobicContact CZ2-CB 4.48Å; I147-V173 HydrophobicContact CD1-CB 3.87Å; I147-V173 HydrophobicContact CD1-CG1 3.37Å; R149-V173 HydrophobicContact CG-CG1 4.36Å; H171-V173 PolarHBondContact O-N 3.17Å
174	P	77.3	Confident	72.6	Confident	10 Å²	10	51.1 Å²	51.1	7%	0.065	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-57	140.2	172.6	-23	33.2	0	0	0	111.2	R142 I147 P297	R142-P174 PolarHBondContact NH2-O 3.46Å; I147-P174 HydrophobicContact CG2-CG 4.37Å; P174-P297 HydrophobicContact CG-CG 4.42Å
175	P	67.7	Low	70	Confident	23 Å²	23	54.9 Å²	54.9	15%	0.149	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-57.8	153.9	-178.7	23	-32.9	0	0	0	110.8	R142 L225 Y319	R142-P175 PolarHBondContact NH2-O 2.76Å; P175-L225 HydrophobicContact CB-CD2 4.45Å; P175-L225 HydrophobicContact CG-CD2 4.03Å; P175-Y319 VanDerWaalsContact CD-CE2 3.46Å; P175-Y319 HydrophobicContact CG-CD2 3.76Å; P175-Y319 HydrophobicContact CG-CE2 3.55Å
176	R	68.3	Low	67.3	Low	145 Å²	145	65.4 Å²	65.4	55%	0.547	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-73	144.3	174.5	-169.5	-173.2	154.8	160.7	-3	109.1	K178	R176-K178 PolarHBondContact O-N 2.93Å
177	E	59.2	Low	64.8	Low	93 Å²	93	68.9 Å²	68.9	44%	0.435	34%	0.341	S	S	.	.			trans	-59.3	107.8	159	-172.5	172.7	-160.2	0	0	108	D179 Q227	E177-D179 PolarHBondContact O-N 3.24Å; E177-Q227 PolarHBondContact OE1-NE2 2.95Å
178	K	52.6	Low	62	Low	120 Å²	120	78 Å²	78	52%	0.522	38%	0.38	S	S	.	.			trans	-73	115.4	163.7	-71.2	-173.2	-179.3	-178.9	0	104.9	R176 A180 S355	R176-K178 PolarHBondContact O-N 2.93Å; K178-A180 PolarHBondContact O-N 2.97Å; K178-S355 PolarHBondContact NZ-OG 2.56Å
179	D	39.3	Very low	59.3	Low	116 Å²	116	83.3 Å²	83.3	62%	0.62	42%	0.424	S	S	*	.			trans	-51.6	115.3	172	-71.5	-59.2	0	0	0	107.2	E177 N181	E177-D179 PolarHBondContact O-N 3.24Å; D179-N181 PolarHBondContact O-N 3.11Å
180	A	46.6	Very low	57.3	Low	23 Å²	23	87.5 Å²	87.5	19%	0.19	47%	0.467	C	S	.	.			trans	-49.7	120.1	170.5	0	0	0	0	0	107.1	K178 R182 L265 V466	K178-A180 PolarHBondContact O-N 2.97Å; A180-R182 PolarHBondContact O-N 3.3Å; A180-L265 HydrophobicContact CB-CD2 3.64Å; A180-V466 HydrophobicContact CB-CG1 4.17Å
181	N	43.7	Very low	55.6	Low	89 Å²	89	89.8 Å²	89.8	48%	0.476	49%	0.486	S	S	.	.			trans	-68.2	98.8	-168.1	-107.8	-31	0	0	0	109.6	D179 K183	D179-N181 PolarHBondContact O-N 3.11Å; N181-K183 PolarHBondContact O-N 3.25Å; N181-K183 VanDerWaalsContact O-N 3.1Å
182	R	53.9	Low	54.3	Low	185 Å²	185	91.9 Å²	91.9	70%	0.698	50%	0.496	S	S	*	.			trans	-75.2	99.1	176	-64.2	179.9	-176.8	175.1	1.5	109.7	A180	A180-R182 PolarHBondContact O-N 3.3Å
183	K	44.9	Very low	53.8	Low	122 Å²	122	95 Å²	95	53%	0.53	51%	0.513	S	S	.	.			trans	-113.7	112.7	169.4	-72.6	-175.5	178.6	176.4	0	109.8	N181 Y400	N181-K183 PolarHBondContact O-N 3.25Å; N181-K183 VanDerWaalsContact O-N 3.1Å; K183-Y400 WeakPolarHBondContact CE-OH 3.34Å; K183-Y400 PolarHBondContact NZ-OH 3.38Å
184	G	41.5	Very low	53.9	Low	66 Å²	66	94.3 Å²	94.3	68%	0.68	51%	0.51	S	S	*	.			trans	-111.4	122.2	-177.9	0	0	0	0	0	113.6
185	P	42.2	Very low	54.7	Low	80 Å²	80	94 Å²	94	52%	0.519	51%	0.508	S	S	.	.			trans	-90.9	145.8	155.5	23.4	-10.7	0	0	0	111.2
186	R	40.8	Very low	56.1	Low	260 Å²	260	94.1 Å²	94.1	98%	0.981	51%	0.508	S	S	*	.			trans	-74.7	133	168.8	-80.1	-180	174.1	170.2	-1.6	109.6
187	S	43.3	Very low	57.6	Low	73 Å²	73	87.2 Å²	87.2	51%	0.51	48%	0.482	S	S	.	.			trans	-144.1	150.9	174.5	-173.7	0	0	0	0	113.9
188	K	38.7	Very low	59.3	Low	191 Å²	191	84.6 Å²	84.6	83%	0.83	48%	0.476	S	S	*	.			trans	-87.9	162.3	-177.2	-76	178.7	173.5	178.1	0	112.1
189	A	37.5	Very low	61.4	Low	112 Å²	112	79.4 Å²	79.4	93%	0.926	46%	0.455	S	S	*	.	S	Bend	trans	-56.4	137.8	-175.4	0	0	0	0	0	115
190	G	47.6	Very low	64.2	Low	90 Å²	90	73.9 Å²	73.9	93%	0.928	43%	0.425	S	S	*	.	S	Bend	trans	124.1	-2.4	173.4	0	0	0	0	0	116.3
191	A	57.3	Low	66.7	Low	47 Å²	47	73.2 Å²	73.2	39%	0.388	42%	0.418	S	S	.	.	S	Bend	trans	-111	149.9	-179.1	0	0	0	0	0	112	L193 F391	A191-L193 PolarHBondContact O-N 3.41Å; A191-F391 HydrophobicContact CB-CB 3.75Å; A191-F391 HydrophobicContact CB-CD1 3.67Å; A191-F391 HydrophobicContact CB-CG 3.88Å
192	H	63.7	Low	69.2	Low	52 Å²	52	73.2 Å²	73.2	24%	0.241	42%	0.421	C	S	.	.			trans	-69.9	130.3	162.9	71.1	84.6	0	0	0	108.2	G194 P390 F391 K392 V393	H192-G194 PolarHBondContact ND1-O 2.95Å; H192-P390 PolarHBondContact CE1-O 3.47Å; H192-F391 VanDerWaalsContact CD2-C 3.46Å; H192-F391 PolarHBondContact CD2-O 3.24Å; H192-F391 PolarHBondContact NE2-O 2.94Å; H192-K392 VanDerWaalsContact NE2-C 3.28Å; H192-K392 VanDerWaalsContact NE2-CA 3.28Å; H192-K392 WeakPolarHBondContact NE2-CA 3.4Å; H192-K392 PolarHBondContact NE2-N 2.86Å; H192-K392 VanDerWaalsContact NE2-N 3.13Å; H192-V393 PolarHBondContact NE2-N 3.07Å
193	L	78.3	Confident	71.3	Confident	77 Å²	77	66.4 Å²	66.4	40%	0.403	40%	0.395	S	S	.	.			trans	-92.8	110.6	175.6	-164.2	67.1	0	0	0	107	A191 W455 W465	A191-L193 PolarHBondContact O-N 3.41Å; L193-W455 HydrophobicContact CD2-CZ2 4.06Å; L193-W455 HydrophobicContact CG-CZ2 4.5Å; L193-W455 PolarHBondContact O-NE1 2.85Å; L193-W465 HydrophobicContact CD1-CH2 3.4Å; L193-W465 VanDerWaalsContact CD1-CH2 3.4Å; L193-W465 HydrophobicContact CD1-CZ2 3.64Å; L193-W465 HydrophobicContact CD2-CZ2 4.09Å; L193-W465 HydrophobicContact CG-CH2 3.94Å; L193-W465 HydrophobicContact CG-CZ2 3.91Å
194	G	87.7	Confident	73.8	Confident	7 Å²	7	60.7 Å²	60.7	7%	0.072	37%	0.37	C	S	.	.	S	Bend	trans	73.6	-168.8	175.4	0	0	0	0	0	115.8	H192 N453	H192-G194 PolarHBondContact ND1-O 2.95Å; G194-N453 CarbonylContact C-O 3.55Å; G194-N453 WeakPolarHBondContact CA-O 3.41Å
195	V	94.9	Very high	76.5	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.024	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-105.8	125.9	-176	175.1	0	0	0	0	109.2	V199 L200 Y273 F387 L450 D452 N453 Y454 W455	V195-V199 HydrophobicContact CG1-CG1 4.31Å; V195-V199 HydrophobicContact CG2-CG1 4.39Å; V195-L200 HydrophobicContact CG1-CD1 4.15Å; V195-L200 HydrophobicContact CG1-CD2 3.78Å; V195-L200 HydrophobicContact CG1-CG 3.68Å; V195-Y273 PolarHBondContact O-OH 2.85Å; V195-F387 HydrophobicContact CG2-CE2 4.37Å; V195-L450 HydrophobicContact CG1-CD1 4.49Å; V195-L450 HydrophobicContact CG2-CD1 4.3Å; V195-D452 WeakPolarHBondContact CG2-O 3.5Å; V195-N453 PolarHBondContact N-O 2.91Å; V195-Y454 HydrophobicContact CB-CD2 3.99Å; V195-Y454 HydrophobicContact CB-CE2 4.16Å; V195-Y454 HydrophobicContact CB-CG 4.21Å; V195-Y454 HydrophobicContact CG1-CD1 4.17Å; V195-Y454 HydrophobicContact CG1-CD2 4.1Å; V195-Y454 HydrophobicContact CG1-CE1 3.91Å; V195-Y454 HydrophobicContact CG1-CE2 3.87Å; V195-Y454 HydrophobicContact CG1-CG 4.21Å; V195-Y454 HydrophobicContact CG2-CD2 4.47Å; V195-Y454 HydrophobicContact CG2-CE2 4.42Å; V195-Y454 WeakPolarHBondContact O-CA 3.23Å; V195-W455 PolarHBondContact O-N 2.83Å
196	T	96.8	Very high	79.2	Confident	24 Å²	24	58.1 Å²	58.1	15%	0.147	34%	0.337	C	S	.	.			trans	-125.8	168.9	176.2	62.6	0	0	0	0	109.4	A198 V199 L200 F241 W455	T196-A198 PolarHBondContact O-N 3.03Å; T196-V199 WeakPolarHBondContact O-CB 3.32Å; T196-V199 PolarHBondContact O-N 2.96Å; T196-L200 PolarHBondContact O-N 3.23Å; T196-F241 HydrophobicContact CG2-CD1 3.96Å; T196-F241 HydrophobicContact CG2-CE1 3.76Å; T196-F241 HydrophobicContact CG2-CZ 4.47Å; T196-W455 HydrophobicContact CG2-CB 4.41Å; T196-W455 HydrophobicContact CG2-CG 4.25Å
197	P	98.3	Very high	81.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-45.9	-44.6	170	-34.8	38.2	0	0	0	114	V199 L200 R201 F237 F241 F245 S276	P197-V199 PolarHBondContact O-N 3.02Å; P197-L200 PolarHBondContact O-N 3.15Å; P197-R201 WeakPolarHBondContact O-CB 3.39Å; P197-R201 VanDerWaalsContact O-CG 3.24Å; P197-R201 WeakPolarHBondContact O-CG 3.38Å; P197-R201 PolarHBondContact O-N 3.21Å; P197-F237 HydrophobicContact CG-CE1 3.6Å; P197-F237 HydrophobicContact CG-CZ 3.44Å; P197-F237 VanDerWaalsContact CG-CZ 3.44Å; P197-F241 HydrophobicContact CB-CB 4.37Å; P197-F241 HydrophobicContact CG-CB 3.7Å; P197-F245 HydrophobicContact CB-CE1 3.86Å; P197-F245 HydrophobicContact CB-CZ 3.94Å; P197-S276 VanDerWaalsContact CG-OG 3.29Å; P197-S276 WeakPolarHBondContact CG-OG 3.42Å
198	A	96.5	Very high	84.5	Confident	38 Å²	38	48.8 Å²	48.8	31%	0.314	31%	0.312	S	S	.	.	H	α-helix	trans	-63.9	-38.9	178.3	0	0	0	0	0	113	T196 T202	T196-A198 PolarHBondContact O-N 3.03Å; A198-T202 VanDerWaalsContact O-CB 3.31Å; A198-T202 WeakPolarHBondContact O-CB 3.47Å; A198-T202 PolarHBondContact O-N 3.34Å; A198-T202 PolarHBondContact O-OG1 3.05Å
199	V	96.5	Very high	87.2	Confident	11 Å²	11	45.1 Å²	45.1	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-47.4	176	167.4	0	0	0	0	110.6	V195 T196 P197 T202 R203 F387 V393	V195-V199 HydrophobicContact CG1-CG1 4.31Å; V195-V199 HydrophobicContact CG2-CG1 4.39Å; T196-V199 WeakPolarHBondContact O-CB 3.32Å; T196-V199 PolarHBondContact O-N 2.96Å; P197-V199 PolarHBondContact O-N 3.02Å; V199-T202 PolarHBondContact O-N 3.25Å; V199-R203 WeakPolarHBondContact O-CB 3.26Å; V199-R203 PolarHBondContact O-N 2.99Å; V199-F387 HydrophobicContact CG1-CE2 3.65Å; V199-F387 HydrophobicContact CG1-CZ 3.87Å; V199-V393 HydrophobicContact CB-CG2 4.45Å; V199-V393 HydrophobicContact CG1-CG2 3.92Å; V199-V393 HydrophobicContact CG2-CG2 4.24Å
200	L	98	Very high	90.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-47.1	179.3	-68.7	168	0	0	0	112	V195 T196 P197 T202 R203 Y204 Y273 T277 L450 Y454 V475	V195-L200 HydrophobicContact CG1-CD1 4.15Å; V195-L200 HydrophobicContact CG1-CD2 3.78Å; V195-L200 HydrophobicContact CG1-CG 3.68Å; T196-L200 PolarHBondContact O-N 3.23Å; P197-L200 PolarHBondContact O-N 3.15Å; L200-T202 VanDerWaalsContact C-N 3.28Å; L200-T202 PolarHBondContact O-N 2.87Å; L200-R203 PolarHBondContact O-N 3.28Å; L200-Y204 HydrophobicContact CB-CD2 4.47Å; L200-Y204 HydrophobicContact CD2-CD2 4.3Å; L200-Y204 HydrophobicContact CD2-CE2 3.7Å; L200-Y204 WeakPolarHBondContact O-CB 3.43Å; L200-Y204 WeakPolarHBondContact O-CD2 3.44Å; L200-Y204 PolarHBondContact O-N 2.7Å; L200-Y273 HydrophobicContact CD1-CD1 3.27Å; L200-Y273 HydrophobicContact CD1-CE1 3.38Å; L200-T277 HydrophobicContact CB-CG2 4.28Å; L200-T277 HydrophobicContact CD1-CG2 4.36Å; L200-L450 HydrophobicContact CD2-CB 4.19Å; L200-L450 HydrophobicContact CD2-CD1 3.92Å; L200-Y454 HydrophobicContact CD1-CE1 3.91Å; L200-Y454 HydrophobicContact CD2-CE1 4.45Å; L200-Y454 WeakPolarHBondContact CD2-OH 3.37Å; L200-V475 HydrophobicContact CD1-CG2 3.63Å; L200-V475 HydrophobicContact CD2-CG1 4.16Å; L200-V475 HydrophobicContact CD2-CG2 4.2Å
201	R	98.1	Very high	92.5	Very high	9 Å²	9	38 Å²	38	3%	0.034	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-39.1	179.2	-68.1	-178.1	77.4	81.7	4.8	111.4	P197 N205 L206 T207 D210 S276	P197-R201 WeakPolarHBondContact O-CB 3.39Å; P197-R201 VanDerWaalsContact O-CG 3.24Å; P197-R201 WeakPolarHBondContact O-CG 3.38Å; P197-R201 PolarHBondContact O-N 3.21Å; R201-N205 CarbonylContact O-C 3.46Å; R201-N205 PolarHBondContact O-N 3.25Å; R201-N205 VanDerWaalsContact O-N 3.12Å; R201-L206 HydrophobicContact CB-CB 3.91Å; R201-L206 HydrophobicContact CB-CD1 4.5Å; R201-L206 HydrophobicContact CG-CB 4.04Å; R201-L206 HydrophobicContact CG-CD1 4.05Å; R201-L206 PolarHBondContact O-N 2.92Å; R201-T207 PolarHBondContact NH2-O 2.96Å; R201-D210 PolarHBondContact NH2-O 2.85Å; R201-S276 PolarHBondContact NH1-O 2.96Å
202	T	97	Very high	94.4	Very high	89 Å²	89	36 Å²	36	55%	0.546	22%	0.216	S	C	.	.	H	α-helix	trans	-65.5	-49.4	173.8	-57	0	0	0	0	111.6	A198 V199 L200 Y204 N205 V393	A198-T202 VanDerWaalsContact O-CB 3.31Å; A198-T202 WeakPolarHBondContact O-CB 3.47Å; A198-T202 PolarHBondContact O-N 3.34Å; A198-T202 PolarHBondContact O-OG1 3.05Å; V199-T202 PolarHBondContact O-N 3.25Å; L200-T202 VanDerWaalsContact C-N 3.28Å; L200-T202 PolarHBondContact O-N 2.87Å; T202-Y204 PolarHBondContact O-N 3.34Å; T202-N205 PolarHBondContact O-N 3.22Å; T202-V393 HydrophobicContact CG2-CG1 4.25Å
203	R	97.4	Very high	95.6	Very high	43 Å²	43	38.2 Å²	38.2	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-43.9	-176.7	175.7	50.1	-174.7	158.9	6.4	112.3	V199 L200 N205 F387 V393 T394 E396 L450	V199-R203 WeakPolarHBondContact O-CB 3.26Å; V199-R203 PolarHBondContact O-N 2.99Å; L200-R203 PolarHBondContact O-N 3.28Å; R203-N205 VanDerWaalsContact C-N 3.3Å; R203-F387 HydrophobicContact CB-CE1 4.45Å; R203-F387 HydrophobicContact CB-CZ 4.22Å; R203-F387 HydrophobicContact CG-CE1 3.93Å; R203-F387 HydrophobicContact CG-CZ 4.12Å; R203-V393 HydrophobicContact CB-CG1 3.78Å; R203-T394 PolarHBondContact NH1-O 3.02Å; R203-E396 WeakPolarHBondContact CG-OE1 3.35Å; R203-E396 IonicContact CZ-OE1 3.86Å; R203-E396 IonicContact CZ-OE2 2.85Å; R203-E396 IonicContact NE-OE1 2.73Å; R203-E396 PolarHBondContact NE-OE1 3.38Å; R203-E396 IonicContact NE-OE2 3.25Å; R203-E396 PolarHBondContact NE-OE2 2.72Å; R203-E396 VanDerWaalsContact NH2-CD 3.25Å; R203-E396 IonicContact NH2-OE1 3.42Å; R203-E396 IonicContact NH2-OE2 2.82Å; R203-E396 PolarHBondContact NH2-OE2 2.8Å; R203-L450 HydrophobicContact CG-CD1 4.39Å
204	Y	98.5	Very high	96.1	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	12.4	-177.6	-57.2	-43.8	0	0	0	113.6	L200 T202 L206 E396 A449 L450 V475 M479 P546 Y548	L200-Y204 HydrophobicContact CB-CD2 4.47Å; L200-Y204 HydrophobicContact CD2-CD2 4.3Å; L200-Y204 HydrophobicContact CD2-CE2 3.7Å; L200-Y204 WeakPolarHBondContact O-CB 3.43Å; L200-Y204 WeakPolarHBondContact O-CD2 3.44Å; L200-Y204 PolarHBondContact O-N 2.7Å; T202-Y204 PolarHBondContact O-N 3.34Å; Y204-L206 VanDerWaalsContact C-N 3.33Å; Y204-L206 PolarHBondContact O-N 3.4Å; Y204-E396 VanDerWaalsContact CE1-OE1 3.25Å; Y204-E396 WeakPolarHBondContact CE1-OE1 3.35Å; Y204-E396 PolarHBondContact OH-OE1 2.76Å; Y204-A449 HydrophobicContact CE2-CB 4.24Å; Y204-A449 WeakPolarHBondContact OH-CA 3.32Å; Y204-L450 WeakPolarHBondContact OH-CG 3.24Å; Y204-L450 PolarHBondContact OH-N 2.88Å; Y204-V475 HydrophobicContact CD2-CG1 4.06Å; Y204-V475 HydrophobicContact CE2-CG1 3.63Å; Y204-M479 HydrophobicContact CD2-CE 3.64Å; Y204-M479 HydrophobicContact CD2-SD 4.23Å; Y204-M479 HydrophobicContact CE2-CE 4.22Å; Y204-M479 HydrophobicContact CG-CE 4.05Å; Y204-M479 HydrophobicContact CG-SD 4.15Å; Y204-P546 WeakPolarHBondContact CB-O 3.18Å; Y204-P546 HydrophobicContact CD1-CG 4.24Å; Y204-P546 WeakPolarHBondContact CD1-O 3.33Å; Y204-P546 HydrophobicContact CE1-CG 4.43Å; Y204-P546 HydrophobicContact CG-CG 4.34Å; Y204-Y548 WeakPolarHBondContact O-CB 3.48Å; Y204-Y548 PolarHBondContact O-N 2.69Å
205	N	98.3	Very high	96	Very high	81 Å²	81	44.7 Å²	44.7	43%	0.433	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	37.6	174.4	-58.3	-48.4	0	0	0	114.3	R201 T202 R203 N547 P549	R201-N205 CarbonylContact O-C 3.46Å; R201-N205 PolarHBondContact O-N 3.25Å; R201-N205 VanDerWaalsContact O-N 3.12Å; T202-N205 PolarHBondContact O-N 3.22Å; R203-N205 VanDerWaalsContact C-N 3.3Å; N205-N547 PolarHBondContact ND2-OD1 2.95Å; N205-P549 HydrophobicContact CB-CG 3.95Å
206	L	98.5	Very high	95.8	Very high	12 Å²	12	49.1 Å²	49.1	6%	0.063	29%	0.291	C	S	.	.			trans	-83.7	119	168.6	-69.9	154.7	0	0	0	109.4	R201 Y204 D210 T277 M479 L482 Y548	R201-L206 HydrophobicContact CB-CB 3.91Å; R201-L206 HydrophobicContact CB-CD1 4.5Å; R201-L206 HydrophobicContact CG-CB 4.04Å; R201-L206 HydrophobicContact CG-CD1 4.05Å; R201-L206 PolarHBondContact O-N 2.92Å; Y204-L206 VanDerWaalsContact C-N 3.33Å; Y204-L206 PolarHBondContact O-N 3.4Å; L206-D210 HydrophobicContact CB-CB 4.43Å; L206-D210 HydrophobicContact CD2-CB 3.74Å; L206-T277 HydrophobicContact CD1-CG2 4.27Å; L206-M479 HydrophobicContact CD1-CG 3.96Å; L206-M479 HydrophobicContact CD1-SD 4.14Å; L206-M479 HydrophobicContact CD2-CG 4.4Å; L206-L482 HydrophobicContact CD2-CD1 3.54Å; L206-Y548 HydrophobicContact CD2-CD1 3.64Å; L206-Y548 HydrophobicContact CD2-CD2 3.7Å; L206-Y548 HydrophobicContact CD2-CE1 4.01Å; L206-Y548 HydrophobicContact CD2-CE2 4.04Å; L206-Y548 HydrophobicContact CD2-CG 3.48Å; L206-Y548 VanDerWaalsContact CD2-CG 3.48Å; L206-Y548 HydrophobicContact CG-CD1 4.38Å; L206-Y548 HydrophobicContact CG-CG 4.09Å
207	T	98	Very high	95.8	Very high	72 Å²	72	48.1 Å²	48.1	44%	0.442	29%	0.285	S	S	.	.			trans	-77.8	169.7	174	68.8	0	0	0	0	111.5	R201 T209 D210	R201-T207 PolarHBondContact NH2-O 2.96Å; T207-T209 PolarHBondContact O-N 3.38Å; T207-T209 PolarHBondContact OG1-N 2.77Å; T207-T209 PolarHBondContact OG1-OG1 3.13Å; T207-D210 WeakPolarHBondContact CA-OD2 3.35Å; T207-D210 WeakPolarHBondContact CB-OD2 3.49Å; T207-D210 PolarHBondContact N-OD2 2.82Å; T207-D210 PolarHBondContact O-N 2.97Å; T207-D210 PolarHBondContact OG1-N 3.19Å; T207-D210 PolarHBondContact OG1-OD2 2.93Å
208	A	96.8	Very high	95.8	Very high	64 Å²	64	49 Å²	49	53%	0.529	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.6	174.8	0	0	0	0	0	113.3
209	T	96.4	Very high	95.9	Very high	115 Å²	115	47.2 Å²	47.2	71%	0.706	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.9	179	48.7	0	0	0	0	113.9	T207 V211	T207-T209 PolarHBondContact O-N 3.38Å; T207-T209 PolarHBondContact OG1-N 2.77Å; T207-T209 PolarHBondContact OG1-OG1 3.13Å; T209-V211 PolarHBondContact O-N 2.88Å
210	D	97.9	Very high	96	Very high	32 Å²	32	46.7 Å²	46.7	17%	0.171	27%	0.273	C	S	.	.			trans	-79.1	73.8	175.9	-64.2	-46.3	0	0	0	110	R201 L206 T207 L482 Y548	R201-D210 PolarHBondContact NH2-O 2.85Å; L206-D210 HydrophobicContact CB-CB 4.43Å; L206-D210 HydrophobicContact CD2-CB 3.74Å; T207-D210 WeakPolarHBondContact CA-OD2 3.35Å; T207-D210 WeakPolarHBondContact CB-OD2 3.49Å; T207-D210 PolarHBondContact N-OD2 2.82Å; T207-D210 PolarHBondContact O-N 2.97Å; T207-D210 PolarHBondContact OG1-N 3.19Å; T207-D210 PolarHBondContact OG1-OD2 2.93Å; D210-L482 HydrophobicContact CB-CD1 4.44Å; D210-Y548 HydrophobicContact CB-CD1 4.46Å; D210-Y548 HydrophobicContact CB-CE1 3.92Å; D210-Y548 VanDerWaalsContact CG-CE1 3.49Å; D210-Y548 WeakPolarHBondContact OD1-CE1 3.41Å
211	V	98.1	Very high	95.9	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.115	27%	0.273	C	S	.	.	S	Bend	trans	-135.6	154.8	-178.7	-58.7	0	0	0	0	109.7	T209 F245 Q246 A279 N280 L482	T209-V211 PolarHBondContact O-N 2.88Å; V211-F245 HydrophobicContact CG1-CB 4.32Å; V211-Q246 HydrophobicContact CG1-CB 4.37Å; V211-Q246 WeakPolarHBondContact CG1-O 3.47Å; V211-Q246 HydrophobicContact CG2-CB 4.31Å; V211-A279 HydrophobicContact CB-CB 4.47Å; V211-A279 HydrophobicContact CG1-CB 3.99Å; V211-N280 HydrophobicContact CB-CB 4.04Å; V211-L482 VanDerWaalsContact C-CD2 3.49Å
212	G	96.6	Very high	95.6	Very high	7 Å²	7	46.3 Å²	46.3	7%	0.072	27%	0.272	C	S	.	.			trans	-61.5	135.9	179.9	0	0	0	0	0	112.5	A279 N280	G212-A279 PolarHBondContact N-O 3.07Å; G212-N280 PolarHBondContact O-ND2 2.84Å
213	S	89.8	Confident	94.7	Very high	97 Å²	97	42.3 Å²	42.3	68%	0.678	25%	0.247	S	C	*	.			trans	-137.9	-10.4	175.7	51.5	0	0	0	0	113.7
214	A	88.8	Confident	93.8	Very high	22 Å²	22	40.8 Å²	40.8	18%	0.182	24%	0.241	C	C	.	.			trans	-86.3	120.2	179.9	0	0	0	0	0	111	N216 N217	A214-N216 VanDerWaalsContact C-N 3.3Å; A214-N216 PolarHBondContact O-N 3.12Å; A214-N217 HydrophobicContact CB-CB 3.91Å; A214-N217 WeakPolarHBondContact O-CB 3.38Å; A214-N217 PolarHBondContact O-N 3.16Å
215	E	85.6	Confident	92.3	Very high	199 Å²	199	42 Å²	42	93%	0.93	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-30	-177.3	-63.7	-174.8	167.6	0	0	113.4	N217	E215-N217 VanDerWaalsContact C-N 3.28Å; E215-N217 PolarHBondContact O-N 3.29Å
216	N	90.3	Very high	90.7	Very high	96 Å²	96	41.1 Å²	41.1	51%	0.513	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	12.1	179.1	68.4	-19.6	0	0	0	113.7	A214 W313	A214-N216 VanDerWaalsContact C-N 3.3Å; A214-N216 PolarHBondContact O-N 3.12Å; N216-W313 PolarHBondContact O-NE1 3.37Å
217	N	97.3	Very high	89.3	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	24%	0.241	C	C	.	.			trans	-106.2	135.8	178	-170	37	0	0	0	110.7	A214 E215 S481 G485 L488	A214-N217 HydrophobicContact CB-CB 3.91Å; A214-N217 WeakPolarHBondContact O-CB 3.38Å; A214-N217 PolarHBondContact O-N 3.16Å; E215-N217 VanDerWaalsContact C-N 3.28Å; E215-N217 PolarHBondContact O-N 3.29Å; N217-S481 PolarHBondContact ND2-O 3.47Å; N217-G485 PolarHBondContact ND2-N 2.83Å; N217-L488 HydrophobicContact CB-CD1 3.93Å
218	S	98.3	Very high	88.3	Confident	19 Å²	19	39.7 Å²	39.7	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	157	179	53.4	0	0	0	0	110.8	S282 P312 W313	S218-S282 CarbonylContact C-O 3.58Å; S218-S282 VanDerWaalsContact CA-O 3.23Å; S218-S282 WeakPolarHBondContact CA-O 3.44Å; S218-S282 WeakPolarHBondContact CB-O 3.46Å; S218-P312 WeakPolarHBondContact OG-CA 3.17Å; S218-W313 PolarHBondContact O-N 3.47Å
219	Q	98.8	Very high	87.6	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	162.6	-178.1	68.4	-171.1	12.5	0	0	110.8	I274 G278 I281 S282 T283 W284 P312 V314 S481	Q219-I274 HydrophobicContact CB-CD1 4Å; Q219-I274 HydrophobicContact CG-CD1 3.93Å; Q219-I274 HydrophobicContact CG-CG1 4.32Å; Q219-I274 PolarHBondContact NE2-O 3.14Å; Q219-G278 PolarHBondContact NE2-O 3.24Å; Q219-I281 HydrophobicContact CB-CG2 4.27Å; Q219-I281 HydrophobicContact CG-CB 4.4Å; Q219-I281 HydrophobicContact CG-CG2 3.95Å; Q219-S282 PolarHBondContact N-O 2.97Å; Q219-T283 HydrophobicContact CG-CG2 4.14Å; Q219-T283 WeakPolarHBondContact CG-OG1 3.37Å; Q219-T283 PolarHBondContact NE2-OG1 3.34Å; Q219-T283 CarbonylContact O-C 3.41Å; Q219-T283 WeakPolarHBondContact O-CA 3.12Å; Q219-W284 PolarHBondContact O-N 3.38Å; Q219-P312 VanDerWaalsContact C-CB 3.49Å; Q219-V314 CarbonylContact C-O 3.36Å; Q219-V314 WeakPolarHBondContact CA-O 3.39Å; Q219-S481 WeakPolarHBondContact CB-OG 3.2Å; Q219-S481 PolarHBondContact OE1-OG 3.03Å
220	A	98.1	Very high	87.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.8	-178.2	0	0	0	0	0	113.1	W284 F286 P312 V314 H315 T316	A220-W284 VanDerWaalsContact CA-O 3.24Å; A220-W284 WeakPolarHBondContact CA-O 3.42Å; A220-W284 HydrophobicContact CB-CB 4.2Å; A220-F286 HydrophobicContact CB-CD2 4.01Å; A220-F286 HydrophobicContact CB-CE2 3.75Å; A220-P312 HydrophobicContact CB-CB 3.83Å; A220-P312 HydrophobicContact CB-CG 3.93Å; A220-V314 PolarHBondContact N-O 2.97Å; A220-H315 CarbonylContact O-C 3.58Å; A220-H315 WeakPolarHBondContact O-CA 3.14Å; A220-T316 PolarHBondContact O-N 3.24Å; A220-T316 PolarHBondContact O-OG1 3.4Å
221	V	95.6	Very high	87	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.8	163.6	-60.5	0	0	0	0	109	D270 V271 I274 W284 V285 F286 T316	V221-D270 HydrophobicContact CB-CB 4.1Å; V221-D270 HydrophobicContact CG1-CB 4Å; V221-V271 HydrophobicContact CG2-CB 4.25Å; V221-I274 HydrophobicContact CG1-CB 4.1Å; V221-I274 HydrophobicContact CG1-CD1 4.03Å; V221-I274 HydrophobicContact CG1-CG2 3.62Å; V221-W284 PolarHBondContact N-O 3.21Å; V221-V285 HydrophobicContact CG2-CB 4.14Å; V221-V285 HydrophobicContact CG2-CG1 4.14Å; V221-V285 HydrophobicContact CG2-CG2 3.71Å; V221-F286 PolarHBondContact O-N 2.83Å; V221-T316 WeakPolarHBondContact CA-O 3.11Å; V221-T316 WeakPolarHBondContact CG1-OG1 3.22Å
222	A	90.8	Very high	86.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.9	169.5	0	0	0	0	0	109.5	F224 F286 W301 T316 I317	A222-F224 HydrophobicContact CB-CE2 4.4Å; A222-F224 HydrophobicContact CB-CZ 3.93Å; A222-F286 HydrophobicContact CB-CB 3.87Å; A222-W301 HydrophobicContact CB-CD2 4.15Å; A222-W301 HydrophobicContact CB-CG 4.36Å; A222-W301 HydrophobicContact CB-CZ2 4.3Å; A222-T316 PolarHBondContact N-O 3.45Å; A222-I317 HydrophobicContact CB-CG1 4.07Å
223	Q	78.5	Confident	86.7	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.019	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.9	-178.7	63.5	77.1	15.1	0	0	110	L225 Q227 A267 F286 T287	Q223-L225 PolarHBondContact OE1-O 3.41Å; Q223-Q227 PolarHBondContact NE2-O 2.85Å; Q223-A267 HydrophobicContact CG-CB 4.18Å; Q223-F286 PolarHBondContact N-O 2.86Å; Q223-T287 PolarHBondContact NE2-OG1 3.48Å
224	F	78.1	Confident	87	Confident	11 Å²	11	32 Å²	32	5%	0.048	17%	0.168	C	C	.	.			trans	-133.7	-0.6	-170	-52.5	-68.9	0	0	0	114.1	A222 P297 F298 W301 I317 Y319	A222-F224 HydrophobicContact CB-CE2 4.4Å; A222-F224 HydrophobicContact CB-CZ 3.93Å; F224-P297 HydrophobicContact CB-CB 4Å; F224-P297 HydrophobicContact CD1-CB 3.79Å; F224-P297 WeakPolarHBondContact CE1-O 3.24Å; F224-P297 HydrophobicContact CG-CB 4.31Å; F224-F298 HydrophobicContact CD2-CD2 4.15Å; F224-F298 AromaticContact CE2-CD2 3.56Å; F224-F298 HydrophobicContact CE2-CD2 3.56Å; F224-F298 HydrophobicContact CE2-CE2 4.26Å; F224-F298 AromaticContact CZ-CD2 3.81Å; F224-F298 HydrophobicContact CZ-CD2 3.81Å; F224-F298 HydrophobicContact CZ-CE2 4.48Å; F224-W301 HydrophobicContact CE1-CB 3.51Å; F224-W301 HydrophobicContact CE1-CD2 4.45Å; F224-W301 HydrophobicContact CE1-CG 4.04Å; F224-W301 HydrophobicContact CE2-CE3 4.4Å; F224-W301 HydrophobicContact CZ-CB 3.79Å; F224-W301 AromaticContact CZ-CD2 3.81Å; F224-W301 HydrophobicContact CZ-CD2 3.81Å; F224-W301 AromaticContact CZ-CE3 3.61Å; F224-W301 HydrophobicContact CZ-CE3 3.61Å; F224-W301 AromaticContact CZ-CG 3.87Å; F224-W301 HydrophobicContact CZ-CG 3.87Å; F224-W301 HydrophobicContact CZ-CZ3 4.45Å; F224-I317 HydrophobicContact CD2-CG2 4.45Å; F224-I317 HydrophobicContact CE2-CG2 3.61Å; F224-I317 HydrophobicContact CZ-CG2 4.48Å; F224-Y319 HydrophobicContact CB-CD2 3.88Å; F224-Y319 HydrophobicContact CB-CE2 4.29Å; F224-Y319 AromaticContact CD2-CD2 3.42Å; F224-Y319 HydrophobicContact CD2-CD2 3.42Å; F224-Y319 VanDerWaalsContact CD2-CD2 3.42Å; F224-Y319 HydrophobicContact CD2-CE2 4.34Å; F224-Y319 AromaticContact CD2-CG 3.82Å; F224-Y319 HydrophobicContact CD2-CG 3.82Å; F224-Y319 HydrophobicContact CE2-CD2 4.24Å; F224-Y319 HydrophobicContact CE2-CG 4.25Å; F224-Y319 AromaticContact CG-CD2 3.92Å; F224-Y319 HydrophobicContact CG-CD2 3.92Å; F224-Y319 HydrophobicContact CG-CE2 4.49Å
225	L	67.3	Low	87.5	Confident	26 Å²	26	32.8 Å²	32.8	14%	0.136	17%	0.174	C	C	.	.	S	Bend	trans	-70.7	142.6	164.6	-58	-180	0	0	0	105.8	P175 Q223 Q227 E266	P175-L225 HydrophobicContact CB-CD2 4.45Å; P175-L225 HydrophobicContact CG-CD2 4.03Å; Q223-L225 PolarHBondContact OE1-O 3.41Å; L225-Q227 HydrophobicContact CB-CB 4.38Å; L225-Q227 HydrophobicContact CB-CG 3.91Å; L225-Q227 PolarHBondContact O-N 2.97Å; L225-E266 HydrophobicContact CD1-CB 3.87Å; L225-E266 HydrophobicContact CD1-CG 3.87Å
226	E	66.1	Low	88	Confident	64 Å²	64	26 Å²	26	30%	0.299	14%	0.142	S	C	.	.	S	Bend	trans	-71.2	57.6	-178.2	-67.8	-172.3	-146.2	0	0	112.4	H145	H145-E226 IonicContact CE1-OE2 3.77Å; H145-E226 PolarHBondContact CE1-OE2 3.13Å; H145-E226 IonicContact CG-OE2 2.77Å; H145-E226 VanDerWaalsContact ND1-CD 3.29Å; H145-E226 IonicContact ND1-OE1 3.68Å; H145-E226 IonicContact ND1-OE2 3.32Å; H145-E226 PolarHBondContact ND1-OE2 3.02Å
227	Q	68.8	Low	88.4	Confident	14 Å²	14	21.4 Å²	21.4	7%	0.065	12%	0.118	C	C	.	.			trans	-119.6	141.2	-171.4	-71.6	-166.2	16.2	0	0	107.8	E177 Q223 L225 G264 L265 A267	E177-Q227 PolarHBondContact OE1-NE2 2.95Å; Q223-Q227 PolarHBondContact NE2-O 2.85Å; L225-Q227 HydrophobicContact CB-CB 4.38Å; L225-Q227 HydrophobicContact CB-CG 3.91Å; L225-Q227 PolarHBondContact O-N 2.97Å; Q227-G264 VanDerWaalsContact OE1-CA 3.23Å; Q227-L265 VanDerWaalsContact OE1-N 3.13Å; Q227-A267 HydrophobicContact CB-CB 3.85Å
228	Y	76.1	Confident	88.5	Confident	39 Å²	39	21.2 Å²	21.2	15%	0.153	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-106.7	133.7	-172	-58.3	-94.8	0	0	0	109.4	G259 K262 A263 G264 P289	Y228-G259 VanDerWaalsContact CD1-O 3.22Å; Y228-G259 WeakPolarHBondContact CD1-O 3.35Å; Y228-G259 VanDerWaalsContact CE1-N 3.29Å; Y228-G259 WeakPolarHBondContact CE1-O 3.34Å; Y228-K262 VanDerWaalsContact CD2-O 3.26Å; Y228-K262 WeakPolarHBondContact CD2-O 3.22Å; Y228-A263 WeakPolarHBondContact O-CA 3.49Å; Y228-G264 PolarHBondContact O-N 3.17Å; Y228-P289 HydrophobicContact CD1-CB 3.93Å; Y228-P289 HydrophobicContact CD1-CG 3.48Å; Y228-P289 VanDerWaalsContact CD1-CG 3.48Å; Y228-P289 HydrophobicContact CE1-CB 3.3Å; Y228-P289 HydrophobicContact CE1-CG 3.27Å; Y228-P289 HydrophobicContact CE2-CB 4.31Å; Y228-P289 HydrophobicContact CG-CG 4.41Å
229	Y	82.8	Confident	88.4	Confident	7 Å²	7	28.1 Å²	28.1	3%	0.027	15%	0.147	C	C	.	.			trans	-68.7	130.7	161.6	155.8	-112.5	0	0	0	108.3	P231 L234 V251 V254 Q258 V271 V285	Y229-P231 HydrophobicContact CE1-CB 4.46Å; Y229-P231 HydrophobicContact CE1-CG 3.79Å; Y229-P231 WeakPolarHBondContact OH-CA 3.4Å; Y229-L234 HydrophobicContact CE2-CB 3.84Å; Y229-L234 HydrophobicContact CE2-CD2 3.85Å; Y229-L234 HydrophobicContact CE2-CG 4.49Å; Y229-V251 HydrophobicContact CD1-CG2 4.23Å; Y229-V251 HydrophobicContact CE1-CB 4.41Å; Y229-V251 HydrophobicContact CE1-CG1 4.14Å; Y229-V251 HydrophobicContact CE1-CG2 3.38Å; Y229-V251 HydrophobicContact CE2-CG1 4.11Å; Y229-V254 HydrophobicContact CD1-CG2 3.96Å; Y229-V254 HydrophobicContact CE1-CG2 4.04Å; Y229-Q258 VanDerWaalsContact CD1-NE2 3.33Å; Y229-Q258 PolarHBondContact O-NE2 3.48Å; Y229-V271 HydrophobicContact CD2-CG1 3.81Å; Y229-V271 HydrophobicContact CD2-CG2 4.45Å; Y229-V271 HydrophobicContact CE2-CG1 4.17Å; Y229-V271 HydrophobicContact CE2-CG2 4.36Å; Y229-V285 HydrophobicContact CD1-CG2 4.3Å; Y229-V285 HydrophobicContact CG-CG1 4.46Å; Y229-V285 HydrophobicContact CG-CG2 4.25Å
230	H	88.8	Confident	88.3	Confident	71 Å²	71	32 Å²	32	33%	0.329	17%	0.166	S	C	.	.			trans	-118	115.8	178.5	-163.2	-92.3	0	0	0	110.3	A232 D233 L234 A263	H230-A232 PolarHBondContact O-N 3.35Å; H230-A232 VanDerWaalsContact O-N 3.14Å; H230-D233 HydrophobicContact CB-CB 4.28Å; H230-D233 IonicContact ND1-OD1 2.62Å; H230-D233 WeakPolarHBondContact O-CB 3.46Å; H230-D233 PolarHBondContact O-N 3Å; H230-L234 PolarHBondContact O-N 3.18Å; H230-A263 HydrophobicContact CB-CB 3.79Å
231	P	92	Very high	88.3	Confident	65 Å²	65	34 Å²	34	42%	0.422	18%	0.175	S	C	.	.	H	α-helix	trans	-57.2	-33.1	-176.1	-27.1	33.4	0	0	0	114.6	Y229 D233 A235	Y229-P231 HydrophobicContact CE1-CB 4.46Å; Y229-P231 HydrophobicContact CE1-CG 3.79Å; Y229-P231 WeakPolarHBondContact OH-CA 3.4Å; P231-D233 VanDerWaalsContact C-N 3.3Å; P231-D233 PolarHBondContact O-N 3.06Å; P231-A235 WeakPolarHBondContact O-CB 3.32Å; P231-A235 PolarHBondContact O-N 3.05Å; P231-A235 VanDerWaalsContact O-N 3.08Å
232	A	94.1	Very high	88.4	Confident	27 Å²	27	34 Å²	34	22%	0.223	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-29.6	178.5	0	0	0	0	0	112.7	H230 E236	H230-A232 PolarHBondContact O-N 3.35Å; H230-A232 VanDerWaalsContact O-N 3.14Å; A232-E236 WeakPolarHBondContact O-CB 3.22Å; A232-E236 PolarHBondContact O-N 2.73Å
233	D	95	Very high	88.6	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.011	21%	0.212	C	C	.	.	H	α-helix	trans	-72	-46.6	180	-66.4	-8	0	0	0	109.7	H230 P231 A235 E236 F237 A263 V457 N459 R460	H230-D233 HydrophobicContact CB-CB 4.28Å; H230-D233 IonicContact ND1-OD1 2.62Å; H230-D233 WeakPolarHBondContact O-CB 3.46Å; H230-D233 PolarHBondContact O-N 3Å; P231-D233 VanDerWaalsContact C-N 3.3Å; P231-D233 PolarHBondContact O-N 3.06Å; D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 3.05Å; D233-E236 PolarHBondContact O-N 2.67Å; D233-F237 WeakPolarHBondContact O-CB 3.47Å; D233-F237 PolarHBondContact O-N 2.97Å; D233-A263 WeakPolarHBondContact OD2-CB 3.36Å; D233-V457 HydrophobicContact CB-CB 4.44Å; D233-V457 HydrophobicContact CB-CG1 4.03Å; D233-N459 PolarHBondContact OD2-N 3.06Å; D233-R460 PolarHBondContact OD1-N 3.02Å
234	L	96.7	Very high	89.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-42.7	174.3	174.7	65.8	0	0	0	112.2	Y229 H230 E236 F237 M238 V251 V271 E272 M275	Y229-L234 HydrophobicContact CE2-CB 3.84Å; Y229-L234 HydrophobicContact CE2-CD2 3.85Å; Y229-L234 HydrophobicContact CE2-CG 4.49Å; H230-L234 PolarHBondContact O-N 3.18Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 PolarHBondContact O-N 2.92Å; L234-F237 PolarHBondContact O-N 3.18Å; L234-M238 HydrophobicContact CD1-CE 3.94Å; L234-M238 HydrophobicContact CD1-CG 4.09Å; L234-M238 WeakPolarHBondContact O-CB 3.45Å; L234-M238 WeakPolarHBondContact O-CG 3.27Å; L234-M238 PolarHBondContact O-N 3.4Å; L234-V251 HydrophobicContact CD2-CG1 3.92Å; L234-V271 HydrophobicContact CD2-CG2 4.32Å; L234-E272 HydrophobicContact CD1-CG 4.15Å; L234-M275 HydrophobicContact CD1-SD 4.03Å; L234-M275 HydrophobicContact CD2-CE 3.97Å; L234-M275 HydrophobicContact CD2-SD 3.57Å; L234-M275 VanDerWaalsContact CD2-SD 3.57Å; L234-M275 HydrophobicContact CG-SD 4.43Å
235	A	97.6	Very high	90.3	Very high	39 Å²	39	41.9 Å²	41.9	32%	0.322	24%	0.239	S	C	.	.	H	α-helix	trans	-62.4	-42.9	177.5	0	0	0	0	0	111.7	P231 D233 M238 Q239	P231-A235 WeakPolarHBondContact O-CB 3.32Å; P231-A235 PolarHBondContact O-N 3.05Å; P231-A235 VanDerWaalsContact O-N 3.08Å; D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 3.05Å; A235-M238 PolarHBondContact O-N 2.61Å; A235-Q239 WeakPolarHBondContact O-CB 3.43Å; A235-Q239 PolarHBondContact O-N 3.25Å
236	E	97.6	Very high	91.8	Very high	55 Å²	55	46.3 Å²	46.3	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-68.1	-40.8	176.8	-176.1	169.9	179.7	0	0	112	A232 D233 L234 M238 Q239 M240 V457 R460	A232-E236 WeakPolarHBondContact O-CB 3.22Å; A232-E236 PolarHBondContact O-N 2.73Å; D233-E236 PolarHBondContact O-N 2.67Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 PolarHBondContact O-N 2.92Å; E236-M238 PolarHBondContact O-N 2.61Å; E236-Q239 WeakPolarHBondContact O-CB 3.37Å; E236-Q239 PolarHBondContact O-N 3.49Å; E236-M240 HydrophobicContact CG-CE 4.04Å; E236-M240 WeakPolarHBondContact O-CG 3.12Å; E236-M240 PolarHBondContact O-N 3.01Å; E236-V457 HydrophobicContact CB-CG1 4.3Å; E236-V457 HydrophobicContact CG-CG1 4.32Å; E236-R460 WeakPolarHBondContact OE2-CA 3.37Å; E236-R460 WeakPolarHBondContact OE2-CB 3.21Å; E236-R460 WeakPolarHBondContact OE2-CG 3.33Å
237	F	98.3	Very high	93.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-49.5	173.1	178.4	-86.3	0	0	0	111.5	P197 D233 L234 Q239 M240 F241 E272 Y273 S276 W455 V457	P197-F237 HydrophobicContact CG-CE1 3.6Å; P197-F237 HydrophobicContact CG-CZ 3.44Å; P197-F237 VanDerWaalsContact CG-CZ 3.44Å; D233-F237 WeakPolarHBondContact O-CB 3.47Å; D233-F237 PolarHBondContact O-N 2.97Å; L234-F237 PolarHBondContact O-N 3.18Å; F237-Q239 VanDerWaalsContact C-N 3.33Å; F237-Q239 PolarHBondContact O-N 3.37Å; F237-M240 PolarHBondContact O-N 3.32Å; F237-F241 HydrophobicContact CD1-CD2 4.48Å; F237-F241 AromaticContact CD2-CD2 3.6Å; F237-F241 HydrophobicContact CD2-CD2 3.6Å; F237-F241 AromaticContact CD2-CE2 3.98Å; F237-F241 HydrophobicContact CD2-CE2 3.98Å; F237-F241 HydrophobicContact CE1-CB 4.42Å; F237-F241 HydrophobicContact CE1-CD2 4.44Å; F237-F241 AromaticContact CE2-CD2 3.55Å; F237-F241 HydrophobicContact CE2-CD2 3.55Å; F237-F241 HydrophobicContact CE2-CE2 4Å; F237-F241 HydrophobicContact CG-CD2 4.08Å; F237-F241 HydrophobicContact CZ-CB 4.46Å; F237-F241 HydrophobicContact CZ-CD2 4Å; F237-F241 PolarHBondContact O-N 3.03Å; F237-E272 HydrophobicContact CB-CG 3.93Å; F237-E272 WeakPolarHBondContact CB-OE1 3.34Å; F237-E272 HydrophobicContact CD1-CB 3.82Å; F237-E272 HydrophobicContact CD1-CG 3.89Å; F237-E272 HydrophobicContact CD2-CB 3.95Å; F237-E272 HydrophobicContact CD2-CG 3.8Å; F237-E272 VanDerWaalsContact CD2-OE2 3.22Å; F237-E272 WeakPolarHBondContact CD2-OE2 3.25Å; F237-E272 HydrophobicContact CE1-CB 3.78Å; F237-E272 HydrophobicContact CE1-CG 4.36Å; F237-E272 HydrophobicContact CE2-CB 3.9Å; F237-E272 HydrophobicContact CE2-CG 4.27Å; F237-E272 HydrophobicContact CG-CB 3.91Å; F237-E272 VanDerWaalsContact CG-CD 3.49Å; F237-E272 HydrophobicContact CG-CG 3.59Å; F237-E272 HydrophobicContact CZ-CB 3.81Å; F237-Y273 AromaticContact CE2-CE2 3.99Å; F237-Y273 HydrophobicContact CE2-CE2 3.99Å; F237-Y273 HydrophobicContact CZ-CD2 4.36Å; F237-Y273 AromaticContact CZ-CE2 3.96Å; F237-Y273 HydrophobicContact CZ-CE2 3.96Å; F237-S276 WeakPolarHBondContact CE1-OG 3.43Å; F237-W455 WeakPolarHBondContact CE2-O 3.19Å; F237-V457 HydrophobicContact CB-CB 4.03Å; F237-V457 HydrophobicContact CB-CG2 3.73Å; F237-V457 HydrophobicContact CD2-CG2 4.04Å; F237-V457 HydrophobicContact CG-CG2 4.39Å
238	M	98.3	Very high	94.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-35.6	179.3	-73.5	-62.9	175.7	0	0	112.1	L234 A235 E236 M240 G242 H247 M275	L234-M238 HydrophobicContact CD1-CE 3.94Å; L234-M238 HydrophobicContact CD1-CG 4.09Å; L234-M238 WeakPolarHBondContact O-CB 3.45Å; L234-M238 WeakPolarHBondContact O-CG 3.27Å; L234-M238 PolarHBondContact O-N 3.4Å; A235-M238 PolarHBondContact O-N 2.61Å; E236-M238 PolarHBondContact O-N 2.61Å; M238-M240 VanDerWaalsContact C-N 3.33Å; M238-M240 PolarHBondContact O-N 3.27Å; M238-G242 VanDerWaalsContact O-CA 3.22Å; M238-G242 WeakPolarHBondContact O-CA 3.46Å; M238-G242 PolarHBondContact O-N 2.76Å; M238-H247 HydrophobicContact SD-CB 4.02Å; M238-M275 HydrophobicContact CE-CB 3.44Å; M238-M275 VanDerWaalsContact CE-CB 3.44Å
239	Q	97.8	Very high	95.6	Very high	164 Å²	164	49.8 Å²	49.8	77%	0.766	28%	0.28	S	S	*	.	H	α-helix	trans	-61.5	-41.2	171.8	-176	-179.6	7.8	0	0	112.1	A235 E236 F237	A235-Q239 WeakPolarHBondContact O-CB 3.43Å; A235-Q239 PolarHBondContact O-N 3.25Å; E236-Q239 WeakPolarHBondContact O-CB 3.37Å; E236-Q239 PolarHBondContact O-N 3.49Å; F237-Q239 VanDerWaalsContact C-N 3.33Å; F237-Q239 PolarHBondContact O-N 3.37Å
240	M	96.8	Very high	96.3	Very high	80 Å²	80	55.3 Å²	55.3	39%	0.394	31%	0.306	S	S	.	.	H	α-helix	trans	-76.9	-40.8	-179	-72.4	-169.8	-66.2	0	0	113.4	E236 F237 M238 V457 P462	E236-M240 HydrophobicContact CG-CE 4.04Å; E236-M240 WeakPolarHBondContact O-CG 3.12Å; E236-M240 PolarHBondContact O-N 3.01Å; F237-M240 PolarHBondContact O-N 3.32Å; M238-M240 VanDerWaalsContact C-N 3.33Å; M238-M240 PolarHBondContact O-N 3.27Å; M240-V457 HydrophobicContact CE-CB 4.46Å; M240-V457 HydrophobicContact CE-CG2 3.05Å; M240-P462 HydrophobicContact CE-CB 4.11Å; M240-P462 HydrophobicContact SD-CB 4.48Å
241	F	97.6	Very high	96.6	Very high	44 Å²	44	52.8 Å²	52.8	19%	0.193	30%	0.295	C	S	.	.	H	α-helix	trans	-118.8	-12	-166.3	-59.5	-60.5	0	0	0	115.1	T196 P197 F237 W455	T196-F241 HydrophobicContact CG2-CD1 3.96Å; T196-F241 HydrophobicContact CG2-CE1 3.76Å; T196-F241 HydrophobicContact CG2-CZ 4.47Å; P197-F241 HydrophobicContact CB-CB 4.37Å; P197-F241 HydrophobicContact CG-CB 3.7Å; F237-F241 HydrophobicContact CD1-CD2 4.48Å; F237-F241 AromaticContact CD2-CD2 3.6Å; F237-F241 HydrophobicContact CD2-CD2 3.6Å; F237-F241 AromaticContact CD2-CE2 3.98Å; F237-F241 HydrophobicContact CD2-CE2 3.98Å; F237-F241 HydrophobicContact CE1-CB 4.42Å; F237-F241 HydrophobicContact CE1-CD2 4.44Å; F237-F241 AromaticContact CE2-CD2 3.55Å; F237-F241 HydrophobicContact CE2-CD2 3.55Å; F237-F241 HydrophobicContact CE2-CE2 4Å; F237-F241 HydrophobicContact CG-CD2 4.08Å; F237-F241 HydrophobicContact CZ-CB 4.46Å; F237-F241 HydrophobicContact CZ-CD2 4Å; F237-F241 PolarHBondContact O-N 3.03Å; F241-W455 HydrophobicContact CE2-CB 4.13Å; F241-W455 HydrophobicContact CZ-CB 3.87Å; F241-W455 HydrophobicContact CZ-CD2 4.39Å; F241-W455 HydrophobicContact CZ-CG 4.16Å
242	G	96.6	Very high	96.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.293	C	S	.	.			trans	-88.4	-3	-175.3	0	0	0	0	0	115.4	M238 T244 F245 H247	M238-G242 VanDerWaalsContact O-CA 3.22Å; M238-G242 WeakPolarHBondContact O-CA 3.46Å; M238-G242 PolarHBondContact O-N 2.76Å; G242-T244 PolarHBondContact O-N 3.02Å; G242-F245 PolarHBondContact O-N 3.05Å; G242-H247 PolarHBondContact O-CE1 3.06Å; G242-H247 PolarHBondContact O-ND1 2.91Å
243	G	96.3	Very high	96.8	Very high	76 Å²	76	57.2 Å²	57.2	78%	0.784	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.3	-169	0	0	0	0	0	117
244	T	95.1	Very high	96.6	Very high	92 Å²	92	59.6 Å²	59.6	56%	0.564	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	0.1	-177.2	58.4	0	0	0	0	114.4	G242	G242-T244 PolarHBondContact O-N 3.02Å
245	F	97.6	Very high	96.3	Very high	13 Å²	13	60.2 Å²	60.2	6%	0.057	32%	0.321	C	S	.	.	S	Bend	trans	-150	153.9	178.7	55.8	-86.5	0	0	0	110.7	P197 V211 G242 H247 A279	P197-F245 HydrophobicContact CB-CE1 3.86Å; P197-F245 HydrophobicContact CB-CZ 3.94Å; V211-F245 HydrophobicContact CG1-CB 4.32Å; G242-F245 PolarHBondContact O-N 3.05Å; F245-H247 HydrophobicContact CD2-CB 3.96Å; F245-H247 HydrophobicContact CE2-CB 3.75Å; F245-H247 PolarHBondContact O-N 3.44Å; F245-H247 PolarHBondContact O-ND1 3.46Å; F245-A279 HydrophobicContact CD2-CB 3.56Å; F245-A279 HydrophobicContact CE2-CB 3.78Å
246	Q	97.9	Very high	95.5	Very high	118 Å²	118	60.5 Å²	60.5	55%	0.551	33%	0.328	S	S	*	.			trans	-66.1	130.5	172.6	-178	178.3	-3.4	0	0	109.7	V211 N280	V211-Q246 HydrophobicContact CG1-CB 4.37Å; V211-Q246 WeakPolarHBondContact CG1-O 3.47Å; V211-Q246 HydrophobicContact CG2-CB 4.31Å; Q246-N280 HydrophobicContact CG-CB 4.38Å; Q246-N280 PolarHBondContact NE2-ND2 2.89Å
247	H	97.6	Very high	94.1	Very high	62 Å²	62	61.1 Å²	61.1	29%	0.287	34%	0.336	S	S	.	.			trans	-145.1	166.5	-176.1	59.9	-92.1	0	0	0	111.6	M238 G242 F245	M238-H247 HydrophobicContact SD-CB 4.02Å; G242-H247 PolarHBondContact O-CE1 3.06Å; G242-H247 PolarHBondContact O-ND1 2.91Å; F245-H247 HydrophobicContact CD2-CB 3.96Å; F245-H247 HydrophobicContact CE2-CB 3.75Å; F245-H247 PolarHBondContact O-N 3.44Å; F245-H247 PolarHBondContact O-ND1 3.46Å
248	R	97.3	Very high	92.4	Very high	71 Å²	71	64.9 Å²	64.9	27%	0.268	35%	0.353	S	S	.	.			trans	-103.7	145.2	168.6	-60.4	176.9	72	134.9	7.9	108	D252 M275	R248-D252 IonicContact CZ-OD1 3.42Å; R248-D252 VanDerWaalsContact CZ-OD1 3.24Å; R248-D252 IonicContact CZ-OD2 3.97Å; R248-D252 IonicContact NE-OD2 2.62Å; R248-D252 IonicContact NH1-OD1 3.32Å; R248-D252 PolarHBondContact NH1-OD1 2.84Å; R248-D252 IonicContact NH1-OD2 3.6Å; R248-D252 PolarHBondContact NH1-OD2 3.05Å; R248-D252 IonicContact NH2-OD1 3.95Å; R248-D252 PolarHBondContact NH2-OD1 2.83Å; R248-D252 IonicContact NH2-OD2 2.76Å; R248-D252 PolarHBondContact NH2-OD2 2.78Å; R248-M275 HydrophobicContact CB-CE 3.79Å; R248-M275 WeakPolarHBondContact O-CE 3.21Å
249	S	96.6	Very high	90.5	Very high	58 Å²	58	66.4 Å²	66.4	41%	0.406	37%	0.369	S	S	.	.	S	Bend	trans	-104.2	4.4	177.4	55.9	0	0	0	0	113
250	E	96.4	Very high	88.5	Confident	123 Å²	123	63.1 Å²	63.1	58%	0.575	38%	0.38	S	S	*	.	S	Bend	trans	-144	149.8	-179.4	63.6	-177.3	-171.4	0	0	110.5	M275	E250-M275 WeakPolarHBondContact O-CE 3.49Å
251	V	95.6	Very high	86.9	Confident	18 Å²	18	60.8 Å²	60.8	11%	0.109	38%	0.376	C	S	.	.			trans	-82.2	146.3	172.3	-55.4	0	0	0	0	109.7	Y229 L234 V254 V271 M275 T283 V285	Y229-V251 HydrophobicContact CD1-CG2 4.23Å; Y229-V251 HydrophobicContact CE1-CB 4.41Å; Y229-V251 HydrophobicContact CE1-CG1 4.14Å; Y229-V251 HydrophobicContact CE1-CG2 3.38Å; Y229-V251 HydrophobicContact CE2-CG1 4.11Å; L234-V251 HydrophobicContact CD2-CG1 3.92Å; V251-V254 HydrophobicContact CG2-CG2 3.73Å; V251-V271 HydrophobicContact CG1-CG2 3.62Å; V251-M275 HydrophobicContact CG1-SD 3.93Å; V251-T283 WeakPolarHBondContact CB-O 3.26Å; V251-V285 HydrophobicContact CB-CG2 4.3Å; V251-V285 HydrophobicContact CG1-CG2 3.75Å; V251-V285 HydrophobicContact CG2-CG2 4.36Å
252	D	95.8	Very high	85.3	Confident	71 Å²	71	67.1 Å²	67.1	38%	0.38	40%	0.404	S	S	.	.	S	Bend	trans	-76.6	-27.7	179.8	-69.6	-89.9	0	0	0	112.9	R248 S282 T283	R248-D252 IonicContact CZ-OD1 3.42Å; R248-D252 VanDerWaalsContact CZ-OD1 3.24Å; R248-D252 IonicContact CZ-OD2 3.97Å; R248-D252 IonicContact NE-OD2 2.62Å; R248-D252 IonicContact NH1-OD1 3.32Å; R248-D252 PolarHBondContact NH1-OD1 2.84Å; R248-D252 IonicContact NH1-OD2 3.6Å; R248-D252 PolarHBondContact NH1-OD2 3.05Å; R248-D252 IonicContact NH2-OD1 3.95Å; R248-D252 PolarHBondContact NH2-OD1 2.83Å; R248-D252 IonicContact NH2-OD2 2.76Å; R248-D252 PolarHBondContact NH2-OD2 2.78Å; D252-S282 WeakPolarHBondContact CB-OG 3.28Å; D252-S282 WeakPolarHBondContact OD2-CA 3.46Å; D252-S282 VanDerWaalsContact OD2-CB 3.3Å; D252-S282 WeakPolarHBondContact OD2-CB 3.23Å; D252-S282 PolarHBondContact OD2-OG 2.7Å; D252-T283 PolarHBondContact N-O 3.09Å; D252-T283 PolarHBondContact OD2-N 3.37Å; D252-T283 VanDerWaalsContact OD2-N 3.11Å
253	R	94.4	Very high	84.1	Confident	113 Å²	113	67.5 Å²	67.5	43%	0.426	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	135.8	-176.8	-166.5	175.3	-178.8	173.2	0.7	111.7	V255 W284 V285	R253-V255 HydrophobicContact CG-CG2 3.95Å; R253-W284 HydrophobicContact CB-CB 4.41Å; R253-W284 HydrophobicContact CB-CD2 3.78Å; R253-W284 HydrophobicContact CB-CE3 4.48Å; R253-W284 HydrophobicContact CB-CG 3.72Å; R253-W284 HydrophobicContact CG-CD2 4.24Å; R253-W284 HydrophobicContact CG-CE3 4.48Å; R253-W284 CarbonylContact O-C 3.43Å; R253-W284 VanDerWaalsContact O-CA 3.24Å; R253-W284 WeakPolarHBondContact O-CA 3.46Å; R253-V285 PolarHBondContact O-N 3.14Å
254	V	91.6	Very high	83.1	Confident	52 Å²	52	64.2 Å²	64.2	32%	0.315	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.3	164.3	-176	0	0	0	0	107.9	Y229 V251 Q258 V285 T287	Y229-V254 HydrophobicContact CD1-CG2 3.96Å; Y229-V254 HydrophobicContact CE1-CG2 4.04Å; V251-V254 HydrophobicContact CG2-CG2 3.73Å; V254-Q258 HydrophobicContact CG1-CG 3.73Å; V254-V285 CarbonylContact C-O 3.49Å; V254-V285 WeakPolarHBondContact CA-O 3.43Å; V254-T287 HydrophobicContact CG1-CG2 3.47Å; V254-T287 VanDerWaalsContact CG1-CG2 3.47Å
255	V	89.6	Confident	82.5	Confident	15 Å²	15	61.2 Å²	61.2	9%	0.091	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.7	-178.7	-177.2	0	0	0	0	109.2	R253 W284 V285 F286 T287 L304 M308	R253-V255 HydrophobicContact CG-CG2 3.95Å; V255-W284 HydrophobicContact CG2-CE3 3.92Å; V255-W284 HydrophobicContact CG2-CZ3 4.41Å; V255-V285 PolarHBondContact N-O 2.78Å; V255-F286 HydrophobicContact CB-CD1 3.67Å; V255-F286 HydrophobicContact CB-CE1 3.83Å; V255-F286 HydrophobicContact CB-CG 4.22Å; V255-F286 HydrophobicContact CB-CZ 4.48Å; V255-F286 HydrophobicContact CG1-CD1 3.71Å; V255-F286 HydrophobicContact CG1-CE1 3.7Å; V255-F286 HydrophobicContact CG2-CD1 4.25Å; V255-F286 HydrophobicContact CG2-CE1 3.97Å; V255-F286 HydrophobicContact CG2-CZ 4.18Å; V255-T287 PolarHBondContact O-N 3.14Å; V255-L304 HydrophobicContact CG1-CD1 4.23Å; V255-M308 HydrophobicContact CG1-SD 4.47Å
256	G	81.2	Confident	81.8	Confident	45 Å²	45	62.1 Å²	62.1	46%	0.464	36%	0.358	S	S	.	.	S	Bend	trans	101.5	-168.4	-174.3	0	0	0	0	0	111.8	T287	G256-T287 CarbonylContact C-O 3.56Å; G256-T287 WeakPolarHBondContact CA-O 3.49Å
257	T	68.7	Low	81.2	Confident	67 Å²	67	56.7 Å²	56.7	41%	0.411	33%	0.333	S	S	.	.			trans	-93.3	123.5	-175.7	47	0	0	0	0	111.2	P289	T257-P289 WeakPolarHBondContact O-CD 3.44Å; T257-P289 WeakPolarHBondContact O-CG 3.34Å; T257-P289 PolarHBondContact OG1-O 2.98Å
258	Q	62.6	Low	80.8	Confident	79 Å²	79	53.9 Å²	53.9	37%	0.369	32%	0.32	S	S	.	.			trans	-93	110.5	161.1	-73.5	-162.7	-25.5	0	0	109.3	Y229 V254 T287	Y229-Q258 VanDerWaalsContact CD1-NE2 3.33Å; Y229-Q258 PolarHBondContact O-NE2 3.48Å; V254-Q258 HydrophobicContact CG1-CG 3.73Å; Q258-T287 HydrophobicContact CG-CG2 3.73Å
259	G	57.6	Low	80.7	Confident	33 Å²	33	50.6 Å²	50.6	34%	0.34	31%	0.308	S	S	.	.			trans	-67.7	161.1	160.8	0	0	0	0	0	111.3	Y228 G261	Y228-G259 VanDerWaalsContact CD1-O 3.22Å; Y228-G259 WeakPolarHBondContact CD1-O 3.35Å; Y228-G259 VanDerWaalsContact CE1-N 3.29Å; Y228-G259 WeakPolarHBondContact CE1-O 3.34Å; G259-G261 PolarHBondContact O-N 3.45Å
260	G	55.5	Low	80.5	Confident	96 Å²	96	47.9 Å²	47.9	99%	0.99	29%	0.289	S	S	*	.	S	Bend	trans	-74.9	32.8	173.9	0	0	0	0	0	114.2
261	G	62.9	Low	80.5	Confident	31 Å²	31	42 Å²	42	32%	0.32	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-77.5	170.5	-177.7	0	0	0	0	0	113.1	G259	G259-G261 PolarHBondContact O-N 3.45Å
262	K	63.8	Low	80.6	Confident	177 Å²	177	41.2 Å²	41.2	77%	0.77	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-66.9	147.8	176.7	-70.4	-175.2	178.7	-179	0	110.9	Y228	Y228-K262 VanDerWaalsContact CD2-O 3.26Å; Y228-K262 WeakPolarHBondContact CD2-O 3.22Å
263	A	71.2	Confident	80.7	Confident	7 Å²	7	37.9 Å²	37.9	6%	0.058	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-60.8	141	171.9	0	0	0	0	0	109.7	Y228 H230 D233 N459	Y228-A263 WeakPolarHBondContact O-CA 3.49Å; H230-A263 HydrophobicContact CB-CB 3.79Å; D233-A263 WeakPolarHBondContact OD2-CB 3.36Å; A263-N459 PolarHBondContact N-OD1 3.22Å; A263-N459 PolarHBondContact O-ND2 3.14Å
264	G	76.3	Confident	80.9	Confident	8 Å²	8	32.5 Å²	32.5	8%	0.082	22%	0.218	C	C	.	.			trans	-105	150.4	174.1	0	0	0	0	0	111.9	Q227 Y228 E266 A267 S268	Q227-G264 VanDerWaalsContact OE1-CA 3.23Å; Y228-G264 PolarHBondContact O-N 3.17Å; G264-E266 PolarHBondContact O-N 3.12Å; G264-A267 PolarHBondContact O-N 3.17Å; G264-S268 WeakPolarHBondContact O-CB 3.07Å; G264-S268 PolarHBondContact O-N 3.41Å; G264-S268 PolarHBondContact O-OG 2.8Å
265	L	82.2	Confident	81.2	Confident	29 Å²	29	30.2 Å²	30.2	15%	0.152	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-43.7	-175.3	-166.1	74.9	0	0	0	112	A180 Q227 S268 L269 V456 I463 V466	A180-L265 HydrophobicContact CB-CD2 3.64Å; Q227-L265 VanDerWaalsContact OE1-N 3.13Å; L265-S268 PolarHBondContact O-N 2.93Å; L265-L269 WeakPolarHBondContact O-CB 3.21Å; L265-L269 PolarHBondContact O-N 3.47Å; L265-V456 HydrophobicContact CD1-CG2 3.34Å; L265-V456 HydrophobicContact CG-CG2 4.22Å; L265-I463 HydrophobicContact CD1-CB 4.23Å; L265-I463 HydrophobicContact CD1-CD1 3.69Å; L265-I463 HydrophobicContact CD1-CG2 4Å; L265-V466 HydrophobicContact CD1-CG2 3.92Å; L265-V466 HydrophobicContact CD2-CG1 4.12Å; L265-V466 HydrophobicContact CD2-CG2 3.97Å; L265-V466 HydrophobicContact CG-CG1 4.31Å; L265-V466 HydrophobicContact CG-CG2 4.11Å
266	E	83.4	Confident	81.7	Confident	32 Å²	32	29.5 Å²	29.5	15%	0.15	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-48.6	179.4	-169.6	78.3	158.8	0	0	111.2	L225 G264 S268 L269 D270 S318 S470	L225-E266 HydrophobicContact CD1-CB 3.87Å; L225-E266 HydrophobicContact CD1-CG 3.87Å; G264-E266 PolarHBondContact O-N 3.12Å; E266-S268 PolarHBondContact O-N 2.74Å; E266-L269 WeakPolarHBondContact O-CB 3.37Å; E266-L269 PolarHBondContact O-N 2.81Å; E266-D270 PolarHBondContact O-N 3.19Å; E266-S318 WeakPolarHBondContact OE1-CB 3.43Å; E266-S470 WeakPolarHBondContact OE1-CB 3.31Å; E266-S470 PolarHBondContact OE1-OG 3.28Å
267	A	84.3	Confident	82.5	Confident	3 Å²	3	27.3 Å²	27.3	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-27.2	179.6	0	0	0	0	0	112.6	Q223 Q227 G264 V271	Q223-A267 HydrophobicContact CG-CB 4.18Å; Q227-A267 HydrophobicContact CB-CB 3.85Å; G264-A267 PolarHBondContact O-N 3.17Å; A267-V271 VanDerWaalsContact O-CG1 3.32Å; A267-V271 WeakPolarHBondContact O-CG1 3.42Å
268	S	90.8	Very high	83.9	Confident	4 Å²	4	24.1 Å²	24.1	3%	0.028	16%	0.158	C	C	.	.	H	α-helix	trans	-78.6	-48.9	174.2	-46.8	0	0	0	0	110.6	G264 L265 E266 D270 V271 E272 V457 S458	G264-S268 WeakPolarHBondContact O-CB 3.07Å; G264-S268 PolarHBondContact O-N 3.41Å; G264-S268 PolarHBondContact O-OG 2.8Å; L265-S268 PolarHBondContact O-N 2.93Å; E266-S268 PolarHBondContact O-N 2.74Å; S268-D270 PolarHBondContact O-N 2.84Å; S268-V271 WeakPolarHBondContact O-CG1 3.39Å; S268-V271 PolarHBondContact O-N 3.41Å; S268-E272 WeakPolarHBondContact O-CB 3.26Å; S268-E272 WeakPolarHBondContact O-CG 3.44Å; S268-E272 PolarHBondContact O-N 3.31Å; S268-V457 VanDerWaalsContact CB-O 3.23Å; S268-V457 WeakPolarHBondContact CB-O 3.32Å; S268-V457 PolarHBondContact OG-O 3.27Å; S268-S458 PolarHBondContact OG-OG 3.26Å
269	L	93.3	Very high	85.6	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-51.5	-51.9	178.4	177.9	68.6	0	0	0	112.2	L265 E266 V271 Y273 Y454 V456 V466 A471	L265-L269 WeakPolarHBondContact O-CB 3.21Å; L265-L269 PolarHBondContact O-N 3.47Å; E266-L269 WeakPolarHBondContact O-CB 3.37Å; E266-L269 PolarHBondContact O-N 2.81Å; L269-V271 PolarHBondContact O-N 3.2Å; L269-Y273 HydrophobicContact CD1-CD2 3.8Å; L269-Y273 HydrophobicContact CD1-CE2 4.01Å; L269-Y273 WeakPolarHBondContact O-CB 3.23Å; L269-Y273 WeakPolarHBondContact O-CD2 3.44Å; L269-Y273 PolarHBondContact O-N 3.28Å; L269-Y454 HydrophobicContact CD1-CD1 4.03Å; L269-Y454 HydrophobicContact CD1-CG 4.31Å; L269-V456 HydrophobicContact CB-CG1 3.93Å; L269-V456 HydrophobicContact CD1-CG1 3.56Å; L269-V456 HydrophobicContact CG-CG1 4.37Å; L269-V466 HydrophobicContact CD1-CG1 4.11Å; L269-V466 HydrophobicContact CD2-CG1 3.89Å; L269-V466 HydrophobicContact CG-CG1 4.47Å; L269-A471 HydrophobicContact CD1-CB 3.9Å; L269-A471 HydrophobicContact CD2-CB 3.96Å; L269-A471 HydrophobicContact CG-CB 4.28Å
270	D	93.1	Very high	87.6	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-50.5	-174.4	-68.9	-21.7	0	0	0	111.6	V221 E266 S268 I274 S318 P474	V221-D270 HydrophobicContact CB-CB 4.1Å; V221-D270 HydrophobicContact CG1-CB 4Å; E266-D270 PolarHBondContact O-N 3.19Å; S268-D270 PolarHBondContact O-N 2.84Å; D270-I274 WeakPolarHBondContact O-CB 3.46Å; D270-I274 PolarHBondContact O-N 2.81Å; D270-I274 VanDerWaalsContact O-N 3.14Å; D270-S318 PolarHBondContact OD1-OG 3.39Å; D270-P474 WeakPolarHBondContact O-CB 3.3Å
271	V	95.9	Very high	89.6	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-75.2	-39.7	-174.7	69.1	0	0	0	0	112.5	V221 Y229 L234 V251 A267 S268 L269 Y273 I274 M275 V285	V221-V271 HydrophobicContact CG2-CB 4.25Å; Y229-V271 HydrophobicContact CD2-CG1 3.81Å; Y229-V271 HydrophobicContact CD2-CG2 4.45Å; Y229-V271 HydrophobicContact CE2-CG1 4.17Å; Y229-V271 HydrophobicContact CE2-CG2 4.36Å; L234-V271 HydrophobicContact CD2-CG2 4.32Å; V251-V271 HydrophobicContact CG1-CG2 3.62Å; A267-V271 VanDerWaalsContact O-CG1 3.32Å; A267-V271 WeakPolarHBondContact O-CG1 3.42Å; S268-V271 WeakPolarHBondContact O-CG1 3.39Å; S268-V271 PolarHBondContact O-N 3.41Å; L269-V271 PolarHBondContact O-N 3.2Å; V271-Y273 VanDerWaalsContact C-N 3.3Å; V271-Y273 PolarHBondContact O-N 3Å; V271-I274 WeakPolarHBondContact O-CG2 3.43Å; V271-M275 HydrophobicContact CG2-CG 4.46Å; V271-M275 HydrophobicContact CG2-SD 3.77Å; V271-M275 WeakPolarHBondContact O-CB 3.48Å; V271-M275 VanDerWaalsContact O-CG 3.26Å; V271-M275 WeakPolarHBondContact O-CG 3.36Å; V271-M275 PolarHBondContact O-N 3.47Å; V271-V285 HydrophobicContact CB-CG2 4.4Å; V271-V285 HydrophobicContact CG2-CG2 3.87Å
272	E	97.9	Very high	91.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-40.6	-179.6	-74.7	175.1	163.4	0	0	111.1	L234 F237 S268 S276 V456 V457	L234-E272 HydrophobicContact CD1-CG 4.15Å; F237-E272 HydrophobicContact CB-CG 3.93Å; F237-E272 WeakPolarHBondContact CB-OE1 3.34Å; F237-E272 HydrophobicContact CD1-CB 3.82Å; F237-E272 HydrophobicContact CD1-CG 3.89Å; F237-E272 HydrophobicContact CD2-CB 3.95Å; F237-E272 HydrophobicContact CD2-CG 3.8Å; F237-E272 VanDerWaalsContact CD2-OE2 3.22Å; F237-E272 WeakPolarHBondContact CD2-OE2 3.25Å; F237-E272 HydrophobicContact CE1-CB 3.78Å; F237-E272 HydrophobicContact CE1-CG 4.36Å; F237-E272 HydrophobicContact CE2-CB 3.9Å; F237-E272 HydrophobicContact CE2-CG 4.27Å; F237-E272 HydrophobicContact CG-CB 3.91Å; F237-E272 VanDerWaalsContact CG-CD 3.49Å; F237-E272 HydrophobicContact CG-CG 3.59Å; F237-E272 HydrophobicContact CZ-CB 3.81Å; S268-E272 WeakPolarHBondContact O-CB 3.26Å; S268-E272 WeakPolarHBondContact O-CG 3.44Å; S268-E272 PolarHBondContact O-N 3.31Å; E272-S276 WeakPolarHBondContact O-CB 3.26Å; E272-S276 PolarHBondContact O-N 2.87Å; E272-S276 PolarHBondContact O-OG 3.17Å; E272-V456 WeakPolarHBondContact OE2-CA 3.48Å; E272-V456 VanDerWaalsContact OE2-CB 3.25Å; E272-V456 WeakPolarHBondContact OE2-CB 3.44Å; E272-V457 WeakPolarHBondContact OE1-CA 3.2Å; E272-V457 WeakPolarHBondContact OE1-CB 3.43Å; E272-V457 PolarHBondContact OE1-N 2.92Å; E272-V457 PolarHBondContact OE2-N 3.22Å
273	Y	98.4	Very high	92.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-87.7	-33.6	-174.8	-80.3	-86.2	0	0	0	114.2	V195 L200 F237 L269 V271 M275 S276 T277 Y454 W455 V456 V475	V195-Y273 PolarHBondContact O-OH 2.85Å; L200-Y273 HydrophobicContact CD1-CD1 3.27Å; L200-Y273 HydrophobicContact CD1-CE1 3.38Å; F237-Y273 AromaticContact CE2-CE2 3.99Å; F237-Y273 HydrophobicContact CE2-CE2 3.99Å; F237-Y273 HydrophobicContact CZ-CD2 4.36Å; F237-Y273 AromaticContact CZ-CE2 3.96Å; F237-Y273 HydrophobicContact CZ-CE2 3.96Å; L269-Y273 HydrophobicContact CD1-CD2 3.8Å; L269-Y273 HydrophobicContact CD1-CE2 4.01Å; L269-Y273 WeakPolarHBondContact O-CB 3.23Å; L269-Y273 WeakPolarHBondContact O-CD2 3.44Å; L269-Y273 PolarHBondContact O-N 3.28Å; V271-Y273 VanDerWaalsContact C-N 3.3Å; V271-Y273 PolarHBondContact O-N 3Å; Y273-M275 PolarHBondContact O-N 3.21Å; Y273-S276 WeakPolarHBondContact O-CB 3.25Å; Y273-S276 PolarHBondContact O-N 2.86Å; Y273-S276 VanDerWaalsContact O-N 3.09Å; Y273-T277 PolarHBondContact O-N 3.08Å; Y273-T277 VanDerWaalsContact O-N 3.14Å; Y273-T277 PolarHBondContact O-OG1 3.43Å; Y273-Y454 AromaticContact CD1-CD1 3.7Å; Y273-Y454 HydrophobicContact CD1-CD1 3.7Å; Y273-Y454 AromaticContact CD1-CE1 3.54Å; Y273-Y454 HydrophobicContact CD1-CE1 3.54Å; Y273-Y454 AromaticContact CD2-CD1 3.89Å; Y273-Y454 HydrophobicContact CD2-CD1 3.89Å; Y273-Y454 HydrophobicContact CD2-CE1 4.41Å; Y273-Y454 AromaticContact CE1-CD1 3.3Å; Y273-Y454 HydrophobicContact CE1-CD1 3.3Å; Y273-Y454 AromaticContact CE1-CE1 3.46Å; Y273-Y454 HydrophobicContact CE1-CE1 3.46Å; Y273-Y454 VanDerWaalsContact CE1-CE1 3.46Å; Y273-Y454 HydrophobicContact CE1-CG 4.44Å; Y273-Y454 AromaticContact CE2-CD1 3.53Å; Y273-Y454 HydrophobicContact CE2-CD1 3.53Å; Y273-Y454 HydrophobicContact CE2-CE1 4.36Å; Y273-Y454 HydrophobicContact CE2-CG 4.41Å; Y273-Y454 AromaticContact CG-CD1 3.94Å; Y273-Y454 HydrophobicContact CG-CD1 3.94Å; Y273-Y454 AromaticContact CG-CE1 3.99Å; Y273-Y454 HydrophobicContact CG-CE1 3.99Å; Y273-Y454 AromaticContact CZ-CD1 3.19Å; Y273-Y454 AromaticContact CZ-CE1 3.88Å; Y273-Y454 WeakPolarHBondContact OH-CD1 3.45Å; Y273-W455 WeakPolarHBondContact CE2-O 3.25Å; Y273-W455 PolarHBondContact OH-N 3.36Å; Y273-W455 PolarHBondContact OH-O 3.04Å; Y273-V456 HydrophobicContact CE2-CG1 4.13Å; Y273-V475 HydrophobicContact CD1-CG2 4.28Å
274	I	98.7	Very high	94.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.6	-37.4	171.5	-158.3	179.4	0	0	0	110.4	Q219 V221 D270 V271 S276 G278 T283 T316 P474	Q219-I274 HydrophobicContact CB-CD1 4Å; Q219-I274 HydrophobicContact CG-CD1 3.93Å; Q219-I274 HydrophobicContact CG-CG1 4.32Å; Q219-I274 PolarHBondContact NE2-O 3.14Å; V221-I274 HydrophobicContact CG1-CB 4.1Å; V221-I274 HydrophobicContact CG1-CD1 4.03Å; V221-I274 HydrophobicContact CG1-CG2 3.62Å; D270-I274 WeakPolarHBondContact O-CB 3.46Å; D270-I274 PolarHBondContact O-N 2.81Å; D270-I274 VanDerWaalsContact O-N 3.14Å; V271-I274 WeakPolarHBondContact O-CG2 3.43Å; I274-S276 PolarHBondContact O-N 3.36Å; I274-G278 CarbonylContact O-C 3.59Å; I274-G278 WeakPolarHBondContact O-CA 3.4Å; I274-G278 PolarHBondContact O-N 3.41Å; I274-T283 HydrophobicContact CG2-CG2 4.05Å; I274-T316 HydrophobicContact CD1-CG2 3.95Å; I274-P474 HydrophobicContact CB-CB 3.8Å; I274-P474 HydrophobicContact CG1-CB 4.46Å
275	M	98.7	Very high	95	Very high	4 Å²	4	8.8 Å²	8.8	2%	0.02	5%	0.046	C	C	.	.	H	α-helix	trans	-78.4	-5.7	178.6	-66.2	-177.2	66.5	0	0	113.1	L234 M238 R248 E250 V251 V271 Y273 A279 T283	L234-M275 HydrophobicContact CD1-SD 4.03Å; L234-M275 HydrophobicContact CD2-CE 3.97Å; L234-M275 HydrophobicContact CD2-SD 3.57Å; L234-M275 VanDerWaalsContact CD2-SD 3.57Å; L234-M275 HydrophobicContact CG-SD 4.43Å; M238-M275 HydrophobicContact CE-CB 3.44Å; M238-M275 VanDerWaalsContact CE-CB 3.44Å; R248-M275 HydrophobicContact CB-CE 3.79Å; R248-M275 WeakPolarHBondContact O-CE 3.21Å; E250-M275 WeakPolarHBondContact O-CE 3.49Å; V251-M275 HydrophobicContact CG1-SD 3.93Å; V271-M275 HydrophobicContact CG2-CG 4.46Å; V271-M275 HydrophobicContact CG2-SD 3.77Å; V271-M275 WeakPolarHBondContact O-CB 3.48Å; V271-M275 VanDerWaalsContact O-CG 3.26Å; V271-M275 WeakPolarHBondContact O-CG 3.36Å; V271-M275 PolarHBondContact O-N 3.47Å; Y273-M275 PolarHBondContact O-N 3.21Å; M275-A279 VanDerWaalsContact O-CA 3.28Å; M275-A279 WeakPolarHBondContact O-CA 3.37Å; M275-T283 HydrophobicContact CG-CG2 3.79Å; M275-T283 HydrophobicContact SD-CG2 3.97Å
276	S	98.6	Very high	95.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-95.5	-43.3	177	-69	0	0	0	0	112.7	P197 R201 F237 E272 Y273 I274	P197-S276 VanDerWaalsContact CG-OG 3.29Å; P197-S276 WeakPolarHBondContact CG-OG 3.42Å; R201-S276 PolarHBondContact NH1-O 2.96Å; F237-S276 WeakPolarHBondContact CE1-OG 3.43Å; E272-S276 WeakPolarHBondContact O-CB 3.26Å; E272-S276 PolarHBondContact O-N 2.87Å; E272-S276 PolarHBondContact O-OG 3.17Å; Y273-S276 WeakPolarHBondContact O-CB 3.25Å; Y273-S276 PolarHBondContact O-N 2.86Å; Y273-S276 VanDerWaalsContact O-N 3.09Å; I274-S276 PolarHBondContact O-N 3.36Å
277	T	98.5	Very high	95.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-88.1	-36	174.8	60.2	0	0	0	0	111.8	L200 L206 Y273 A279 V475 L482	L200-T277 HydrophobicContact CB-CG2 4.28Å; L200-T277 HydrophobicContact CD1-CG2 4.36Å; L206-T277 HydrophobicContact CD1-CG2 4.27Å; Y273-T277 PolarHBondContact O-N 3.08Å; Y273-T277 VanDerWaalsContact O-N 3.14Å; Y273-T277 PolarHBondContact O-OG1 3.43Å; T277-A279 VanDerWaalsContact C-N 3.27Å; T277-A279 PolarHBondContact O-N 3.06Å; T277-V475 HydrophobicContact CG2-CB 4.41Å; T277-V475 HydrophobicContact CG2-CG1 4.09Å; T277-V475 HydrophobicContact CG2-CG2 4.28Å; T277-V475 WeakPolarHBondContact OG1-CA 3.5Å; T277-V475 PolarHBondContact OG1-O 3.02Å; T277-L482 WeakPolarHBondContact O-CD1 3.21Å
278	G	98.5	Very high	94.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-91.6	52.4	166	0	0	0	0	0	111.4	Q219 I274 G478	Q219-G278 PolarHBondContact NE2-O 3.24Å; I274-G278 CarbonylContact O-C 3.59Å; I274-G278 WeakPolarHBondContact O-CA 3.4Å; I274-G278 PolarHBondContact O-N 3.41Å; G278-G478 VanDerWaalsContact CA-CA 3.47Å; G278-G478 VanDerWaalsContact CA-O 3.26Å; G278-G478 WeakPolarHBondContact CA-O 3.49Å; G278-G478 VanDerWaalsContact N-CA 3.34Å
279	A	98.5	Very high	93.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	144.7	-173.1	0	0	0	0	0	112.5	V211 G212 F245 M275 T277 I281	V211-A279 HydrophobicContact CB-CB 4.47Å; V211-A279 HydrophobicContact CG1-CB 3.99Å; G212-A279 PolarHBondContact N-O 3.07Å; F245-A279 HydrophobicContact CD2-CB 3.56Å; F245-A279 HydrophobicContact CE2-CB 3.78Å; M275-A279 VanDerWaalsContact O-CA 3.28Å; M275-A279 WeakPolarHBondContact O-CA 3.37Å; T277-A279 VanDerWaalsContact C-N 3.27Å; T277-A279 PolarHBondContact O-N 3.06Å; A279-I281 PolarHBondContact O-N 3.39Å
280	N	98.3	Very high	90.9	Very high	42 Å²	42	9.3 Å²	9.3	23%	0.225	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	26.9	178.6	-157	50.5	0	0	0	115.3	V211 G212 Q246	V211-N280 HydrophobicContact CB-CB 4.04Å; G212-N280 PolarHBondContact O-ND2 2.84Å; Q246-N280 HydrophobicContact CG-CB 4.38Å; Q246-N280 PolarHBondContact NE2-ND2 2.89Å
281	I	98.6	Very high	88.9	Confident	4 Å²	4	19.7 Å²	19.7	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	-104.5	143.4	174.1	-62.3	174.2	0	0	0	109.2	Q219 A279 T283 L482	Q219-I281 HydrophobicContact CB-CG2 4.27Å; Q219-I281 HydrophobicContact CG-CB 4.4Å; Q219-I281 HydrophobicContact CG-CG2 3.95Å; A279-I281 PolarHBondContact O-N 3.39Å; I281-T283 PolarHBondContact O-N 3.31Å; I281-T283 PolarHBondContact O-OG1 2.97Å; I281-L482 HydrophobicContact CD1-CD2 3.92Å; I281-L482 HydrophobicContact CD1-CG 4.18Å; I281-L482 HydrophobicContact CG1-CD2 4.47Å
282	S	98.2	Very high	87.3	Confident	28 Å²	28	23.3 Å²	23.3	20%	0.196	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	124.2	174.5	-176.5	0	0	0	0	110.6	S218 Q219 D252	S218-S282 CarbonylContact C-O 3.58Å; S218-S282 VanDerWaalsContact CA-O 3.23Å; S218-S282 WeakPolarHBondContact CA-O 3.44Å; S218-S282 WeakPolarHBondContact CB-O 3.46Å; Q219-S282 PolarHBondContact N-O 2.97Å; D252-S282 WeakPolarHBondContact CB-OG 3.28Å; D252-S282 WeakPolarHBondContact OD2-CA 3.46Å; D252-S282 VanDerWaalsContact OD2-CB 3.3Å; D252-S282 WeakPolarHBondContact OD2-CB 3.23Å; D252-S282 PolarHBondContact OD2-OG 2.7Å
283	T	98.4	Very high	86	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.6	-169.7	-58.8	0	0	0	0	111.4	Q219 V251 D252 I274 M275 I281	Q219-T283 HydrophobicContact CG-CG2 4.14Å; Q219-T283 WeakPolarHBondContact CG-OG1 3.37Å; Q219-T283 PolarHBondContact NE2-OG1 3.34Å; Q219-T283 CarbonylContact O-C 3.41Å; Q219-T283 WeakPolarHBondContact O-CA 3.12Å; V251-T283 WeakPolarHBondContact CB-O 3.26Å; D252-T283 PolarHBondContact N-O 3.09Å; D252-T283 PolarHBondContact OD2-N 3.37Å; D252-T283 VanDerWaalsContact OD2-N 3.11Å; I274-T283 HydrophobicContact CG2-CG2 4.05Å; M275-T283 HydrophobicContact CG-CG2 3.79Å; M275-T283 HydrophobicContact SD-CG2 3.97Å; I281-T283 PolarHBondContact O-N 3.31Å; I281-T283 PolarHBondContact O-OG1 2.97Å
284	W	96.8	Very high	84.6	Confident	31 Å²	31	24.7 Å²	24.7	12%	0.117	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.4	176.8	-66.2	19.6	0	0	0	111.1	Q219 A220 V221 R253 V255 F286 M308 P312	Q219-W284 PolarHBondContact O-N 3.38Å; A220-W284 VanDerWaalsContact CA-O 3.24Å; A220-W284 WeakPolarHBondContact CA-O 3.42Å; A220-W284 HydrophobicContact CB-CB 4.2Å; V221-W284 PolarHBondContact N-O 3.21Å; R253-W284 HydrophobicContact CB-CB 4.41Å; R253-W284 HydrophobicContact CB-CD2 3.78Å; R253-W284 HydrophobicContact CB-CE3 4.48Å; R253-W284 HydrophobicContact CB-CG 3.72Å; R253-W284 HydrophobicContact CG-CD2 4.24Å; R253-W284 HydrophobicContact CG-CE3 4.48Å; R253-W284 CarbonylContact O-C 3.43Å; R253-W284 VanDerWaalsContact O-CA 3.24Å; R253-W284 WeakPolarHBondContact O-CA 3.46Å; V255-W284 HydrophobicContact CG2-CE3 3.92Å; V255-W284 HydrophobicContact CG2-CZ3 4.41Å; W284-F286 HydrophobicContact CB-CE2 4.3Å; W284-F286 HydrophobicContact CE3-CE2 4.2Å; W284-F286 HydrophobicContact CE3-CZ 4.01Å; W284-M308 HydrophobicContact CE3-CE 4.5Å; W284-M308 HydrophobicContact CH2-CE 4.33Å; W284-M308 HydrophobicContact CZ3-CE 3.58Å; W284-P312 HydrophobicContact CB-CG 4.04Å; W284-P312 HydrophobicContact CD2-CG 3.6Å; W284-P312 HydrophobicContact CE3-CG 3.82Å; W284-P312 HydrophobicContact CG-CG 3.69Å; W284-P312 HydrophobicContact CZ3-CG 4.42Å
285	V	94	Very high	83.4	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.9	172.6	176.2	0	0	0	0	108.7	V221 Y229 V251 R253 V254 V255 V271	V221-V285 HydrophobicContact CG2-CB 4.14Å; V221-V285 HydrophobicContact CG2-CG1 4.14Å; V221-V285 HydrophobicContact CG2-CG2 3.71Å; Y229-V285 HydrophobicContact CD1-CG2 4.3Å; Y229-V285 HydrophobicContact CG-CG1 4.46Å; Y229-V285 HydrophobicContact CG-CG2 4.25Å; V251-V285 HydrophobicContact CB-CG2 4.3Å; V251-V285 HydrophobicContact CG1-CG2 3.75Å; V251-V285 HydrophobicContact CG2-CG2 4.36Å; R253-V285 PolarHBondContact O-N 3.14Å; V254-V285 CarbonylContact C-O 3.49Å; V254-V285 WeakPolarHBondContact CA-O 3.43Å; V255-V285 PolarHBondContact N-O 2.78Å; V271-V285 HydrophobicContact CB-CG2 4.4Å; V271-V285 HydrophobicContact CG2-CG2 3.87Å
286	F	91.1	Very high	82.7	Confident	5 Å²	5	26.5 Å²	26.5	2%	0.022	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.2	168.6	-69.5	-99.3	0	0	0	108.8	A220 V221 A222 Q223 V255 W284 W301 M308 L311 H315	A220-F286 HydrophobicContact CB-CD2 4.01Å; A220-F286 HydrophobicContact CB-CE2 3.75Å; V221-F286 PolarHBondContact O-N 2.83Å; A222-F286 HydrophobicContact CB-CB 3.87Å; Q223-F286 PolarHBondContact N-O 2.86Å; V255-F286 HydrophobicContact CB-CD1 3.67Å; V255-F286 HydrophobicContact CB-CE1 3.83Å; V255-F286 HydrophobicContact CB-CG 4.22Å; V255-F286 HydrophobicContact CB-CZ 4.48Å; V255-F286 HydrophobicContact CG1-CD1 3.71Å; V255-F286 HydrophobicContact CG1-CE1 3.7Å; V255-F286 HydrophobicContact CG2-CD1 4.25Å; V255-F286 HydrophobicContact CG2-CE1 3.97Å; V255-F286 HydrophobicContact CG2-CZ 4.18Å; W284-F286 HydrophobicContact CB-CE2 4.3Å; W284-F286 HydrophobicContact CE3-CE2 4.2Å; W284-F286 HydrophobicContact CE3-CZ 4.01Å; F286-W301 AromaticContact CD1-CD1 3.6Å; F286-W301 AromaticContact CD1-NE1 3.96Å; F286-W301 AromaticContact CG-CD1 3.81Å; F286-W301 AromaticContact CG-NE1 3.91Å; F286-M308 HydrophobicContact CE1-SD 4.31Å; F286-L311 HydrophobicContact CZ-CD2 3.98Å; F286-H315 AromaticContact CE2-CE1 3.77Å; F286-H315 AromaticContact CE2-ND1 4Å
287	T	81.4	Confident	82	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.025	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	127	-174.5	-168.3	0	0	0	0	107.8	Q223 V254 V255 G256 Q258 P289	Q223-T287 PolarHBondContact NE2-OG1 3.48Å; V254-T287 HydrophobicContact CG1-CG2 3.47Å; V254-T287 VanDerWaalsContact CG1-CG2 3.47Å; V255-T287 PolarHBondContact O-N 3.14Å; G256-T287 CarbonylContact C-O 3.56Å; G256-T287 WeakPolarHBondContact CA-O 3.49Å; Q258-T287 HydrophobicContact CG-CG2 3.73Å; T287-P289 WeakPolarHBondContact OG1-CD 3.29Å; T287-P289 WeakPolarHBondContact OG1-CG 3.48Å
288	N	70.9	Confident	81.5	Confident	38 Å²	38	27.7 Å²	27.7	20%	0.203	14%	0.136	C	C	.	.			trans	-120.9	47.6	172.8	-160.4	45.6	0	0	0	113.7	Q295	N288-Q295 PolarHBondContact ND2-OE1 3.17Å
289	P	56.8	Low	81.1	Confident	4 Å²	4	27.8 Å²	27.8	3%	0.026	14%	0.136	C	C	.	.			trans	-78.8	136.3	176.8	33.5	-37.2	0	0	0	110.4	Y228 T257 T287	Y228-P289 HydrophobicContact CD1-CB 3.93Å; Y228-P289 HydrophobicContact CD1-CG 3.48Å; Y228-P289 VanDerWaalsContact CD1-CG 3.48Å; Y228-P289 HydrophobicContact CE1-CB 3.3Å; Y228-P289 HydrophobicContact CE1-CG 3.27Å; Y228-P289 HydrophobicContact CE2-CB 4.31Å; Y228-P289 HydrophobicContact CG-CG 4.41Å; T257-P289 WeakPolarHBondContact O-CD 3.44Å; T257-P289 WeakPolarHBondContact O-CG 3.34Å; T257-P289 PolarHBondContact OG1-O 2.98Å; T287-P289 WeakPolarHBondContact OG1-CD 3.29Å; T287-P289 WeakPolarHBondContact OG1-CG 3.48Å
290	G	48.5	Very low	80.7	Confident	29 Å²	29	28.8 Å²	28.8	30%	0.299	14%	0.14	S	C	.	.	S	Bend	trans	154	161.1	-175.1	0	0	0	0	0	111.2	H292	G290-H292 PolarHBondContact O-N 3.04Å
291	R	50.8	Low	80.4	Confident	220 Å²	220	27 Å²	27	83%	0.83	13%	0.131	S	C	*	.	S	Bend	trans	-71.9	75.4	177.1	-69.6	-170.2	-174.6	-157	1	110.8
292	H	62.3	Low	80.1	Confident	77 Å²	77	26.9 Å²	26.9	36%	0.356	13%	0.13	S	C	.	.			trans	-113.3	66.7	168	-64.4	-62.1	0	0	0	108.2	G290 T294 Q295	G290-H292 PolarHBondContact O-N 3.04Å; H292-T294 PolarHBondContact O-N 2.77Å; H292-Q295 HydrophobicContact CB-CB 3.93Å; H292-Q295 HydrophobicContact CB-CG 3.92Å; H292-Q295 PolarHBondContact O-N 2.8Å
293	E	70.7	Confident	79.8	Confident	20 Å²	20	25.6 Å²	25.6	9%	0.093	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.3	-167.7	-61.2	-154.8	-171.1	0	0	113.9	R139 S146 I147 V148 R149	R139-E293 IonicContact CZ-OE2 2.89Å; R139-E293 IonicContact NE-OE2 3.71Å; R139-E293 IonicContact NH1-OE1 3.54Å; R139-E293 PolarHBondContact NH1-OE1 3.08Å; R139-E293 IonicContact NH1-OE2 3Å; R139-E293 PolarHBondContact NH1-OE2 3.25Å; S146-E293 WeakPolarHBondContact CB-OE1 3.46Å; S146-E293 VanDerWaalsContact O-CG 3.31Å; S146-E293 WeakPolarHBondContact O-CG 3.46Å; S146-E293 VanDerWaalsContact OG-CD 3.24Å; S146-E293 PolarHBondContact OG-OE1 2.82Å; I147-E293 WeakPolarHBondContact CA-O 3.48Å; V148-E293 HydrophobicContact CB-CB 4.22Å; V148-E293 HydrophobicContact CG2-CB 3.99Å; V148-E293 PolarHBondContact N-O 3Å; R149-E293 PolarHBondContact NH1-O 3.35Å
294	T	68.6	Low	79.6	Confident	9 Å²	9	27.8 Å²	27.8	6%	0.055	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-11.3	179.5	44.5	0	0	0	0	114	L46 E47 V148 G169 H292	L46-T294 HydrophobicContact CB-CG2 3.9Å; L46-T294 HydrophobicContact CD2-CG2 3.5Å; L46-T294 VanDerWaalsContact CD2-CG2 3.5Å; L46-T294 HydrophobicContact CG-CG2 4.19Å; E47-T294 PolarHBondContact N-OG1 3.45Å; E47-T294 PolarHBondContact O-OG1 3.18Å; V148-T294 HydrophobicContact CB-CG2 3.78Å; V148-T294 HydrophobicContact CG1-CG2 3.88Å; G169-T294 WeakPolarHBondContact CA-O 3.38Å; H292-T294 PolarHBondContact O-N 2.77Å
295	Q	73.9	Confident	79.4	Confident	32 Å²	32	26.6 Å²	26.6	15%	0.15	13%	0.129	C	C	.	.			trans	-83.5	150.8	179.5	-68.2	-179.5	-3.2	0	0	111.6	E47 R149 N288 H292	E47-Q295 HydrophobicContact CB-CG 4.29Å; R149-Q295 PolarHBondContact NH2-O 2.86Å; N288-Q295 PolarHBondContact ND2-OE1 3.17Å; H292-Q295 HydrophobicContact CB-CB 3.93Å; H292-Q295 HydrophobicContact CB-CG 3.92Å; H292-Q295 PolarHBondContact O-N 2.8Å
296	E	83	Confident	79.4	Confident	11 Å²	11	26.8 Å²	26.8	5%	0.051	13%	0.13	C	C	.	.			trans	-100.8	109.3	168.6	-68.7	172.2	-150	0	0	107.3	G169 R172 F298 L299 Q300	G169-E296 PolarHBondContact N-OE1 3.29Å; R172-E296 HydrophobicContact CB-CG 4.43Å; R172-E296 IonicContact CZ-OE1 3.37Å; R172-E296 IonicContact CZ-OE2 3.55Å; R172-E296 VanDerWaalsContact NE-CD 3.31Å; R172-E296 IonicContact NE-OE1 3.67Å; R172-E296 PolarHBondContact NE-OE1 2.93Å; R172-E296 IonicContact NE-OE2 2.84Å; R172-E296 PolarHBondContact NE-OE2 3.06Å; R172-E296 IonicContact NH2-OE1 3.66Å; R172-E296 PolarHBondContact NH2-OE1 3.05Å; R172-E296 IonicContact NH2-OE2 3.78Å; R172-E296 PolarHBondContact NH2-OE2 3.07Å; E296-F298 VanDerWaalsContact C-N 3.27Å; E296-F298 PolarHBondContact O-N 3.08Å; E296-L299 HydrophobicContact CB-CB 3.86Å; E296-L299 PolarHBondContact O-N 3.41Å; E296-L299 VanDerWaalsContact O-N 3.13Å; E296-Q300 PolarHBondContact O-N 2.65Å
297	P	83.6	Confident	79.6	Confident	23 Å²	23	30.3 Å²	30.3	15%	0.149	15%	0.149	C	C	.	.	H	α-helix	trans	-56.7	-39.4	-170.7	-28.4	35.2	0	0	0	113.8	P174 F224 Q300 W301	P174-P297 HydrophobicContact CG-CG 4.42Å; F224-P297 HydrophobicContact CB-CB 4Å; F224-P297 HydrophobicContact CD1-CB 3.79Å; F224-P297 WeakPolarHBondContact CE1-O 3.24Å; F224-P297 HydrophobicContact CG-CB 4.31Å; P297-Q300 PolarHBondContact O-N 2.54Å; P297-W301 PolarHBondContact O-N 3.38Å; P297-W301 VanDerWaalsContact O-N 3.16Å
298	F	88.3	Confident	80.3	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-46.7	177.3	-179.3	-94.4	0	0	0	112.5	F224 E296 Q300 W301 M302 Y319 Y330 I334 F338 F350 P373	F224-F298 HydrophobicContact CD2-CD2 4.15Å; F224-F298 AromaticContact CE2-CD2 3.56Å; F224-F298 HydrophobicContact CE2-CD2 3.56Å; F224-F298 HydrophobicContact CE2-CE2 4.26Å; F224-F298 AromaticContact CZ-CD2 3.81Å; F224-F298 HydrophobicContact CZ-CD2 3.81Å; F224-F298 HydrophobicContact CZ-CE2 4.48Å; E296-F298 VanDerWaalsContact C-N 3.27Å; E296-F298 PolarHBondContact O-N 3.08Å; F298-Q300 VanDerWaalsContact C-N 3.29Å; F298-Q300 PolarHBondContact O-N 2.85Å; F298-W301 HydrophobicContact CD2-CE3 4.16Å; F298-W301 HydrophobicContact CD2-CZ3 4.46Å; F298-W301 AromaticContact CE2-CE3 3.79Å; F298-W301 HydrophobicContact CE2-CE3 3.79Å; F298-W301 AromaticContact CE2-CZ3 3.68Å; F298-W301 HydrophobicContact CE2-CZ3 3.68Å; F298-W301 HydrophobicContact CZ-CE3 4.37Å; F298-W301 HydrophobicContact CZ-CZ3 4.16Å; F298-W301 PolarHBondContact O-N 3.16Å; F298-M302 HydrophobicContact CE1-CG 3.98Å; F298-M302 HydrophobicContact CZ-CE 4.32Å; F298-M302 HydrophobicContact CZ-CG 4.24Å; F298-M302 PolarHBondContact O-N 3.46Å; F298-M302 VanDerWaalsContact O-N 3.13Å; F298-Y319 HydrophobicContact CB-CD1 4.46Å; F298-Y319 HydrophobicContact CB-CD2 4.18Å; F298-Y319 HydrophobicContact CB-CE1 4.11Å; F298-Y319 HydrophobicContact CB-CE2 3.71Å; F298-Y319 HydrophobicContact CD1-CE1 4.39Å; F298-Y319 AromaticContact CD2-CD1 3.64Å; F298-Y319 HydrophobicContact CD2-CD1 3.64Å; F298-Y319 HydrophobicContact CD2-CD2 4.19Å; F298-Y319 HydrophobicContact CD2-CE1 4.01Å; F298-Y319 HydrophobicContact CD2-CE2 4.44Å; F298-Y319 AromaticContact CD2-CG 3.77Å; F298-Y319 HydrophobicContact CD2-CG 3.77Å; F298-Y319 HydrophobicContact CE2-CD1 4.11Å; F298-Y319 HydrophobicContact CE2-CG 4.44Å; F298-Y319 HydrophobicContact CG-CD1 4.01Å; F298-Y319 HydrophobicContact CG-CD2 4.48Å; F298-Y319 AromaticContact CG-CE1 3.87Å; F298-Y319 HydrophobicContact CG-CE1 3.87Å; F298-Y319 HydrophobicContact CG-CE2 4.28Å; F298-Y319 HydrophobicContact CG-CG 4.34Å; F298-Y330 WeakPolarHBondContact CD1-OH 3.33Å; F298-I334 HydrophobicContact CE1-CD1 4.22Å; F298-I334 HydrophobicContact CE1-CG1 4.38Å; F298-I334 HydrophobicContact CE1-CG2 3.71Å; F298-I334 HydrophobicContact CZ-CG2 4.16Å; F298-F338 AromaticContact CZ-CE1 3.96Å; F298-F338 HydrophobicContact CZ-CE1 3.96Å; F298-F338 AromaticContact CZ-CZ 3.8Å; F298-F338 HydrophobicContact CZ-CZ 3.8Å; F298-F350 AromaticContact CE2-CE1 3.7Å; F298-F350 HydrophobicContact CE2-CE1 3.7Å; F298-F350 AromaticContact CE2-CZ 3.81Å; F298-F350 HydrophobicContact CE2-CZ 3.81Å; F298-F350 HydrophobicContact CZ-CE1 4.22Å; F298-F350 HydrophobicContact CZ-CZ 4.05Å; F298-P373 HydrophobicContact CE1-CG 4.33Å; F298-P373 HydrophobicContact CE2-CG 4.07Å; F298-P373 HydrophobicContact CZ-CG 3.71Å
299	L	90.8	Very high	81.4	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-38.8	176.2	-179.7	60.9	0	0	0	111.3	T49 F118 F166 E296 W301 M302 V303 I334	T49-L299 HydrophobicContact CG2-CD2 4.12Å; F118-L299 HydrophobicContact CE1-CD1 4Å; F118-L299 HydrophobicContact CZ-CD1 4.13Å; F166-L299 HydrophobicContact CE2-CD1 4.46Å; F166-L299 HydrophobicContact CE2-CD2 3.79Å; F166-L299 HydrophobicContact CZ-CD1 3.98Å; F166-L299 HydrophobicContact CZ-CD2 4.16Å; E296-L299 HydrophobicContact CB-CB 3.86Å; E296-L299 PolarHBondContact O-N 3.41Å; E296-L299 VanDerWaalsContact O-N 3.13Å; L299-W301 VanDerWaalsContact C-N 3.29Å; L299-W301 PolarHBondContact O-N 2.99Å; L299-M302 WeakPolarHBondContact O-CB 2.84Å; L299-M302 PolarHBondContact O-N 2.97Å; L299-V303 HydrophobicContact CG-CG2 4.49Å; L299-V303 VanDerWaalsContact O-CG2 3.3Å; L299-V303 WeakPolarHBondContact O-CG2 3.43Å; L299-V303 PolarHBondContact O-N 2.87Å; L299-I334 HydrophobicContact CD1-CD1 4.04Å
300	Q	89.9	Confident	83.1	Confident	20 Å²	20	39 Å²	39	9%	0.093	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-40.4	176.9	-173.9	60.1	44.7	0	0	111.7	E296 P297 F298 V303 L304	E296-Q300 PolarHBondContact O-N 2.65Å; P297-Q300 PolarHBondContact O-N 2.54Å; F298-Q300 VanDerWaalsContact C-N 3.29Å; F298-Q300 PolarHBondContact O-N 2.85Å; Q300-V303 PolarHBondContact O-N 3.37Å; Q300-L304 WeakPolarHBondContact O-CG 3.34Å; Q300-L304 PolarHBondContact O-N 2.98Å
301	W	92.4	Very high	85.4	Confident	5 Å²	5	38.3 Å²	38.3	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-42.6	174.6	170.4	68.6	0	0	0	112.3	A222 F224 F286 P297 F298 L299 V303 L304 L305 H315 I317 L348 F350	A222-W301 HydrophobicContact CB-CD2 4.15Å; A222-W301 HydrophobicContact CB-CG 4.36Å; A222-W301 HydrophobicContact CB-CZ2 4.3Å; F224-W301 HydrophobicContact CE1-CB 3.51Å; F224-W301 HydrophobicContact CE1-CD2 4.45Å; F224-W301 HydrophobicContact CE1-CG 4.04Å; F224-W301 HydrophobicContact CE2-CE3 4.4Å; F224-W301 HydrophobicContact CZ-CB 3.79Å; F224-W301 AromaticContact CZ-CD2 3.81Å; F224-W301 HydrophobicContact CZ-CD2 3.81Å; F224-W301 AromaticContact CZ-CE3 3.61Å; F224-W301 HydrophobicContact CZ-CE3 3.61Å; F224-W301 AromaticContact CZ-CG 3.87Å; F224-W301 HydrophobicContact CZ-CG 3.87Å; F224-W301 HydrophobicContact CZ-CZ3 4.45Å; F286-W301 AromaticContact CD1-CD1 3.6Å; F286-W301 AromaticContact CD1-NE1 3.96Å; F286-W301 AromaticContact CG-CD1 3.81Å; F286-W301 AromaticContact CG-NE1 3.91Å; P297-W301 PolarHBondContact O-N 3.38Å; P297-W301 VanDerWaalsContact O-N 3.16Å; F298-W301 HydrophobicContact CD2-CE3 4.16Å; F298-W301 HydrophobicContact CD2-CZ3 4.46Å; F298-W301 AromaticContact CE2-CE3 3.79Å; F298-W301 HydrophobicContact CE2-CE3 3.79Å; F298-W301 AromaticContact CE2-CZ3 3.68Å; F298-W301 HydrophobicContact CE2-CZ3 3.68Å; F298-W301 HydrophobicContact CZ-CE3 4.37Å; F298-W301 HydrophobicContact CZ-CZ3 4.16Å; F298-W301 PolarHBondContact O-N 3.16Å; L299-W301 VanDerWaalsContact C-N 3.29Å; L299-W301 PolarHBondContact O-N 2.99Å; W301-V303 VanDerWaalsContact C-N 3.34Å; W301-V303 PolarHBondContact O-N 3.03Å; W301-L304 WeakPolarHBondContact O-CB 3.3Å; W301-L304 PolarHBondContact O-N 3.34Å; W301-L304 VanDerWaalsContact O-N 3.13Å; W301-L305 HydrophobicContact CD2-CD1 4.48Å; W301-L305 HydrophobicContact CH2-CD1 4.1Å; W301-L305 HydrophobicContact CZ2-CD1 3.67Å; W301-L305 HydrophobicContact CZ2-CD2 4.3Å; W301-L305 HydrophobicContact CZ2-CG 4.31Å; W301-L305 WeakPolarHBondContact O-CG 3.5Å; W301-L305 PolarHBondContact O-N 2.93Å; W301-H315 HydrophobicContact CZ2-CB 4.24Å; W301-I317 HydrophobicContact CH2-CD1 3.51Å; W301-I317 HydrophobicContact CH2-CG1 3.51Å; W301-I317 HydrophobicContact CZ2-CD1 4.02Å; W301-I317 HydrophobicContact CZ2-CG1 3.97Å; W301-I317 HydrophobicContact CZ3-CD1 4.3Å; W301-I317 HydrophobicContact CZ3-CG1 3.9Å; W301-L348 HydrophobicContact CH2-CD2 4.21Å; W301-L348 HydrophobicContact CZ2-CD2 4.33Å; W301-F350 HydrophobicContact CH2-CZ 4.29Å; W301-F350 AromaticContact CZ3-CZ 3.95Å; W301-F350 HydrophobicContact CZ3-CZ 3.95Å
302	M	92.2	Very high	87.6	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-57.3	-45.2	172.8	-75.1	-68.9	109.1	0	0	112.8	F298 L299 L304 L305 S306 I334 E337 F338	F298-M302 HydrophobicContact CE1-CG 3.98Å; F298-M302 HydrophobicContact CZ-CE 4.32Å; F298-M302 HydrophobicContact CZ-CG 4.24Å; F298-M302 PolarHBondContact O-N 3.46Å; F298-M302 VanDerWaalsContact O-N 3.13Å; L299-M302 WeakPolarHBondContact O-CB 2.84Å; L299-M302 PolarHBondContact O-N 2.97Å; M302-L304 VanDerWaalsContact C-N 3.29Å; M302-L304 PolarHBondContact O-N 3Å; M302-L305 HydrophobicContact CE-CD1 3.58Å; M302-L305 PolarHBondContact O-N 2.75Å; M302-S306 PolarHBondContact O-N 3.39Å; M302-I334 HydrophobicContact CG-CD1 4.22Å; M302-E337 HydrophobicContact CG-CB 4.49Å; M302-E337 HydrophobicContact SD-CB 3.62Å; M302-F338 HydrophobicContact CE-CD1 4.18Å; M302-F338 HydrophobicContact CE-CE1 3.79Å; M302-F338 HydrophobicContact SD-CD1 4.02Å; M302-F338 HydrophobicContact SD-CE1 3.84Å
303	V	92.2	Very high	89.3	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-40.9	176.1	171.1	0	0	0	0	110.8	T49 V113 F118 Q120 L299 Q300 W301 S306 N307	T49-V303 HydrophobicContact CG2-CG2 4.21Å; V113-V303 HydrophobicContact CG1-CG1 3.39Å; V113-V303 WeakPolarHBondContact CG1-O 3.3Å; F118-V303 HydrophobicContact CB-CG2 4.26Å; F118-V303 HydrophobicContact CD1-CG2 4.11Å; F118-V303 HydrophobicContact CD2-CG2 3.89Å; F118-V303 HydrophobicContact CE1-CG2 4.38Å; F118-V303 HydrophobicContact CE2-CG2 4.15Å; F118-V303 HydrophobicContact CG-CG2 3.84Å; F118-V303 HydrophobicContact CZ-CG2 4.38Å; Q120-V303 HydrophobicContact CG-CG1 4.45Å; L299-V303 HydrophobicContact CG-CG2 4.49Å; L299-V303 VanDerWaalsContact O-CG2 3.3Å; L299-V303 WeakPolarHBondContact O-CG2 3.43Å; L299-V303 PolarHBondContact O-N 2.87Å; Q300-V303 PolarHBondContact O-N 3.37Å; W301-V303 VanDerWaalsContact C-N 3.34Å; W301-V303 PolarHBondContact O-N 3.03Å; V303-S306 PolarHBondContact O-N 3.01Å; V303-N307 PolarHBondContact O-N 2.88Å
304	L	92.8	Very high	90.7	Very high	47 Å²	47	26.6 Å²	26.6	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-64.6	-42.9	177	-71.5	172.1	0	0	0	112.6	V255 Q300 W301 M302 S306 N307 M308	V255-L304 HydrophobicContact CG1-CD1 4.23Å; Q300-L304 WeakPolarHBondContact O-CG 3.34Å; Q300-L304 PolarHBondContact O-N 2.98Å; W301-L304 WeakPolarHBondContact O-CB 3.3Å; W301-L304 PolarHBondContact O-N 3.34Å; W301-L304 VanDerWaalsContact O-N 3.13Å; M302-L304 VanDerWaalsContact C-N 3.29Å; M302-L304 PolarHBondContact O-N 3Å; L304-S306 PolarHBondContact O-N 3.42Å; L304-N307 PolarHBondContact O-N 3.14Å; L304-M308 HydrophobicContact CB-SD 4.39Å; L304-M308 WeakPolarHBondContact O-CG 3.47Å; L304-M308 PolarHBondContact O-N 3.43Å; L304-M308 VanDerWaalsContact O-N 3.16Å
305	L	94.1	Very high	92.1	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-57.1	-38.6	176.9	-62.6	-173.8	0	0	0	111.1	W301 M302 N307 L311 R344	W301-L305 HydrophobicContact CD2-CD1 4.48Å; W301-L305 HydrophobicContact CH2-CD1 4.1Å; W301-L305 HydrophobicContact CZ2-CD1 3.67Å; W301-L305 HydrophobicContact CZ2-CD2 4.3Å; W301-L305 HydrophobicContact CZ2-CG 4.31Å; W301-L305 WeakPolarHBondContact O-CG 3.5Å; W301-L305 PolarHBondContact O-N 2.93Å; M302-L305 HydrophobicContact CE-CD1 3.58Å; M302-L305 PolarHBondContact O-N 2.75Å; L305-N307 PolarHBondContact O-N 2.85Å; L305-L311 HydrophobicContact CB-CD1 4.27Å; L305-L311 HydrophobicContact CD2-CD1 3.81Å; L305-L311 HydrophobicContact CD2-CD2 3.94Å; L305-R344 PolarHBondContact O-NH1 3.44Å
306	S	92.5	Very high	93.3	Very high	5 Å²	5	24.7 Å²	24.7	4%	0.035	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.6	177	-77.5	0	0	0	0	115.1	T115 M302 V303 L304 E337 K340	T115-S306 WeakPolarHBondContact OG1-CB 3.39Å; M302-S306 PolarHBondContact O-N 3.39Å; V303-S306 PolarHBondContact O-N 3.01Å; L304-S306 PolarHBondContact O-N 3.42Å; S306-E337 PolarHBondContact OG-OE2 2.83Å; S306-K340 WeakPolarHBondContact OG-CE 3.37Å; S306-K340 PolarHBondContact OG-NZ 3.19Å
307	N	95.8	Very high	93.8	Very high	80 Å²	80	24.1 Å²	24.1	43%	0.428	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-7.1	-178.3	-156.7	37.5	0	0	0	114.2	V113 H114 V303 L304 L305	V113-N307 WeakPolarHBondContact CA-OD1 3.41Å; V113-N307 HydrophobicContact CB-CB 4Å; V113-N307 HydrophobicContact CG1-CB 3.96Å; H114-N307 PolarHBondContact N-OD1 2.86Å; V303-N307 PolarHBondContact O-N 2.88Å; L304-N307 PolarHBondContact O-N 3.14Å; L305-N307 PolarHBondContact O-N 2.85Å
308	M	95.4	Very high	94.1	Very high	27 Å²	27	23.5 Å²	23.5	13%	0.133	13%	0.126	C	C	.	.			trans	-113.2	116.8	-176.1	-65.9	176	67.2	0	0	110	V255 W284 F286 L304 L311 R344	V255-M308 HydrophobicContact CG1-SD 4.47Å; W284-M308 HydrophobicContact CE3-CE 4.5Å; W284-M308 HydrophobicContact CH2-CE 4.33Å; W284-M308 HydrophobicContact CZ3-CE 3.58Å; F286-M308 HydrophobicContact CE1-SD 4.31Å; L304-M308 HydrophobicContact CB-SD 4.39Å; L304-M308 WeakPolarHBondContact O-CG 3.47Å; L304-M308 PolarHBondContact O-N 3.43Å; L304-M308 VanDerWaalsContact O-N 3.16Å; M308-L311 HydrophobicContact CB-CD1 4.44Å; M308-L311 HydrophobicContact CB-CD2 3.81Å; M308-L311 HydrophobicContact CB-CG 3.99Å; M308-L311 HydrophobicContact CE-CD2 4.05Å; M308-L311 HydrophobicContact SD-CD2 4.11Å; M308-R344 PolarHBondContact O-NH2 3.01Å
309	S	94.4	Very high	93.9	Very high	78 Å²	78	24.4 Å²	24.4	55%	0.545	13%	0.129	S	C	.	.	S	Bend	trans	-65.9	-45.6	176.2	46.1	0	0	0	0	111.8	R344	S309-R344 PolarHBondContact O-NH2 2.98Å; S309-R344 VanDerWaalsContact O-NH2 3.12Å
310	D	92.1	Very high	93.7	Very high	122 Å²	122	26 Å²	26	65%	0.652	15%	0.146	S	C	*	.	S	Bend	trans	-98.9	108.9	-176.1	-52.3	-60.8	0	0	0	109.4
311	L	96.5	Very high	93.7	Very high	16 Å²	16	26.3 Å²	26.3	8%	0.084	15%	0.148	C	C	.	.			trans	-130.9	150.5	-179	-74.2	169.6	0	0	0	110	F286 L305 M308 L346	F286-L311 HydrophobicContact CZ-CD2 3.98Å; L305-L311 HydrophobicContact CB-CD1 4.27Å; L305-L311 HydrophobicContact CD2-CD1 3.81Å; L305-L311 HydrophobicContact CD2-CD2 3.94Å; M308-L311 HydrophobicContact CB-CD1 4.44Å; M308-L311 HydrophobicContact CB-CD2 3.81Å; M308-L311 HydrophobicContact CB-CG 3.99Å; M308-L311 HydrophobicContact CE-CD2 4.05Å; M308-L311 HydrophobicContact SD-CD2 4.11Å; L311-L346 HydrophobicContact CB-CD1 4.46Å; L311-L346 HydrophobicContact CB-CD2 4.18Å; L311-L346 HydrophobicContact CD1-CD1 3.78Å
312	P	98.2	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.			trans	-56.6	143.5	168.1	-30.7	41.5	0	0	0	113	S218 Q219 A220 W284 V314 H315 L346	S218-P312 WeakPolarHBondContact OG-CA 3.17Å; Q219-P312 VanDerWaalsContact C-CB 3.49Å; A220-P312 HydrophobicContact CB-CB 3.83Å; A220-P312 HydrophobicContact CB-CG 3.93Å; W284-P312 HydrophobicContact CB-CG 4.04Å; W284-P312 HydrophobicContact CD2-CG 3.6Å; W284-P312 HydrophobicContact CE3-CG 3.82Å; W284-P312 HydrophobicContact CG-CG 3.69Å; W284-P312 HydrophobicContact CZ3-CG 4.42Å; P312-V314 VanDerWaalsContact C-N 3.28Å; P312-V314 PolarHBondContact O-N 3.2Å; P312-H315 PolarHBondContact O-CD2 2.96Å; P312-H315 VanDerWaalsContact O-CD2 3.28Å; P312-H315 PolarHBondContact O-NE2 2.7Å; P312-L346 WeakPolarHBondContact O-CD2 3.45Å
313	W	98.3	Very high	93.7	Very high	71 Å²	71	28.9 Å²	28.9	27%	0.269	16%	0.162	S	C	.	.	S	Bend	trans	-69.8	-28.9	-175.4	-63.2	114.4	0	0	0	112.7	N216 S218 S347 A494	N216-W313 PolarHBondContact O-NE1 3.37Å; S218-W313 PolarHBondContact O-N 3.47Å; W313-S347 PolarHBondContact O-N 3.36Å; W313-A494 HydrophobicContact CB-CB 4.29Å; W313-A494 HydrophobicContact CD2-CB 3.78Å; W313-A494 HydrophobicContact CE3-CB 3.69Å; W313-A494 HydrophobicContact CG-CB 4.05Å; W313-A494 HydrophobicContact CZ3-CB 4.31Å
314	V	98.8	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.7	-177.1	-176.7	0	0	0	0	109.3	Q219 A220 P312 T316 S347 L349 S481 N484	Q219-V314 CarbonylContact C-O 3.36Å; Q219-V314 WeakPolarHBondContact CA-O 3.39Å; A220-V314 PolarHBondContact N-O 2.97Å; P312-V314 VanDerWaalsContact C-N 3.28Å; P312-V314 PolarHBondContact O-N 3.2Å; V314-T316 HydrophobicContact CG1-CG2 4.47Å; V314-S347 WeakPolarHBondContact CA-O 3.49Å; V314-L349 HydrophobicContact CG1-CD1 3.59Å; V314-S481 VanDerWaalsContact CB-OG 3.25Å; V314-S481 WeakPolarHBondContact CB-OG 3.2Å; V314-S481 VanDerWaalsContact CG2-OG 3.26Å; V314-S481 WeakPolarHBondContact CG2-OG 3.12Å; V314-N484 WeakPolarHBondContact CG2-ND2 3.32Å
315	H	98.7	Very high	93.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.7	174	-65.5	-107	0	0	0	109.3	A220 F286 W301 P312 I317 S347 L348 L349	A220-H315 CarbonylContact O-C 3.58Å; A220-H315 WeakPolarHBondContact O-CA 3.14Å; F286-H315 AromaticContact CE2-CE1 3.77Å; F286-H315 AromaticContact CE2-ND1 4Å; W301-H315 HydrophobicContact CZ2-CB 4.24Å; P312-H315 PolarHBondContact O-CD2 2.96Å; P312-H315 VanDerWaalsContact O-CD2 3.28Å; P312-H315 PolarHBondContact O-NE2 2.7Å; H315-I317 HydrophobicContact CB-CD1 3.85Å; H315-I317 WeakPolarHBondContact O-CD1 3.45Å; H315-S347 PolarHBondContact N-O 3.15Å; H315-L348 HydrophobicContact CB-CD2 3.73Å; H315-L349 PolarHBondContact O-N 3.42Å
316	T	98.4	Very high	93.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.5	175.2	59.4	0	0	0	0	109.4	A220 V221 A222 I274 V314 L349 T473	A220-T316 PolarHBondContact O-N 3.24Å; A220-T316 PolarHBondContact O-OG1 3.4Å; V221-T316 WeakPolarHBondContact CA-O 3.11Å; V221-T316 WeakPolarHBondContact CG1-OG1 3.22Å; A222-T316 PolarHBondContact N-O 3.45Å; I274-T316 HydrophobicContact CD1-CG2 3.95Å; V314-T316 HydrophobicContact CG1-CG2 4.47Å; T316-L349 HydrophobicContact CG2-CB 4.33Å; T316-T473 HydrophobicContact CG2-CG2 4.4Å
317	I	94.4	Very high	93.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.5	-167.4	-57.4	96.6	0	0	0	110.9	A222 F224 W301 H315 L349 F350 A351	A222-I317 HydrophobicContact CB-CG1 4.07Å; F224-I317 HydrophobicContact CD2-CG2 4.45Å; F224-I317 HydrophobicContact CE2-CG2 3.61Å; F224-I317 HydrophobicContact CZ-CG2 4.48Å; W301-I317 HydrophobicContact CH2-CD1 3.51Å; W301-I317 HydrophobicContact CH2-CG1 3.51Å; W301-I317 HydrophobicContact CZ2-CD1 4.02Å; W301-I317 HydrophobicContact CZ2-CG1 3.97Å; W301-I317 HydrophobicContact CZ3-CD1 4.3Å; W301-I317 HydrophobicContact CZ3-CG1 3.9Å; H315-I317 HydrophobicContact CB-CD1 3.85Å; H315-I317 WeakPolarHBondContact O-CD1 3.45Å; I317-L349 VanDerWaalsContact CD1-O 3.3Å; I317-L349 WeakPolarHBondContact CD1-O 3.4Å; I317-L349 PolarHBondContact N-O 3.02Å; I317-F350 HydrophobicContact CB-CD1 3.77Å; I317-F350 HydrophobicContact CB-CE1 3.65Å; I317-F350 HydrophobicContact CB-CE2 4.44Å; I317-F350 HydrophobicContact CB-CG 4.24Å; I317-F350 HydrophobicContact CB-CZ 4.02Å; I317-F350 HydrophobicContact CD1-CD2 4.29Å; I317-F350 HydrophobicContact CD1-CE2 3.94Å; I317-F350 HydrophobicContact CD1-CZ 4.11Å; I317-F350 HydrophobicContact CG1-CE1 4.28Å; I317-F350 HydrophobicContact CG1-CE2 4.47Å; I317-F350 HydrophobicContact CG1-CZ 4.16Å; I317-F350 HydrophobicContact CG2-CD1 3.72Å; I317-F350 HydrophobicContact CG2-CE1 3.33Å; I317-F350 HydrophobicContact CG2-CZ 4Å; I317-F350 WeakPolarHBondContact O-CA 3.47Å; I317-A351 PolarHBondContact O-N 3.07Å; I317-A351 VanDerWaalsContact O-N 3.08Å
318	S	88.8	Confident	93.4	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.07	16%	0.164	C	C	.	.			trans	-101.5	78.6	174.6	-57	0	0	0	0	109.2	E266 D270 S470	E266-S318 WeakPolarHBondContact OE1-CB 3.43Å; D270-S318 PolarHBondContact OD1-OG 3.39Å; S318-S470 WeakPolarHBondContact CB-OG 3.5Å; S318-S470 WeakPolarHBondContact OG-CA 3.13Å; S318-S470 WeakPolarHBondContact OG-CB 3.29Å
319	Y	85.8	Confident	93.4	Very high	21 Å²	21	28.2 Å²	28.2	8%	0.082	17%	0.171	C	C	.	.			trans	-148.2	139.5	-178.4	-174.1	-89.9	0	0	0	111.3	P175 F224 F298 D321 P373	P175-Y319 VanDerWaalsContact CD-CE2 3.46Å; P175-Y319 HydrophobicContact CG-CD2 3.76Å; P175-Y319 HydrophobicContact CG-CE2 3.55Å; F224-Y319 HydrophobicContact CB-CD2 3.88Å; F224-Y319 HydrophobicContact CB-CE2 4.29Å; F224-Y319 AromaticContact CD2-CD2 3.42Å; F224-Y319 HydrophobicContact CD2-CD2 3.42Å; F224-Y319 VanDerWaalsContact CD2-CD2 3.42Å; F224-Y319 HydrophobicContact CD2-CE2 4.34Å; F224-Y319 AromaticContact CD2-CG 3.82Å; F224-Y319 HydrophobicContact CD2-CG 3.82Å; F224-Y319 HydrophobicContact CE2-CD2 4.24Å; F224-Y319 HydrophobicContact CE2-CG 4.25Å; F224-Y319 AromaticContact CG-CD2 3.92Å; F224-Y319 HydrophobicContact CG-CD2 3.92Å; F224-Y319 HydrophobicContact CG-CE2 4.49Å; F298-Y319 HydrophobicContact CB-CD1 4.46Å; F298-Y319 HydrophobicContact CB-CD2 4.18Å; F298-Y319 HydrophobicContact CB-CE1 4.11Å; F298-Y319 HydrophobicContact CB-CE2 3.71Å; F298-Y319 HydrophobicContact CD1-CE1 4.39Å; F298-Y319 AromaticContact CD2-CD1 3.64Å; F298-Y319 HydrophobicContact CD2-CD1 3.64Å; F298-Y319 HydrophobicContact CD2-CD2 4.19Å; F298-Y319 HydrophobicContact CD2-CE1 4.01Å; F298-Y319 HydrophobicContact CD2-CE2 4.44Å; F298-Y319 AromaticContact CD2-CG 3.77Å; F298-Y319 HydrophobicContact CD2-CG 3.77Å; F298-Y319 HydrophobicContact CE2-CD1 4.11Å; F298-Y319 HydrophobicContact CE2-CG 4.44Å; F298-Y319 HydrophobicContact CG-CD1 4.01Å; F298-Y319 HydrophobicContact CG-CD2 4.48Å; F298-Y319 AromaticContact CG-CE1 3.87Å; F298-Y319 HydrophobicContact CG-CE1 3.87Å; F298-Y319 HydrophobicContact CG-CE2 4.28Å; F298-Y319 HydrophobicContact CG-CG 4.34Å; Y319-D321 VanDerWaalsContact CE1-OD2 3.29Å; Y319-D321 WeakPolarHBondContact CE1-OD2 3.16Å; Y319-D321 VanDerWaalsContact CZ-OD2 3.26Å; Y319-D321 PolarHBondContact OH-OD2 3.17Å; Y319-P373 HydrophobicContact CD1-CG 4.3Å
320	G	86.6	Confident	93.4	Very high	35 Å²	35	24.6 Å²	24.6	36%	0.361	15%	0.146	S	C	.	.			trans	-167.1	141.1	168.9	0	0	0	0	0	112.8	F372	G320-F372 CarbonylContact C-O 3.51Å; G320-F372 WeakPolarHBondContact CA-O 3.34Å
321	D	88.6	Confident	93.6	Very high	27 Å²	27	19 Å²	19	14%	0.144	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	160.7	165.2	-66.5	-60.6	0	0	0	109.1	Y319 E323 L326 S371 F372	Y319-D321 VanDerWaalsContact CE1-OD2 3.29Å; Y319-D321 WeakPolarHBondContact CE1-OD2 3.16Å; Y319-D321 VanDerWaalsContact CZ-OD2 3.26Å; Y319-D321 PolarHBondContact OH-OD2 3.17Å; D321-E323 PolarHBondContact O-N 2.98Å; D321-L326 HydrophobicContact CB-CD1 4.1Å; D321-L326 HydrophobicContact CB-CD2 4.1Å; D321-L326 HydrophobicContact CB-CG 4.17Å; D321-S371 CarbonylContact O-C 3.09Å; D321-S371 VanDerWaalsContact O-CA 3.23Å; D321-S371 WeakPolarHBondContact O-CA 3.26Å; D321-S371 WeakPolarHBondContact O-CB 3.46Å; D321-F372 PolarHBondContact N-O 2.98Å; D321-F372 PolarHBondContact O-N 2.75Å
322	D	91.3	Very high	93.7	Very high	57 Å²	57	21.9 Å²	21.9	31%	0.305	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.6	167.8	-59.6	-59.5	0	0	0	109.2	D324 S325 R369	D322-D324 PolarHBondContact O-N 3.18Å; D322-S325 WeakPolarHBondContact O-CB 3.35Å; D322-S325 PolarHBondContact O-N 3.42Å; D322-S325 PolarHBondContact O-OG 3.19Å; D322-R369 HydrophobicContact CB-CG 4.32Å; D322-R369 IonicContact OD1-CZ 3.75Å; D322-R369 IonicContact OD1-NE 3.98Å; D322-R369 IonicContact OD1-NH1 3.69Å; D322-R369 IonicContact OD2-CZ 3.75Å; D322-R369 IonicContact OD2-NE 3.53Å; D322-R369 IonicContact OD2-NH1 3.3Å; D322-R369 PolarHBondContact OD2-NH1 2.85Å; D322-R369 IonicContact OD2-NH2 3.36Å; D322-R369 PolarHBondContact OD2-NH2 3.32Å
323	E	93.8	Very high	93.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-58.4	-37.2	-174.7	-172.7	-175.7	-109.3	0	0	112	D321 S325 L326 M331 P370 F372 S375 S407 N408 V409	D321-E323 PolarHBondContact O-N 2.98Å; E323-S325 PolarHBondContact O-N 3.34Å; E323-L326 PolarHBondContact O-N 2.92Å; E323-M331 HydrophobicContact CG-CE 4.42Å; E323-M331 HydrophobicContact CG-SD 3.64Å; E323-M331 WeakPolarHBondContact O-CE 3.47Å; E323-P370 HydrophobicContact CB-CG 4.13Å; E323-P370 VanDerWaalsContact CB-O 3.3Å; E323-P370 WeakPolarHBondContact CB-O 3.14Å; E323-P370 PolarHBondContact N-O 2.84Å; E323-P370 WeakPolarHBondContact OE2-CG 3.48Å; E323-F372 HydrophobicContact CB-CB 4.39Å; E323-F372 HydrophobicContact CG-CB 4.46Å; E323-S375 WeakPolarHBondContact OE1-CB 3.48Å; E323-S375 PolarHBondContact OE1-OG 2.73Å; E323-S407 WeakPolarHBondContact OE1-CB 3.22Å; E323-S407 PolarHBondContact OE1-OG 3.29Å; E323-S407 PolarHBondContact OE2-OG 3.03Å; E323-N408 WeakPolarHBondContact OE2-CA 3.4Å; E323-N408 PolarHBondContact OE2-N 2.98Å; E323-V409 HydrophobicContact CG-CB 4.43Å; E323-V409 HydrophobicContact CG-CG2 3.78Å; E323-V409 PolarHBondContact OE2-N 2.61Å
324	D	91.9	Very high	93.6	Very high	47 Å²	47	18.7 Å²	18.7	25%	0.251	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-72.9	-6.6	178	64.2	-84.1	0	0	0	114.7	D322 R360 R369	D322-D324 PolarHBondContact O-N 3.18Å; D324-R360 IonicContact OD2-CZ 3.8Å; D324-R360 IonicContact OD2-NE 3.39Å; D324-R360 PolarHBondContact OD2-NE 2.83Å; D324-R369 WeakPolarHBondContact OD1-CG 2.95Å; D324-R369 IonicContact OD1-CZ 2.63Å; D324-R369 IonicContact OD1-NE 2.82Å; D324-R369 PolarHBondContact OD1-NE 3.48Å; D324-R369 IonicContact OD1-NH2 3.31Å; D324-R369 IonicContact OD2-CZ 3.24Å; D324-R369 IonicContact OD2-NE 3.42Å; D324-R369 PolarHBondContact OD2-NE 2.84Å; D324-R369 IonicContact OD2-NH2 3.19Å; D324-R369 PolarHBondContact OD2-NH2 2.88Å
325	S	90.3	Very high	93.6	Very high	23 Å²	23	19.1 Å²	19.1	16%	0.161	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-89.2	-13.1	177.4	75.7	0	0	0	0	113.6	Q26 D322 E323	Q26-S325 PolarHBondContact NE2-O 3.44Å; D322-S325 WeakPolarHBondContact O-CB 3.35Å; D322-S325 PolarHBondContact O-N 3.42Å; D322-S325 PolarHBondContact O-OG 3.19Å; E323-S325 PolarHBondContact O-N 3.34Å
326	L	92.4	Very high	93.6	Very high	7 Å²	7	19.5 Å²	19.5	4%	0.037	13%	0.127	C	C	.	.	S	Bend	trans	-103.2	149.1	-174.1	-58.6	176.9	0	0	0	111.1	R172 D321 E323 Y330 M331 F372	R172-L326 HydrophobicContact CG-CD2 4.01Å; D321-L326 HydrophobicContact CB-CD1 4.1Å; D321-L326 HydrophobicContact CB-CD2 4.1Å; D321-L326 HydrophobicContact CB-CG 4.17Å; E323-L326 PolarHBondContact O-N 2.92Å; L326-Y330 HydrophobicContact CB-CD1 4.37Å; L326-Y330 HydrophobicContact CD1-CD1 4.18Å; L326-Y330 HydrophobicContact CD1-CE1 4.16Å; L326-Y330 HydrophobicContact CD2-CD1 4.19Å; L326-Y330 HydrophobicContact CD2-CE1 4.18Å; L326-Y330 HydrophobicContact CG-CD1 4.5Å; L326-M331 HydrophobicContact CB-CE 4.06Å; L326-M331 HydrophobicContact CB-CG 3.67Å; L326-M331 HydrophobicContact CB-SD 3.9Å; L326-M331 HydrophobicContact CD1-CG 3.77Å; L326-M331 HydrophobicContact CD1-SD 4.16Å; L326-M331 HydrophobicContact CG-CG 4.4Å; L326-M331 WeakPolarHBondContact O-CE 3.36Å; L326-F372 HydrophobicContact CD1-CB 3.9Å; L326-F372 HydrophobicContact CD1-CD1 3.44Å; L326-F372 VanDerWaalsContact CD1-CD1 3.44Å; L326-F372 HydrophobicContact CD1-CE1 4.33Å; L326-F372 HydrophobicContact CD1-CG 3.97Å
327	S	94.2	Very high	93.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.128	C	C	.	.			trans	-67.3	146.3	169.9	61.5	0	0	0	0	111.9	E23 D25 Q26 A329 Y330 M331	E23-S327 PolarHBondContact OE1-OG 3.31Å; D25-S327 WeakPolarHBondContact OD1-CA 3.38Å; D25-S327 WeakPolarHBondContact OD1-CB 3.34Å; Q26-S327 VanDerWaalsContact OE1-N 3.09Å; S327-A329 PolarHBondContact O-N 2.87Å; S327-Y330 PolarHBondContact O-N 3.24Å; S327-Y330 WeakPolarHBondContact OG-CB 3.48Å; S327-Y330 PolarHBondContact OG-N 2.88Å; S327-Y330 VanDerWaalsContact OG-N 3.08Å; S327-M331 PolarHBondContact O-N 3Å
328	A	93.6	Very high	93.8	Very high	42 Å²	42	19.7 Å²	19.7	35%	0.347	13%	0.128	S	C	.	.	H	α-helix	trans	-58.3	-34.9	171.2	0	0	0	0	0	111.7	D25 T332	D25-A328 WeakPolarHBondContact OD2-CB 3.42Å; D25-A328 PolarHBondContact OD2-N 3.26Å; A328-T332 WeakPolarHBondContact O-CB 3.42Å; A328-T332 PolarHBondContact O-N 3.36Å; A328-T332 PolarHBondContact O-OG1 3.33Å
329	A	93.9	Very high	94.3	Very high	34 Å²	34	19.5 Å²	19.5	28%	0.281	13%	0.126	S	C	.	.	H	α-helix	trans	-62.9	-48.8	176.8	0	0	0	0	0	111.9	E23 S327 R333	E23-A329 HydrophobicContact CG-CB 4.36Å; S327-A329 PolarHBondContact O-N 2.87Å; A329-R333 WeakPolarHBondContact O-CB 3.29Å; A329-R333 PolarHBondContact O-N 3Å
330	Y	95.5	Very high	94.9	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-61.7	-52.6	176.6	176.4	-98.8	0	0	0	111.1	F166 R172 F298 L326 S327 T332 R333 I334 F372	F166-Y330 AromaticContact CE1-CD2 3.89Å; F166-Y330 HydrophobicContact CE1-CD2 3.89Å; F166-Y330 AromaticContact CE2-CD2 3.94Å; F166-Y330 HydrophobicContact CE2-CD2 3.94Å; F166-Y330 HydrophobicContact CE2-CE2 4.39Å; F166-Y330 AromaticContact CZ-CD2 3.61Å; F166-Y330 HydrophobicContact CZ-CD2 3.61Å; F166-Y330 HydrophobicContact CZ-CE2 4.06Å; R172-Y330 VanDerWaalsContact CZ-CD2 3.4Å; R172-Y330 VanDerWaalsContact NE-CE2 3.34Å; F298-Y330 WeakPolarHBondContact CD1-OH 3.33Å; L326-Y330 HydrophobicContact CB-CD1 4.37Å; L326-Y330 HydrophobicContact CD1-CD1 4.18Å; L326-Y330 HydrophobicContact CD1-CE1 4.16Å; L326-Y330 HydrophobicContact CD2-CD1 4.19Å; L326-Y330 HydrophobicContact CD2-CE1 4.18Å; L326-Y330 HydrophobicContact CG-CD1 4.5Å; S327-Y330 PolarHBondContact O-N 3.24Å; S327-Y330 WeakPolarHBondContact OG-CB 3.48Å; S327-Y330 PolarHBondContact OG-N 2.88Å; S327-Y330 VanDerWaalsContact OG-N 3.08Å; Y330-T332 VanDerWaalsContact C-N 3.33Å; Y330-T332 PolarHBondContact O-N 3.41Å; Y330-R333 PolarHBondContact O-N 2.9Å; Y330-R333 VanDerWaalsContact O-N 3.17Å; Y330-I334 HydrophobicContact CD1-CG1 4.08Å; Y330-I334 HydrophobicContact CD2-CD1 4.49Å; Y330-I334 HydrophobicContact CD2-CG1 4.15Å; Y330-I334 HydrophobicContact CE1-CG1 3.74Å; Y330-I334 HydrophobicContact CE2-CD1 3.89Å; Y330-I334 HydrophobicContact CE2-CG1 3.8Å; Y330-I334 HydrophobicContact CG-CG1 4.28Å; Y330-I334 WeakPolarHBondContact O-CG1 3.36Å; Y330-I334 PolarHBondContact O-N 2.72Å; Y330-F372 HydrophobicContact CE1-CE1 4.49Å
331	M	96.3	Very high	95.5	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.02	11%	0.107	C	C	.	.	H	α-helix	trans	-59	-42.5	-178.8	-78.1	-169.5	-71.2	0	0	112.7	E323 L326 S327 I334 N335 F372 V409 F410	E323-M331 HydrophobicContact CG-CE 4.42Å; E323-M331 HydrophobicContact CG-SD 3.64Å; E323-M331 WeakPolarHBondContact O-CE 3.47Å; L326-M331 HydrophobicContact CB-CE 4.06Å; L326-M331 HydrophobicContact CB-CG 3.67Å; L326-M331 HydrophobicContact CB-SD 3.9Å; L326-M331 HydrophobicContact CD1-CG 3.77Å; L326-M331 HydrophobicContact CD1-SD 4.16Å; L326-M331 HydrophobicContact CG-CG 4.4Å; L326-M331 WeakPolarHBondContact O-CE 3.36Å; S327-M331 PolarHBondContact O-N 3Å; M331-I334 PolarHBondContact O-N 3.17Å; M331-N335 PolarHBondContact O-N 2.82Å; M331-F372 HydrophobicContact CB-CE2 4.49Å; M331-F372 HydrophobicContact CB-CZ 4.41Å; M331-F372 HydrophobicContact CG-CD1 4.08Å; M331-F372 HydrophobicContact CG-CD2 4.33Å; M331-F372 HydrophobicContact CG-CE1 4.18Å; M331-F372 HydrophobicContact CG-CE2 4.44Å; M331-F372 HydrophobicContact CG-CG 4.14Å; M331-F372 HydrophobicContact CG-CZ 4.36Å; M331-F372 HydrophobicContact SD-CB 4.4Å; M331-F372 HydrophobicContact SD-CD2 4.39Å; M331-F372 HydrophobicContact SD-CG 4.24Å; M331-V409 HydrophobicContact CE-CB 4.5Å; M331-V409 HydrophobicContact CE-CG1 4.22Å; M331-V409 HydrophobicContact CE-CG2 3.72Å; M331-V409 HydrophobicContact SD-CG2 4.29Å; M331-F410 HydrophobicContact CB-CZ 3.88Å
332	T	97.1	Very high	95.9	Very high	78 Å²	78	16 Å²	16	48%	0.479	10%	0.102	S	C	.	.	H	α-helix	trans	-63.6	-45.1	176.8	-59.2	0	0	0	0	111.1	A328 Y330 N335 T336	A328-T332 WeakPolarHBondContact O-CB 3.42Å; A328-T332 PolarHBondContact O-N 3.36Å; A328-T332 PolarHBondContact O-OG1 3.33Å; Y330-T332 VanDerWaalsContact C-N 3.33Å; Y330-T332 PolarHBondContact O-N 3.41Å; T332-N335 WeakPolarHBondContact O-CB 3.36Å; T332-N335 PolarHBondContact O-N 3.39Å; T332-T336 PolarHBondContact O-N 3.04Å; T332-T336 PolarHBondContact O-OG1 3.42Å
333	R	97.8	Very high	96.3	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-64.6	-44.6	178	173.9	54	-179.7	-90.9	-0.3	112	L52 Q54 D117 D165 F166 A329 Y330 N335 T336 E337	L52-R333 PolarHBondContact O-NH1 3.18Å; Q54-R333 VanDerWaalsContact OE1-CD 3.26Å; D117-R333 PolarHBondContact O-NH2 3.03Å; D117-R333 IonicContact OD1-NH2 2.64Å; D165-R333 IonicContact OD2-CZ 2.87Å; D165-R333 IonicContact OD2-NH1 3.08Å; D165-R333 PolarHBondContact OD2-NH1 3.4Å; F166-R333 HydrophobicContact CD1-CB 4.28Å; F166-R333 HydrophobicContact CD1-CG 4.36Å; F166-R333 HydrophobicContact CE1-CB 3.77Å; F166-R333 HydrophobicContact CE1-CG 3.58Å; F166-R333 HydrophobicContact CZ-CG 4.44Å; A329-R333 WeakPolarHBondContact O-CB 3.29Å; A329-R333 PolarHBondContact O-N 3Å; Y330-R333 PolarHBondContact O-N 2.9Å; Y330-R333 VanDerWaalsContact O-N 3.17Å; R333-N335 VanDerWaalsContact C-N 3.29Å; R333-N335 PolarHBondContact O-N 3.25Å; R333-T336 WeakPolarHBondContact O-CA 3.46Å; R333-T336 WeakPolarHBondContact O-CB 3.48Å; R333-T336 PolarHBondContact O-N 3.27Å; R333-E337 IonicContact CZ-OE1 2.75Å; R333-E337 IonicContact NE-OE1 3.27Å; R333-E337 PolarHBondContact NE-OE1 2.97Å; R333-E337 IonicContact NH2-OE1 3.45Å; R333-E337 WeakPolarHBondContact O-CG 3.4Å; R333-E337 PolarHBondContact O-N 3.23Å
334	I	97.7	Very high	96.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.4	-38.6	176.3	-64.2	-52.9	0	0	0	111.2	F298 L299 M302 Y330 M331 T336 E337 F338 F372	F298-I334 HydrophobicContact CE1-CD1 4.22Å; F298-I334 HydrophobicContact CE1-CG1 4.38Å; F298-I334 HydrophobicContact CE1-CG2 3.71Å; F298-I334 HydrophobicContact CZ-CG2 4.16Å; L299-I334 HydrophobicContact CD1-CD1 4.04Å; M302-I334 HydrophobicContact CG-CD1 4.22Å; Y330-I334 HydrophobicContact CD1-CG1 4.08Å; Y330-I334 HydrophobicContact CD2-CD1 4.49Å; Y330-I334 HydrophobicContact CD2-CG1 4.15Å; Y330-I334 HydrophobicContact CE1-CG1 3.74Å; Y330-I334 HydrophobicContact CE2-CD1 3.89Å; Y330-I334 HydrophobicContact CE2-CG1 3.8Å; Y330-I334 HydrophobicContact CG-CG1 4.28Å; Y330-I334 WeakPolarHBondContact O-CG1 3.36Å; Y330-I334 PolarHBondContact O-N 2.72Å; M331-I334 PolarHBondContact O-N 3.17Å; I334-T336 VanDerWaalsContact C-N 3.31Å; I334-T336 PolarHBondContact O-N 2.88Å; I334-E337 WeakPolarHBondContact O-CA 3.34Å; I334-E337 WeakPolarHBondContact O-CB 3.41Å; I334-E337 PolarHBondContact O-N 2.88Å; I334-E337 VanDerWaalsContact O-N 3.08Å; I334-F338 HydrophobicContact CG2-CD2 4.26Å; I334-F338 HydrophobicContact CG2-CE1 3.94Å; I334-F338 HydrophobicContact CG2-CE2 3.54Å; I334-F338 HydrophobicContact CG2-CZ 3.35Å; I334-F338 WeakPolarHBondContact O-CG 3.47Å; I334-F338 PolarHBondContact O-N 2.65Å; I334-F372 HydrophobicContact CB-CE1 3.95Å; I334-F372 HydrophobicContact CB-CZ 3.83Å; I334-F372 HydrophobicContact CG1-CE1 4.46Å; I334-F372 HydrophobicContact CG2-CE1 3.69Å; I334-F372 HydrophobicContact CG2-CZ 3.62Å
335	N	98.1	Very high	96.8	Very high	8 Å²	8	12 Å²	12	4%	0.043	8%	0.078	C	C	.	.	H	α-helix	trans	-59.2	-41.2	171.6	-91.8	10.6	0	0	0	112.8	M331 T332 R333 E337 F338 M339 F372 S376 P377 Y378 F410	M331-N335 PolarHBondContact O-N 2.82Å; T332-N335 WeakPolarHBondContact O-CB 3.36Å; T332-N335 PolarHBondContact O-N 3.39Å; R333-N335 VanDerWaalsContact C-N 3.29Å; R333-N335 PolarHBondContact O-N 3.25Å; N335-E337 VanDerWaalsContact C-N 3.28Å; N335-E337 PolarHBondContact O-N 3.35Å; N335-F338 WeakPolarHBondContact O-CB 3.37Å; N335-F338 PolarHBondContact O-N 3.04Å; N335-F338 VanDerWaalsContact O-N 3.17Å; N335-M339 WeakPolarHBondContact O-CG 3.4Å; N335-M339 PolarHBondContact O-N 2.9Å; N335-F372 WeakPolarHBondContact OD1-CE2 3.33Å; N335-S376 WeakPolarHBondContact OD1-CB 3.49Å; N335-S376 PolarHBondContact OD1-OG 2.78Å; N335-P377 WeakPolarHBondContact ND2-CD 3.33Å; N335-Y378 HydrophobicContact CB-CD2 4.09Å; N335-Y378 HydrophobicContact CB-CE2 4.37Å; N335-F410 WeakPolarHBondContact ND2-CD1 3.31Å; N335-F410 WeakPolarHBondContact ND2-CE1 3.5Å; N335-F410 WeakPolarHBondContact ND2-CZ 3.46Å
336	T	98.6	Very high	97.2	Very high	8 Å²	8	11.1 Å²	11.1	5%	0.049	7%	0.072	C	C	.	.	H	α-helix	trans	-61.2	-38	173.6	-56.3	0	0	0	0	111.8	V57 L60 T332 R333 I334 M339 K340	V57-T336 HydrophobicContact CG1-CG2 3.98Å; V57-T336 HydrophobicContact CG2-CG2 4.21Å; L60-T336 HydrophobicContact CD2-CG2 3.78Å; T332-T336 PolarHBondContact O-N 3.04Å; T332-T336 PolarHBondContact O-OG1 3.42Å; R333-T336 WeakPolarHBondContact O-CA 3.46Å; R333-T336 WeakPolarHBondContact O-CB 3.48Å; R333-T336 PolarHBondContact O-N 3.27Å; I334-T336 VanDerWaalsContact C-N 3.31Å; I334-T336 PolarHBondContact O-N 2.88Å; T336-M339 HydrophobicContact CG2-CE 4.23Å; T336-M339 WeakPolarHBondContact O-CB 3.28Å; T336-M339 PolarHBondContact O-N 3.01Å; T336-K340 WeakPolarHBondContact O-CG 3.01Å; T336-K340 PolarHBondContact O-N 3.43Å
337	E	98.7	Very high	97.5	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.019	7%	0.071	C	C	.	.	H	α-helix	trans	-65.2	-37.1	173.7	-58.7	-54.2	133.3	0	0	112.6	Q54 F118 M302 S306 R333 I334 N335 K340 A341	Q54-E337 PolarHBondContact NE2-OE1 2.91Å; F118-E337 HydrophobicContact CE2-CG 4.21Å; F118-E337 HydrophobicContact CZ-CG 4.18Å; M302-E337 HydrophobicContact CG-CB 4.49Å; M302-E337 HydrophobicContact SD-CB 3.62Å; S306-E337 PolarHBondContact OG-OE2 2.83Å; R333-E337 IonicContact CZ-OE1 2.75Å; R333-E337 IonicContact NE-OE1 3.27Å; R333-E337 PolarHBondContact NE-OE1 2.97Å; R333-E337 IonicContact NH2-OE1 3.45Å; R333-E337 WeakPolarHBondContact O-CG 3.4Å; R333-E337 PolarHBondContact O-N 3.23Å; I334-E337 WeakPolarHBondContact O-CA 3.34Å; I334-E337 WeakPolarHBondContact O-CB 3.41Å; I334-E337 PolarHBondContact O-N 2.88Å; I334-E337 VanDerWaalsContact O-N 3.08Å; N335-E337 VanDerWaalsContact C-N 3.28Å; N335-E337 PolarHBondContact O-N 3.35Å; E337-K340 WeakPolarHBondContact O-CB 3.5Å; E337-K340 PolarHBondContact O-N 2.86Å; E337-K340 IonicContact OE1-NZ 2.63Å; E337-K340 PolarHBondContact OE1-NZ 3.35Å; E337-K340 WeakPolarHBondContact OE2-CE 3.42Å; E337-K340 IonicContact OE2-NZ 3.98Å; E337-K340 PolarHBondContact OE2-NZ 2.87Å; E337-A341 PolarHBondContact O-N 3.41Å
338	F	98.8	Very high	97.7	Very high	1 Å²	1	11.2 Å²	11.2	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-65.6	-38.5	170.9	-58.6	-33.8	0	0	0	112.4	F298 M302 I334 N335 K340 A341 G342 L348 F350 F372 P373 S376 V379	F298-F338 AromaticContact CZ-CE1 3.96Å; F298-F338 HydrophobicContact CZ-CE1 3.96Å; F298-F338 AromaticContact CZ-CZ 3.8Å; F298-F338 HydrophobicContact CZ-CZ 3.8Å; M302-F338 HydrophobicContact CE-CD1 4.18Å; M302-F338 HydrophobicContact CE-CE1 3.79Å; M302-F338 HydrophobicContact SD-CD1 4.02Å; M302-F338 HydrophobicContact SD-CE1 3.84Å; I334-F338 HydrophobicContact CG2-CD2 4.26Å; I334-F338 HydrophobicContact CG2-CE1 3.94Å; I334-F338 HydrophobicContact CG2-CE2 3.54Å; I334-F338 HydrophobicContact CG2-CZ 3.35Å; I334-F338 WeakPolarHBondContact O-CG 3.47Å; I334-F338 PolarHBondContact O-N 2.65Å; N335-F338 WeakPolarHBondContact O-CB 3.37Å; N335-F338 PolarHBondContact O-N 3.04Å; N335-F338 VanDerWaalsContact O-N 3.17Å; F338-K340 VanDerWaalsContact C-N 3.33Å; F338-K340 PolarHBondContact O-N 3.17Å; F338-A341 WeakPolarHBondContact O-CB 3.48Å; F338-A341 PolarHBondContact O-N 2.95Å; F338-G342 PolarHBondContact O-N 3.24Å; F338-L348 HydrophobicContact CB-CD1 4.44Å; F338-L348 HydrophobicContact CD1-CD1 3.56Å; F338-L348 HydrophobicContact CE1-CD1 4.25Å; F338-L348 HydrophobicContact CG-CD1 4.34Å; F338-F350 AromaticContact CE1-CE2 3.89Å; F338-F350 HydrophobicContact CE1-CE2 3.89Å; F338-F350 AromaticContact CE1-CZ 3.75Å; F338-F350 HydrophobicContact CE1-CZ 3.75Å; F338-F350 AromaticContact CZ-CE2 3.98Å; F338-F350 HydrophobicContact CZ-CE2 3.98Å; F338-F350 AromaticContact CZ-CZ 3.76Å; F338-F350 HydrophobicContact CZ-CZ 3.76Å; F338-F372 HydrophobicContact CE2-CE2 4.44Å; F338-F372 HydrophobicContact CE2-CZ 4.02Å; F338-P373 HydrophobicContact CE2-CB 3.7Å; F338-P373 HydrophobicContact CE2-CG 4.31Å; F338-P373 HydrophobicContact CZ-CB 3.55Å; F338-P373 HydrophobicContact CZ-CG 3.8Å; F338-S376 WeakPolarHBondContact CD2-OG 3.09Å; F338-V379 HydrophobicContact CB-CG1 4.19Å; F338-V379 HydrophobicContact CD1-CG1 4.11Å; F338-V379 HydrophobicContact CD2-CG1 3.6Å; F338-V379 HydrophobicContact CE1-CG1 4.36Å; F338-V379 HydrophobicContact CE2-CG1 3.89Å; F338-V379 HydrophobicContact CG-CG1 3.71Å; F338-V379 HydrophobicContact CZ-CG1 4.25Å
339	M	98.8	Very high	98	Very high	5 Å²	5	9.2 Å²	9.2	3%	0.025	6%	0.056	C	C	.	.	H	α-helix	trans	-61.2	-42.9	173.3	-67.3	-166.2	-74.1	0	0	111.4	V57 L60 E61 L64 N335 T336 A341 G342 V343 Y378	V57-M339 HydrophobicContact CG1-CE 3.75Å; L60-M339 HydrophobicContact CD2-CB 3.69Å; L60-M339 HydrophobicContact CD2-CE 4.2Å; L60-M339 HydrophobicContact CG-CB 4.01Å; E61-M339 HydrophobicContact CB-CE 4.48Å; E61-M339 HydrophobicContact CB-SD 3.64Å; E61-M339 HydrophobicContact CG-SD 3.95Å; L64-M339 HydrophobicContact CD2-CB 4.11Å; L64-M339 HydrophobicContact CD2-CG 3.84Å; N335-M339 WeakPolarHBondContact O-CG 3.4Å; N335-M339 PolarHBondContact O-N 2.9Å; T336-M339 HydrophobicContact CG2-CE 4.23Å; T336-M339 WeakPolarHBondContact O-CB 3.28Å; T336-M339 PolarHBondContact O-N 3.01Å; M339-A341 VanDerWaalsContact C-N 3.31Å; M339-A341 PolarHBondContact O-N 2.97Å; M339-G342 PolarHBondContact O-N 2.63Å; M339-V343 PolarHBondContact O-N 2.92Å; M339-Y378 HydrophobicContact CE-CE2 4.29Å; M339-Y378 HydrophobicContact CG-CD1 3.87Å; M339-Y378 HydrophobicContact CG-CD2 3.44Å; M339-Y378 VanDerWaalsContact CG-CD2 3.44Å; M339-Y378 HydrophobicContact CG-CE1 3.94Å; M339-Y378 HydrophobicContact CG-CE2 3.51Å; M339-Y378 HydrophobicContact CG-CG 3.62Å; M339-Y378 HydrophobicContact SD-CD2 4.14Å; M339-Y378 HydrophobicContact SD-CE1 3.98Å; M339-Y378 HydrophobicContact SD-CE2 3.54Å; M339-Y378 VanDerWaalsContact SD-CE2 3.54Å
340	K	98.8	Very high	98.2	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.017	4%	0.043	C	C	.	.	H	α-helix	trans	-59.2	-39.9	174.3	-71.2	167.5	56.4	-172.6	0	112.1	L60 V84 V88 T115 D117 S306 T336 E337 F338 V343 R344	L60-K340 HydrophobicContact CD1-CG 4.34Å; L60-K340 HydrophobicContact CD2-CG 3.82Å; V84-K340 HydrophobicContact CG1-CB 4.03Å; V84-K340 HydrophobicContact CG1-CD 4.41Å; V84-K340 HydrophobicContact CG1-CG 3.8Å; V88-K340 HydrophobicContact CG2-CD 4.06Å; T115-K340 PolarHBondContact OG1-NZ 3.42Å; D117-K340 IonicContact OD1-NZ 3.36Å; D117-K340 IonicContact OD2-NZ 3.73Å; D117-K340 PolarHBondContact OD2-NZ 3.37Å; S306-K340 WeakPolarHBondContact OG-CE 3.37Å; S306-K340 PolarHBondContact OG-NZ 3.19Å; T336-K340 WeakPolarHBondContact O-CG 3.01Å; T336-K340 PolarHBondContact O-N 3.43Å; E337-K340 WeakPolarHBondContact O-CB 3.5Å; E337-K340 PolarHBondContact O-N 2.86Å; E337-K340 IonicContact OE1-NZ 2.63Å; E337-K340 PolarHBondContact OE1-NZ 3.35Å; E337-K340 WeakPolarHBondContact OE2-CE 3.42Å; E337-K340 IonicContact OE2-NZ 3.98Å; E337-K340 PolarHBondContact OE2-NZ 2.87Å; F338-K340 VanDerWaalsContact C-N 3.33Å; F338-K340 PolarHBondContact O-N 3.17Å; K340-V343 VanDerWaalsContact O-CG2 3.25Å; K340-V343 WeakPolarHBondContact O-CG2 3.42Å; K340-R344 WeakPolarHBondContact O-CD 3.23Å; K340-R344 VanDerWaalsContact O-CG 3.23Å; K340-R344 WeakPolarHBondContact O-CG 3.47Å
341	A	98.6	Very high	98.3	Very high	4 Å²	4	7.9 Å²	7.9	3%	0.033	5%	0.045	C	C	.	.	H	α-helix	trans	-67.2	-44.1	174.2	0	0	0	0	0	111.9	E337 F338 M339 R344 G345 L346 L348	E337-A341 PolarHBondContact O-N 3.41Å; F338-A341 WeakPolarHBondContact O-CB 3.48Å; F338-A341 PolarHBondContact O-N 2.95Å; M339-A341 VanDerWaalsContact C-N 3.31Å; M339-A341 PolarHBondContact O-N 2.97Å; A341-R344 WeakPolarHBondContact O-CB 3.49Å; A341-R344 PolarHBondContact O-N 3.2Å; A341-R344 VanDerWaalsContact O-N 3.14Å; A341-G345 PolarHBondContact O-N 3.07Å; A341-L346 HydrophobicContact CB-CB 4.26Å; A341-L346 HydrophobicContact CB-CD1 4.04Å; A341-L346 WeakPolarHBondContact O-CB 3.41Å; A341-L346 PolarHBondContact O-N 3.33Å; A341-L346 VanDerWaalsContact O-N 3.14Å; A341-L348 HydrophobicContact CB-CD1 3.65Å; A341-L348 HydrophobicContact CB-CD2 4.46Å; A341-L348 HydrophobicContact CB-CG 4.13Å
342	G	98.3	Very high	98.4	Very high	3 Å²	3	7.7 Å²	7.7	3%	0.031	4%	0.044	C	C	.	.	H	α-helix	trans	-62.9	-42.9	-179.8	0	0	0	0	0	113.3	F338 M339 R344 G345	F338-G342 PolarHBondContact O-N 3.24Å; M339-G342 PolarHBondContact O-N 2.63Å; G342-R344 PolarHBondContact O-N 3.35Å; G342-G345 PolarHBondContact O-N 3.33Å
343	V	98.6	Very high	98.3	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-65.9	-20.8	176.8	-63.7	0	0	0	0	112.6	L60 T63 L64 H78 L79 V84 M339 K340 G345	L60-V343 HydrophobicContact CD1-CB 4.45Å; L60-V343 HydrophobicContact CD1-CG1 3.85Å; L60-V343 HydrophobicContact CD1-CG2 3.76Å; T63-V343 HydrophobicContact CG2-CG1 4.05Å; L64-V343 HydrophobicContact CB-CG1 3.71Å; L64-V343 HydrophobicContact CD1-CG1 4.15Å; H78-V343 CarbonylContact C-O 3.56Å; H78-V343 VanDerWaalsContact CA-O 3.26Å; H78-V343 WeakPolarHBondContact CA-O 3.47Å; H78-V343 WeakPolarHBondContact CB-O 3.43Å; L79-V343 PolarHBondContact N-O 3.08Å; V84-V343 HydrophobicContact CG2-CG2 3.58Å; M339-V343 PolarHBondContact O-N 2.92Å; K340-V343 VanDerWaalsContact O-CG2 3.25Å; K340-V343 WeakPolarHBondContact O-CG2 3.42Å; V343-G345 VanDerWaalsContact C-N 3.28Å
344	R	98.5	Very high	98.2	Very high	20 Å²	20	6.3 Å²	6.3	8%	0.075	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	1.5	174.5	-65.3	173.2	61	-165.4	1.1	113.3	L79 V84 L305 M308 S309 K340 A341 G342 L346	L79-R344 WeakPolarHBondContact O-CA 3.28Å; L79-R344 WeakPolarHBondContact O-CG 3.44Å; V84-R344 HydrophobicContact CG2-CG 3.71Å; L305-R344 PolarHBondContact O-NH1 3.44Å; M308-R344 PolarHBondContact O-NH2 3.01Å; S309-R344 PolarHBondContact O-NH2 2.98Å; S309-R344 VanDerWaalsContact O-NH2 3.12Å; K340-R344 WeakPolarHBondContact O-CD 3.23Å; K340-R344 VanDerWaalsContact O-CG 3.23Å; K340-R344 WeakPolarHBondContact O-CG 3.47Å; A341-R344 WeakPolarHBondContact O-CB 3.49Å; A341-R344 PolarHBondContact O-N 3.2Å; A341-R344 VanDerWaalsContact O-N 3.14Å; G342-R344 PolarHBondContact O-N 3.35Å; R344-L346 HydrophobicContact CB-CG 4.31Å
345	G	98	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	19.4	179.7	0	0	0	0	0	114.5	H78 A341 G342 V343 G496	H78-G345 WeakPolarHBondContact CD2-CA 3.32Å; H78-G345 VanDerWaalsContact CE1-CA 3.48Å; H78-G345 WeakPolarHBondContact CE1-CA 3.36Å; H78-G345 WeakPolarHBondContact ND1-CA 3.2Å; H78-G345 WeakPolarHBondContact NE2-CA 3.48Å; A341-G345 PolarHBondContact O-N 3.07Å; G342-G345 PolarHBondContact O-N 3.33Å; V343-G345 VanDerWaalsContact C-N 3.28Å; G345-G496 VanDerWaalsContact C-CA 3.42Å; G345-G496 WeakPolarHBondContact O-CA 3.24Å
346	L	98.7	Very high	98	Very high	6 Å²	6	8.7 Å²	8.7	3%	0.031	6%	0.056	C	C	.	.			trans	-83.1	134.4	173.7	-51.6	-178.2	0	0	0	110.1	L311 P312 A341 R344 L348 G496	L311-L346 HydrophobicContact CB-CD1 4.46Å; L311-L346 HydrophobicContact CB-CD2 4.18Å; L311-L346 HydrophobicContact CD1-CD1 3.78Å; P312-L346 WeakPolarHBondContact O-CD2 3.45Å; A341-L346 HydrophobicContact CB-CB 4.26Å; A341-L346 HydrophobicContact CB-CD1 4.04Å; A341-L346 WeakPolarHBondContact O-CB 3.41Å; A341-L346 PolarHBondContact O-N 3.33Å; A341-L346 VanDerWaalsContact O-N 3.14Å; R344-L346 HydrophobicContact CB-CG 4.31Å; L346-L348 HydrophobicContact CB-CD2 4.47Å; L346-G496 CarbonylContact O-C 3.49Å
347	S	98.8	Very high	98	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.007	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110.6	168.6	-57.5	0	0	0	0	108.8	W313 V314 H315 G496	W313-S347 PolarHBondContact O-N 3.36Å; V314-S347 WeakPolarHBondContact CA-O 3.49Å; H315-S347 PolarHBondContact N-O 3.15Å; S347-G496 WeakPolarHBondContact CA-O 3.27Å; S347-G496 WeakPolarHBondContact CB-O 3.22Å; S347-G496 PolarHBondContact OG-N 2.89Å; S347-G496 PolarHBondContact OG-O 2.9Å
348	L	98.8	Very high	97.9	Very high	7 Å²	7	8.7 Å²	8.7	4%	0.037	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.8	174.2	-56.8	-173.4	0	0	0	109.7	W301 H315 F338 A341 L346 F350 V379 T380	W301-L348 HydrophobicContact CH2-CD2 4.21Å; W301-L348 HydrophobicContact CZ2-CD2 4.33Å; H315-L348 HydrophobicContact CB-CD2 3.73Å; F338-L348 HydrophobicContact CB-CD1 4.44Å; F338-L348 HydrophobicContact CD1-CD1 3.56Å; F338-L348 HydrophobicContact CE1-CD1 4.25Å; F338-L348 HydrophobicContact CG-CD1 4.34Å; A341-L348 HydrophobicContact CB-CD1 3.65Å; A341-L348 HydrophobicContact CB-CD2 4.46Å; A341-L348 HydrophobicContact CB-CG 4.13Å; L346-L348 HydrophobicContact CB-CD2 4.47Å; L348-F350 HydrophobicContact CB-CE2 4.21Å; L348-V379 HydrophobicContact CB-CG1 4.33Å; L348-T380 PolarHBondContact O-N 2.93Å
349	L	98.9	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.5	178.6	-65.1	87	0	0	0	110.6	V314 H315 T316 I317 T380 V382 T473 V476 L480	V314-L349 HydrophobicContact CG1-CD1 3.59Å; H315-L349 PolarHBondContact O-N 3.42Å; T316-L349 HydrophobicContact CG2-CB 4.33Å; I317-L349 VanDerWaalsContact CD1-O 3.3Å; I317-L349 WeakPolarHBondContact CD1-O 3.4Å; I317-L349 PolarHBondContact N-O 3.02Å; L349-T380 CarbonylContact C-O 3.54Å; L349-T380 WeakPolarHBondContact CA-O 3.3Å; L349-V382 HydrophobicContact CB-CG2 4.32Å; L349-V382 HydrophobicContact CD2-CG2 3.91Å; L349-T473 HydrophobicContact CB-CG2 3.84Å; L349-V476 HydrophobicContact CD2-CB 4.1Å; L349-V476 HydrophobicContact CD2-CG1 3.7Å; L349-L480 HydrophobicContact CD1-CD1 4.25Å; L349-L480 HydrophobicContact CD2-CD1 3.88Å; L349-L480 HydrophobicContact CG-CD1 4.49Å
350	F	98.4	Very high	97.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138	179.6	-80.1	-95.9	0	0	0	111.6	F298 W301 I317 F338 L348 S352 P373 V379 T380 T381 V382	F298-F350 AromaticContact CE2-CE1 3.7Å; F298-F350 HydrophobicContact CE2-CE1 3.7Å; F298-F350 AromaticContact CE2-CZ 3.81Å; F298-F350 HydrophobicContact CE2-CZ 3.81Å; F298-F350 HydrophobicContact CZ-CE1 4.22Å; F298-F350 HydrophobicContact CZ-CZ 4.05Å; W301-F350 HydrophobicContact CH2-CZ 4.29Å; W301-F350 AromaticContact CZ3-CZ 3.95Å; W301-F350 HydrophobicContact CZ3-CZ 3.95Å; I317-F350 HydrophobicContact CB-CD1 3.77Å; I317-F350 HydrophobicContact CB-CE1 3.65Å; I317-F350 HydrophobicContact CB-CE2 4.44Å; I317-F350 HydrophobicContact CB-CG 4.24Å; I317-F350 HydrophobicContact CB-CZ 4.02Å; I317-F350 HydrophobicContact CD1-CD2 4.29Å; I317-F350 HydrophobicContact CD1-CE2 3.94Å; I317-F350 HydrophobicContact CD1-CZ 4.11Å; I317-F350 HydrophobicContact CG1-CE1 4.28Å; I317-F350 HydrophobicContact CG1-CE2 4.47Å; I317-F350 HydrophobicContact CG1-CZ 4.16Å; I317-F350 HydrophobicContact CG2-CD1 3.72Å; I317-F350 HydrophobicContact CG2-CE1 3.33Å; I317-F350 HydrophobicContact CG2-CZ 4Å; I317-F350 WeakPolarHBondContact O-CA 3.47Å; F338-F350 AromaticContact CE1-CE2 3.89Å; F338-F350 HydrophobicContact CE1-CE2 3.89Å; F338-F350 AromaticContact CE1-CZ 3.75Å; F338-F350 HydrophobicContact CE1-CZ 3.75Å; F338-F350 AromaticContact CZ-CE2 3.98Å; F338-F350 HydrophobicContact CZ-CE2 3.98Å; F338-F350 AromaticContact CZ-CZ 3.76Å; F338-F350 HydrophobicContact CZ-CZ 3.76Å; L348-F350 HydrophobicContact CB-CE2 4.21Å; F350-S352 PolarHBondContact O-N 2.83Å; F350-P373 HydrophobicContact CD1-CB 3.75Å; F350-P373 HydrophobicContact CD1-CG 3.96Å; F350-P373 HydrophobicContact CD2-CB 4.36Å; F350-P373 HydrophobicContact CE1-CB 3.64Å; F350-P373 HydrophobicContact CE1-CG 3.49Å; F350-P373 VanDerWaalsContact CE1-CG 3.49Å; F350-P373 HydrophobicContact CE2-CB 4.25Å; F350-P373 HydrophobicContact CG-CB 4.11Å; F350-P373 HydrophobicContact CZ-CB 3.89Å; F350-P373 HydrophobicContact CZ-CG 3.96Å; F350-V379 HydrophobicContact CB-CG2 4.49Å; F350-V379 HydrophobicContact CD2-CB 3.75Å; F350-V379 HydrophobicContact CD2-CG1 3.75Å; F350-V379 HydrophobicContact CD2-CG2 3.97Å; F350-V379 HydrophobicContact CE2-CB 4.23Å; F350-V379 HydrophobicContact CE2-CG1 3.71Å; F350-T380 PolarHBondContact N-O 3.2Å; F350-T381 CarbonylContact O-C 3.56Å; F350-T381 WeakPolarHBondContact O-CA 3.37Å; F350-V382 PolarHBondContact O-N 3.46Å
351	A	97.8	Very high	97.1	Very high	8 Å²	8	20.8 Å²	20.8	7%	0.066	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	132.8	167.6	0	0	0	0	0	110.3	I317 G353 T473	I317-A351 PolarHBondContact O-N 3.07Å; I317-A351 VanDerWaalsContact O-N 3.08Å; A351-G353 PolarHBondContact O-N 3.07Å; A351-T473 WeakPolarHBondContact CA-OG1 3.41Å; A351-T473 WeakPolarHBondContact CB-OG1 3.42Å; A351-T473 PolarHBondContact N-OG1 3.31Å
352	S	98.4	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.			trans	-73.8	-16.5	-177.3	75.7	0	0	0	0	113.9	F350 V382 G383 G403	F350-S352 PolarHBondContact O-N 2.83Å; S352-V382 WeakPolarHBondContact CB-O 3.38Å; S352-V382 PolarHBondContact N-O 2.85Å; S352-V382 PolarHBondContact OG-O 2.99Å; S352-G383 WeakPolarHBondContact OG-CA 3.48Å; S352-G403 WeakPolarHBondContact CB-O 3.34Å; S352-G403 WeakPolarHBondContact O-CA 3.44Å; S352-G403 VanDerWaalsContact OG-C 3.3Å; S352-G403 VanDerWaalsContact OG-CA 3.28Å; S352-G403 WeakPolarHBondContact OG-CA 3.16Å; S352-G403 PolarHBondContact OG-N 2.91Å; S352-G403 VanDerWaalsContact OG-N 3.14Å; S352-G403 PolarHBondContact OG-O 3.27Å
353	G	94.9	Very high	95.6	Very high	17 Å²	17	28.2 Å²	28.2	18%	0.175	17%	0.171	C	C	.	.			trans	109.5	163.7	-178.7	0	0	0	0	0	112.7	A351 G403 T469	A351-G353 PolarHBondContact O-N 3.07Å; G353-G403 WeakPolarHBondContact O-CA 3.37Å; G353-G403 PolarHBondContact O-N 2.64Å; G353-T469 WeakPolarHBondContact CA-OG1 3.47Å; G353-T469 PolarHBondContact N-OG1 3.26Å; G353-T469 WeakPolarHBondContact O-CG2 3Å; G353-T469 PolarHBondContact O-OG1 2.89Å
354	D	95.1	Very high	94.7	Very high	37 Å²	37	38.3 Å²	38.3	20%	0.198	22%	0.215	C	C	.	.	S	Bend	trans	-116.3	30.1	-171.7	-57.6	-24.6	0	0	0	112.7	I401 G468 T469	D354-I401 CarbonylContact C-O 3.6Å; D354-I401 VanDerWaalsContact CA-O 3.23Å; D354-I401 WeakPolarHBondContact CA-O 3.2Å; D354-I401 HydrophobicContact CB-CB 4.33Å; D354-I401 HydrophobicContact CB-CD1 4.24Å; D354-G468 WeakPolarHBondContact OD1-CA 3.3Å; D354-T469 PolarHBondContact OD1-N 2.95Å; D354-T469 PolarHBondContact OD1-OG1 2.71Å
355	S	95.6	Very high	94.2	Very high	54 Å²	54	43.4 Å²	43.4	38%	0.378	24%	0.239	S	C	.	.	S	Bend	trans	-132.4	23.5	-173.3	-55.2	0	0	0	0	112.4	K178 A357 G358 I401	K178-S355 PolarHBondContact NZ-OG 2.56Å; S355-A357 PolarHBondContact O-N 3Å; S355-G358 WeakPolarHBondContact O-CA 3.42Å; S355-G358 PolarHBondContact O-N 3.05Å; S355-I401 PolarHBondContact N-O 3.37Å; S355-I401 VanDerWaalsContact N-O 3.1Å
356	G	97.9	Very high	94.1	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-132.5	-177.2	0	0	0	0	0	112	G358 I401 S402 G403 G404 L519	G356-G358 PolarHBondContact O-N 3.27Å; G356-I401 PolarHBondContact N-O 3.03Å; G356-S402 WeakPolarHBondContact CA-O 3.05Å; G356-G403 WeakPolarHBondContact O-CA 3.22Å; G356-G404 PolarHBondContact O-N 2.92Å; G356-L519 CarbonylContact C-O 3.36Å; G356-L519 WeakPolarHBondContact CA-O 3.27Å
357	A	98.1	Very high	94	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-7.3	172.4	0	0	0	0	0	113.4	S355 F368 R369 G404 H518 L519 F531	S355-A357 PolarHBondContact O-N 3Å; A357-F368 HydrophobicContact CB-CB 3.97Å; A357-F368 HydrophobicContact CB-CD1 3.61Å; A357-F368 HydrophobicContact CB-CD2 3.78Å; A357-F368 HydrophobicContact CB-CE1 3.97Å; A357-F368 HydrophobicContact CB-CE2 4.13Å; A357-F368 HydrophobicContact CB-CG 3.52Å; A357-F368 HydrophobicContact CB-CZ 4.23Å; A357-F368 WeakPolarHBondContact O-CB 3.09Å; A357-R369 CarbonylContact O-C 3.44Å; A357-R369 PolarHBondContact O-N 3.37Å; A357-G404 WeakPolarHBondContact CA-O 3.29Å; A357-H518 WeakPolarHBondContact CB-NE2 3.43Å; A357-H518 PolarHBondContact N-CE1 2.99Å; A357-H518 VanDerWaalsContact N-CE1 3.34Å; A357-H518 PolarHBondContact N-NE2 3.12Å; A357-L519 PolarHBondContact N-O 3.44Å; A357-F531 HydrophobicContact CB-CD2 4.24Å; A357-F531 HydrophobicContact CB-CE2 4.26Å
358	G	96.3	Very high	94	Very high	11 Å²	11	45.8 Å²	45.8	11%	0.113	25%	0.253	C	S	.	.			trans	69.1	174.7	-169.9	0	0	0	0	0	112.2	S355 G356	S355-G358 WeakPolarHBondContact O-CA 3.42Å; S355-G358 PolarHBondContact O-N 3.05Å; G356-G358 PolarHBondContact O-N 3.27Å
359	C	95.7	Very high	93.9	Very high	36 Å²	36	48.2 Å²	48.2	24%	0.243	26%	0.261	C	S	.	.			trans	-144.9	126.1	173.4	-169.2	0	0	0	0	111.1	H361 C521	C359-H361 VanDerWaalsContact SG-CE1 3.52Å; C359-C521 WeakPolarHBondContact CA-SG 2.88Å; C359-C521 HydrophobicContact CB-CB 3.96Å; C359-C521 WeakPolarHBondContact CB-SG 3.24Å; C359-C521 WeakPolarHBondContact SG-CA 2.85Å; C359-C521 WeakPolarHBondContact SG-CB 3.38Å; C359-C521 CovalentContact SG-SG 2.04Å; C359-C521 PolarHBondContact SG-SG 3.2Å
360	R	93.4	Very high	93.8	Very high	93 Å²	93	48.5 Å²	48.5	35%	0.351	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.5	172.3	-174.2	179.4	-178.6	-169.4	1.3	109.2	D324 L362 N366 T367 R369	D324-R360 IonicContact OD2-CZ 3.8Å; D324-R360 IonicContact OD2-NE 3.39Å; D324-R360 PolarHBondContact OD2-NE 2.83Å; R360-L362 HydrophobicContact CG-CD2 4.24Å; R360-L362 HydrophobicContact CG-CG 4.26Å; R360-N366 WeakPolarHBondContact O-CA 3.2Å; R360-T367 HydrophobicContact CB-CG2 3.91Å; R360-T367 HydrophobicContact CG-CG2 4.46Å; R360-T367 PolarHBondContact N-O 2.97Å; R360-T367 PolarHBondContact O-N 3.33Å; R360-T367 VanDerWaalsContact O-N 3.09Å; R360-R369 HydrophobicContact CB-CB 4.13Å; R360-R369 HydrophobicContact CB-CG 4.06Å
361	H	89.8	Confident	93.7	Very high	135 Å²	135	49.5 Å²	49.5	63%	0.625	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.4	177.5	-62.2	-62.5	0	0	0	110.7	C359 N366	C359-H361 VanDerWaalsContact SG-CE1 3.52Å; H361-N366 PolarHBondContact ND1-OD1 3.29Å
362	L	83.4	Confident	93.6	Very high	86 Å²	86	49.2 Å²	49.2	45%	0.45	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	61.9	178.8	-64.3	175.6	0	0	0	109.8	R360 K364 E365 T367	R360-L362 HydrophobicContact CG-CD2 4.24Å; R360-L362 HydrophobicContact CG-CG 4.26Å; L362-K364 PolarHBondContact O-N 3.26Å; L362-K364 VanDerWaalsContact O-N 3.09Å; L362-E365 CarbonylContact C-O 3.46Å; L362-E365 VanDerWaalsContact CA-O 3.31Å; L362-E365 WeakPolarHBondContact CA-O 3.43Å; L362-E365 WeakPolarHBondContact CB-O 3.41Å; L362-E365 PolarHBondContact N-O 2.72Å; L362-E365 PolarHBondContact O-N 3.04Å; L362-T367 HydrophobicContact CD1-CG2 4.04Å
363	G	82.6	Confident	93.5	Very high	78 Å²	78	49.2 Å²	49.2	80%	0.804	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-105	-177.4	0	0	0	0	0	112.1
364	K	79.5	Confident	93.7	Very high	212 Å²	212	48.5 Å²	48.5	92%	0.922	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.1	178.8	-67.5	-173.6	179.7	-178.5	0	113.7	L362	L362-K364 PolarHBondContact O-N 3.26Å; L362-K364 VanDerWaalsContact O-N 3.09Å
365	E	88.9	Confident	93.8	Very high	126 Å²	126	46.7 Å²	46.7	59%	0.589	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.1	-179.9	-62.4	-169.4	161.8	0	0	110.3	L362	L362-E365 CarbonylContact C-O 3.46Å; L362-E365 VanDerWaalsContact CA-O 3.31Å; L362-E365 WeakPolarHBondContact CA-O 3.43Å; L362-E365 WeakPolarHBondContact CB-O 3.41Å; L362-E365 PolarHBondContact N-O 2.72Å; L362-E365 PolarHBondContact O-N 3.04Å
366	N	94.9	Very high	94	Very high	27 Å²	27	44.1 Å²	44.1	14%	0.144	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.3	174.4	-66.5	-29.5	0	0	0	108.9	R360 H361 Y436 C521 D523	R360-N366 WeakPolarHBondContact O-CA 3.2Å; H361-N366 PolarHBondContact ND1-OD1 3.29Å; N366-Y436 HydrophobicContact CB-CE1 3.9Å; N366-C521 HydrophobicContact CB-CB 4.3Å; N366-D523 WeakPolarHBondContact CB-OD2 3.45Å; N366-D523 WeakPolarHBondContact ND2-CB 3.33Å; N366-D523 PolarHBondContact ND2-OD2 2.99Å
367	T	96.8	Very high	94	Very high	22 Å²	22	44.4 Å²	44.4	14%	0.135	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.8	173.6	-165	0	0	0	0	109.7	R360 L362 S435 Y436	R360-T367 HydrophobicContact CB-CG2 3.91Å; R360-T367 HydrophobicContact CG-CG2 4.46Å; R360-T367 PolarHBondContact N-O 2.97Å; R360-T367 PolarHBondContact O-N 3.33Å; R360-T367 VanDerWaalsContact O-N 3.09Å; L362-T367 HydrophobicContact CD1-CG2 4.04Å; T367-S435 PolarHBondContact OG1-O 2.95Å; T367-Y436 VanDerWaalsContact OG1-C 3.28Å; T367-Y436 WeakPolarHBondContact OG1-CA 3.39Å; T367-Y436 PolarHBondContact OG1-O 3.27Å
368	F	98.2	Very high	94.1	Very high	8 Å²	8	46 Å²	46	4%	0.035	24%	0.24	C	C	.	.			trans	-68.9	154.5	173.4	-62.8	-30.5	0	0	0	110.6	A357 P432 Y436 F437 V526 F531	A357-F368 HydrophobicContact CB-CB 3.97Å; A357-F368 HydrophobicContact CB-CD1 3.61Å; A357-F368 HydrophobicContact CB-CD2 3.78Å; A357-F368 HydrophobicContact CB-CE1 3.97Å; A357-F368 HydrophobicContact CB-CE2 4.13Å; A357-F368 HydrophobicContact CB-CG 3.52Å; A357-F368 HydrophobicContact CB-CZ 4.23Å; A357-F368 WeakPolarHBondContact O-CB 3.09Å; F368-P432 HydrophobicContact CE2-CB 3.52Å; F368-P432 HydrophobicContact CE2-CG 3.64Å; F368-P432 HydrophobicContact CZ-CB 3.67Å; F368-P432 HydrophobicContact CZ-CG 3.83Å; F368-Y436 WeakPolarHBondContact CB-O 3.25Å; F368-Y436 AromaticContact CD1-CD1 3.78Å; F368-Y436 HydrophobicContact CD1-CD1 3.78Å; F368-Y436 AromaticContact CE1-CD1 3.63Å; F368-Y436 HydrophobicContact CE1-CD1 3.63Å; F368-Y436 HydrophobicContact CE1-CE1 4.43Å; F368-Y436 HydrophobicContact CE1-CG 4.33Å; F368-Y436 HydrophobicContact CG-CD1 4.37Å; F368-Y436 WeakPolarHBondContact CG-O 3.25Å; F368-Y436 HydrophobicContact CZ-CD1 4.1Å; F368-Y436 HydrophobicContact CZ-CG 4.38Å; F368-Y436 PolarHBondContact N-O 3.37Å; F368-F437 HydrophobicContact CD2-CB 4.15Å; F368-V526 HydrophobicContact CE1-CG2 4.25Å; F368-V526 HydrophobicContact CZ-CG1 4.48Å; F368-F531 HydrophobicContact CD2-CD2 4.48Å; F368-F531 AromaticContact CD2-CE2 3.61Å; F368-F531 HydrophobicContact CD2-CE2 3.61Å; F368-F531 AromaticContact CD2-CZ 3.7Å; F368-F531 HydrophobicContact CD2-CZ 3.7Å; F368-F531 HydrophobicContact CE2-CD2 4.4Å; F368-F531 HydrophobicContact CE2-CE1 4.33Å; F368-F531 AromaticContact CE2-CE2 3.84Å; F368-F531 HydrophobicContact CE2-CE2 3.84Å; F368-F531 AromaticContact CE2-CZ 3.8Å; F368-F531 HydrophobicContact CE2-CZ 3.8Å
369	R	97.4	Very high	94.2	Very high	59 Å²	59	45.6 Å²	45.6	22%	0.223	24%	0.235	C	C	.	.			trans	-127.3	88	-167	-160.1	177.6	-163.4	-150.2	-10.4	109.5	D322 D324 A357 R360	D322-R369 HydrophobicContact CB-CG 4.32Å; D322-R369 IonicContact OD1-CZ 3.75Å; D322-R369 IonicContact OD1-NE 3.98Å; D322-R369 IonicContact OD1-NH1 3.69Å; D322-R369 IonicContact OD2-CZ 3.75Å; D322-R369 IonicContact OD2-NE 3.53Å; D322-R369 IonicContact OD2-NH1 3.3Å; D322-R369 PolarHBondContact OD2-NH1 2.85Å; D322-R369 IonicContact OD2-NH2 3.36Å; D322-R369 PolarHBondContact OD2-NH2 3.32Å; D324-R369 WeakPolarHBondContact OD1-CG 2.95Å; D324-R369 IonicContact OD1-CZ 2.63Å; D324-R369 IonicContact OD1-NE 2.82Å; D324-R369 PolarHBondContact OD1-NE 3.48Å; D324-R369 IonicContact OD1-NH2 3.31Å; D324-R369 IonicContact OD2-CZ 3.24Å; D324-R369 IonicContact OD2-NE 3.42Å; D324-R369 PolarHBondContact OD2-NE 2.84Å; D324-R369 IonicContact OD2-NH2 3.19Å; D324-R369 PolarHBondContact OD2-NH2 2.88Å; A357-R369 CarbonylContact O-C 3.44Å; A357-R369 PolarHBondContact O-N 3.37Å; R360-R369 HydrophobicContact CB-CB 4.13Å; R360-R369 HydrophobicContact CB-CG 4.06Å
370	P	97.3	Very high	94.3	Very high	6 Å²	6	44 Å²	44	4%	0.039	22%	0.224	C	C	.	.			trans	-64.2	155.4	178	28.7	-35.6	0	0	0	111.1	E323 F406 Y444	E323-P370 HydrophobicContact CB-CG 4.13Å; E323-P370 VanDerWaalsContact CB-O 3.3Å; E323-P370 WeakPolarHBondContact CB-O 3.14Å; E323-P370 PolarHBondContact N-O 2.84Å; E323-P370 WeakPolarHBondContact OE2-CG 3.48Å; P370-F406 WeakPolarHBondContact CG-O 3.43Å; P370-Y444 VanDerWaalsContact CA-OH 3.3Å; P370-Y444 WeakPolarHBondContact CA-OH 3.23Å; P370-Y444 HydrophobicContact CB-CE1 3.91Å
371	S	95.2	Very high	94.6	Very high	20 Å²	20	39.5 Å²	39.5	14%	0.14	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	147.8	177.8	-56.4	0	0	0	0	111.4	D321 A374 S375 Y444	D321-S371 CarbonylContact O-C 3.09Å; D321-S371 VanDerWaalsContact O-CA 3.23Å; D321-S371 WeakPolarHBondContact O-CA 3.26Å; D321-S371 WeakPolarHBondContact O-CB 3.46Å; S371-A374 PolarHBondContact O-N 3.36Å; S371-S375 VanDerWaalsContact O-CB 3.29Å; S371-S375 WeakPolarHBondContact O-CB 3.14Å; S371-S375 PolarHBondContact O-N 2.84Å; S371-S375 PolarHBondContact O-OG 2.71Å; S371-Y444 PolarHBondContact N-OH 3.08Å
372	F	96.1	Very high	95	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.6	172.3	-178.1	-95.3	0	0	0	108.7	G320 D321 E323 L326 Y330 M331 I334 N335 F338 F410	G320-F372 CarbonylContact C-O 3.51Å; G320-F372 WeakPolarHBondContact CA-O 3.34Å; D321-F372 PolarHBondContact N-O 2.98Å; D321-F372 PolarHBondContact O-N 2.75Å; E323-F372 HydrophobicContact CB-CB 4.39Å; E323-F372 HydrophobicContact CG-CB 4.46Å; L326-F372 HydrophobicContact CD1-CB 3.9Å; L326-F372 HydrophobicContact CD1-CD1 3.44Å; L326-F372 VanDerWaalsContact CD1-CD1 3.44Å; L326-F372 HydrophobicContact CD1-CE1 4.33Å; L326-F372 HydrophobicContact CD1-CG 3.97Å; Y330-F372 HydrophobicContact CE1-CE1 4.49Å; M331-F372 HydrophobicContact CB-CE2 4.49Å; M331-F372 HydrophobicContact CB-CZ 4.41Å; M331-F372 HydrophobicContact CG-CD1 4.08Å; M331-F372 HydrophobicContact CG-CD2 4.33Å; M331-F372 HydrophobicContact CG-CE1 4.18Å; M331-F372 HydrophobicContact CG-CE2 4.44Å; M331-F372 HydrophobicContact CG-CG 4.14Å; M331-F372 HydrophobicContact CG-CZ 4.36Å; M331-F372 HydrophobicContact SD-CB 4.4Å; M331-F372 HydrophobicContact SD-CD2 4.39Å; M331-F372 HydrophobicContact SD-CG 4.24Å; I334-F372 HydrophobicContact CB-CE1 3.95Å; I334-F372 HydrophobicContact CB-CZ 3.83Å; I334-F372 HydrophobicContact CG1-CE1 4.46Å; I334-F372 HydrophobicContact CG2-CE1 3.69Å; I334-F372 HydrophobicContact CG2-CZ 3.62Å; N335-F372 WeakPolarHBondContact OD1-CE2 3.33Å; F338-F372 HydrophobicContact CE2-CE2 4.44Å; F338-F372 HydrophobicContact CE2-CZ 4.02Å; F372-F410 AromaticContact CD2-CE2 3.64Å; F372-F410 HydrophobicContact CD2-CE2 3.64Å; F372-F410 HydrophobicContact CD2-CZ 4.29Å; F372-F410 AromaticContact CE2-CE2 3.54Å; F372-F410 HydrophobicContact CE2-CE2 3.54Å; F372-F410 AromaticContact CE2-CZ 3.8Å; F372-F410 HydrophobicContact CE2-CZ 3.8Å
373	P	97.3	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	cis	-77.7	-5.1	10.4	-27.4	41	0	0	0	119.1	F298 Y319 F338 F350 S375 S376	F298-P373 HydrophobicContact CE1-CG 4.33Å; F298-P373 HydrophobicContact CE2-CG 4.07Å; F298-P373 HydrophobicContact CZ-CG 3.71Å; Y319-P373 HydrophobicContact CD1-CG 4.3Å; F338-P373 HydrophobicContact CE2-CB 3.7Å; F338-P373 HydrophobicContact CE2-CG 4.31Å; F338-P373 HydrophobicContact CZ-CB 3.55Å; F338-P373 HydrophobicContact CZ-CG 3.8Å; F350-P373 HydrophobicContact CD1-CB 3.75Å; F350-P373 HydrophobicContact CD1-CG 3.96Å; F350-P373 HydrophobicContact CD2-CB 4.36Å; F350-P373 HydrophobicContact CE1-CB 3.64Å; F350-P373 HydrophobicContact CE1-CG 3.49Å; F350-P373 VanDerWaalsContact CE1-CG 3.49Å; F350-P373 HydrophobicContact CE2-CB 4.25Å; F350-P373 HydrophobicContact CG-CB 4.11Å; F350-P373 HydrophobicContact CZ-CB 3.89Å; F350-P373 HydrophobicContact CZ-CG 3.96Å; P373-S375 PolarHBondContact O-N 2.75Å; P373-S375 VanDerWaalsContact O-N 3.07Å; P373-S376 WeakPolarHBondContact O-CB 3.29Å; P373-S376 PolarHBondContact O-N 2.97Å
374	A	98	Very high	96.5	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.017	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.2	-177.4	0	0	0	0	0	114	S371 S376 T381 Y444	S371-A374 PolarHBondContact O-N 3.36Å; A374-S376 VanDerWaalsContact C-N 3.32Å; A374-S376 PolarHBondContact O-N 2.78Å; A374-T381 HydrophobicContact CB-CG2 3.71Å; A374-T381 PolarHBondContact O-OG1 2.69Å; A374-Y444 HydrophobicContact CB-CD2 4.27Å; A374-Y444 HydrophobicContact CB-CE2 4.03Å
375	S	98.6	Very high	97.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.6	176.7	70	0	0	0	0	115	E323 S371 P373 R442	E323-S375 WeakPolarHBondContact OE1-CB 3.48Å; E323-S375 PolarHBondContact OE1-OG 2.73Å; S371-S375 VanDerWaalsContact O-CB 3.29Å; S371-S375 WeakPolarHBondContact O-CB 3.14Å; S371-S375 PolarHBondContact O-N 2.84Å; S371-S375 PolarHBondContact O-OG 2.71Å; P373-S375 PolarHBondContact O-N 2.75Å; P373-S375 VanDerWaalsContact O-N 3.07Å; S375-R442 WeakPolarHBondContact O-CB 3.36Å; S375-R442 VanDerWaalsContact O-CD 3.29Å; S375-R442 WeakPolarHBondContact O-CD 3.32Å; S375-R442 WeakPolarHBondContact O-CG 3.43Å
376	S	98.8	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.			trans	-62.3	137.3	175.9	-178.8	0	0	0	0	110.7	N335 F338 P373 A374 Y378 R442	N335-S376 WeakPolarHBondContact OD1-CB 3.49Å; N335-S376 PolarHBondContact OD1-OG 2.78Å; F338-S376 WeakPolarHBondContact CD2-OG 3.09Å; P373-S376 WeakPolarHBondContact O-CB 3.29Å; P373-S376 PolarHBondContact O-N 2.97Å; A374-S376 VanDerWaalsContact C-N 3.32Å; A374-S376 PolarHBondContact O-N 2.78Å; S376-Y378 PolarHBondContact O-N 3.2Å; S376-Y378 PolarHBondContact OG-N 3.04Å; S376-R442 PolarHBondContact O-NE 3.2Å; S376-R442 PolarHBondContact O-NH2 2.74Å
377	P	98.7	Very high	97.9	Very high	9 Å²	9	9.5 Å²	9.5	6%	0.058	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.8	173.9	32.7	-34.6	0	0	0	113	N335 P413 Y415 R442 F497	N335-P377 WeakPolarHBondContact ND2-CD 3.33Å; P377-P413 HydrophobicContact CB-CB 4.09Å; P377-P413 HydrophobicContact CB-CG 3.88Å; P377-Y415 PolarHBondContact O-OH 2.93Å; P377-R442 HydrophobicContact CB-CG 4.14Å; P377-F497 WeakPolarHBondContact O-CZ 3.39Å
378	Y	98.8	Very high	97.7	Very high	35 Å²	35	14.2 Å²	14.2	14%	0.137	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	15.2	-172.3	-57.2	-56.7	0	0	0	114.2	E61 L64 N335 M339 S376 F497	E61-Y378 WeakPolarHBondContact CG-OH 3.33Å; E61-Y378 PolarHBondContact OE1-OH 3.41Å; L64-Y378 HydrophobicContact CD2-CD1 3.4Å; L64-Y378 VanDerWaalsContact CD2-CD1 3.4Å; L64-Y378 HydrophobicContact CD2-CE1 3.81Å; L64-Y378 HydrophobicContact CD2-CG 4.19Å; N335-Y378 HydrophobicContact CB-CD2 4.09Å; N335-Y378 HydrophobicContact CB-CE2 4.37Å; M339-Y378 HydrophobicContact CE-CE2 4.29Å; M339-Y378 HydrophobicContact CG-CD1 3.87Å; M339-Y378 HydrophobicContact CG-CD2 3.44Å; M339-Y378 VanDerWaalsContact CG-CD2 3.44Å; M339-Y378 HydrophobicContact CG-CE1 3.94Å; M339-Y378 HydrophobicContact CG-CE2 3.51Å; M339-Y378 HydrophobicContact CG-CG 3.62Å; M339-Y378 HydrophobicContact SD-CD2 4.14Å; M339-Y378 HydrophobicContact SD-CE1 3.98Å; M339-Y378 HydrophobicContact SD-CE2 3.54Å; M339-Y378 VanDerWaalsContact SD-CE2 3.54Å; S376-Y378 PolarHBondContact O-N 3.2Å; S376-Y378 PolarHBondContact OG-N 3.04Å; Y378-F497 HydrophobicContact CD1-CE1 4.43Å; Y378-F497 HydrophobicContact CD1-CZ 4.5Å
379	V	98.8	Very high	97.3	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	8%	0.08	C	C	.	.	S	Bend	trans	-131.4	155	176.7	-54.5	0	0	0	0	110	F338 L348 F350 R442 N499	F338-V379 HydrophobicContact CB-CG1 4.19Å; F338-V379 HydrophobicContact CD1-CG1 4.11Å; F338-V379 HydrophobicContact CD2-CG1 3.6Å; F338-V379 HydrophobicContact CE1-CG1 4.36Å; F338-V379 HydrophobicContact CE2-CG1 3.89Å; F338-V379 HydrophobicContact CG-CG1 3.71Å; F338-V379 HydrophobicContact CZ-CG1 4.25Å; L348-V379 HydrophobicContact CB-CG1 4.33Å; F350-V379 HydrophobicContact CB-CG2 4.49Å; F350-V379 HydrophobicContact CD2-CB 3.75Å; F350-V379 HydrophobicContact CD2-CG1 3.75Å; F350-V379 HydrophobicContact CD2-CG2 3.97Å; F350-V379 HydrophobicContact CE2-CB 4.23Å; F350-V379 HydrophobicContact CE2-CG1 3.71Å; V379-R442 PolarHBondContact O-NH2 2.92Å; V379-N499 PolarHBondContact O-ND2 2.8Å
380	T	98.9	Very high	96.4	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	108.7	171	-57.6	0	0	0	0	109.2	L348 L349 F350 D446 M447 L498 N499	L348-T380 PolarHBondContact O-N 2.93Å; L349-T380 CarbonylContact C-O 3.54Å; L349-T380 WeakPolarHBondContact CA-O 3.3Å; F350-T380 PolarHBondContact N-O 3.2Å; T380-D446 WeakPolarHBondContact CA-OD2 3.14Å; T380-D446 HydrophobicContact CG2-CB 4.23Å; T380-M447 HydrophobicContact CG2-SD 4.47Å; T380-L498 HydrophobicContact CG2-CD2 4.5Å; T380-N499 WeakPolarHBondContact CA-OD1 3.4Å; T380-N499 WeakPolarHBondContact CB-OD1 3.31Å; T380-N499 PolarHBondContact OG1-OD1 2.83Å
381	T	98.9	Very high	95.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.4	-178.2	-60.6	0	0	0	0	110.2	F350 A374 R442 Y444 P445 D446 M447	F350-T381 CarbonylContact O-C 3.56Å; F350-T381 WeakPolarHBondContact O-CA 3.37Å; A374-T381 HydrophobicContact CB-CG2 3.71Å; A374-T381 PolarHBondContact O-OG1 2.69Å; T381-R442 PolarHBondContact OG1-NH2 2.83Å; T381-Y444 HydrophobicContact CG2-CD2 3.7Å; T381-Y444 HydrophobicContact CG2-CG 4.28Å; T381-P445 HydrophobicContact CG2-CB 4.01Å; T381-P445 WeakPolarHBondContact O-CB 3.29Å; T381-D446 PolarHBondContact N-OD2 3.13Å; T381-D446 PolarHBondContact O-N 3.25Å; T381-M447 PolarHBondContact O-N 3.5Å
382	V	98.9	Very high	95.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.7	-173.5	-172.9	0	0	0	0	110.8	L349 F350 S352 M447 T473 V476	L349-V382 HydrophobicContact CB-CG2 4.32Å; L349-V382 HydrophobicContact CD2-CG2 3.91Å; F350-V382 PolarHBondContact O-N 3.46Å; S352-V382 WeakPolarHBondContact CB-O 3.38Å; S352-V382 PolarHBondContact N-O 2.85Å; S352-V382 PolarHBondContact OG-O 2.99Å; V382-M447 CarbonylContact C-O 3.1Å; V382-M447 WeakPolarHBondContact CA-O 3.41Å; V382-T473 HydrophobicContact CG2-CG2 4.35Å; V382-V476 HydrophobicContact CG1-CB 4.28Å; V382-V476 HydrophobicContact CG1-CG2 3.66Å; V382-V476 HydrophobicContact CG2-CB 4.28Å; V382-V476 HydrophobicContact CG2-CG1 4.42Å; V382-V476 HydrophobicContact CG2-CG2 4.46Å
383	G	98.8	Very high	95	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-172.5	174.3	0	0	0	0	0	114.1	S352 M447 A448 A449 S472	S352-G383 WeakPolarHBondContact OG-CA 3.48Å; G383-M447 PolarHBondContact N-O 3.11Å; G383-A448 WeakPolarHBondContact O-CA 3.31Å; G383-A449 PolarHBondContact O-N 3.46Å; G383-S472 VanDerWaalsContact O-CB 3.23Å; G383-S472 WeakPolarHBondContact O-CB 3.26Å; G383-S472 PolarHBondContact O-OG 3.06Å
384	G	98.4	Very high	94.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.5	-171.8	0	0	0	0	0	113.9	D399 S402 A449 S451	G384-D399 PolarHBondContact O-N 3.43Å; G384-S402 PolarHBondContact N-OG 3.04Å; G384-S402 WeakPolarHBondContact O-CB 3.36Å; G384-A449 CarbonylContact C-O 3.54Å; G384-A449 WeakPolarHBondContact CA-O 3.04Å; G384-S451 WeakPolarHBondContact CA-OG 3.23Å
385	T	98.8	Very high	94.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	162.2	173.8	57.3	0	0	0	0	110.6	V397 A448 A449 L450 S451 V513 T541 T545	T385-V397 CarbonylContact C-O 3.52Å; T385-V397 VanDerWaalsContact CA-O 3.27Å; T385-V397 WeakPolarHBondContact CA-O 3.23Å; T385-V397 WeakPolarHBondContact CB-O 3.45Å; T385-A448 HydrophobicContact CG2-CB 4Å; T385-A449 PolarHBondContact N-O 2.67Å; T385-A449 PolarHBondContact OG1-O 3.33Å; T385-L450 CarbonylContact O-C 3.44Å; T385-L450 VanDerWaalsContact O-CA 3.31Å; T385-L450 WeakPolarHBondContact O-CA 3.41Å; T385-L450 WeakPolarHBondContact OG1-CA 3.38Å; T385-L450 PolarHBondContact OG1-N 2.93Å; T385-S451 PolarHBondContact N-OG 3.22Å; T385-S451 PolarHBondContact O-N 3.08Å; T385-S451 PolarHBondContact O-OG 2.72Å; T385-V513 HydrophobicContact CG2-CG1 4.48Å; T385-V513 HydrophobicContact CG2-CG2 3.84Å; T385-T541 HydrophobicContact CG2-CG2 4Å; T385-T545 HydrophobicContact CG2-CG2 3.6Å
386	S	97.1	Very high	94.3	Very high	18 Å²	18	32.9 Å²	32.9	13%	0.126	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160.3	173.3	64.1	0	0	0	0	109.8	E396 V397	S386-E396 CarbonylContact O-C 3.51Å; S386-E396 VanDerWaalsContact O-CA 3.29Å; S386-E396 WeakPolarHBondContact O-CA 3.17Å; S386-V397 PolarHBondContact N-O 2.88Å; S386-V397 PolarHBondContact O-N 2.91Å
387	F	96.1	Very high	94.3	Very high	16 Å²	16	33.7 Å²	33.7	7%	0.07	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.4	170.1	-66.5	-56	0	0	0	110.4	V195 V199 R203 N389 V393 E396 L450	V195-F387 HydrophobicContact CG2-CE2 4.37Å; V199-F387 HydrophobicContact CG1-CE2 3.65Å; V199-F387 HydrophobicContact CG1-CZ 3.87Å; R203-F387 HydrophobicContact CB-CE1 4.45Å; R203-F387 HydrophobicContact CB-CZ 4.22Å; R203-F387 HydrophobicContact CG-CE1 3.93Å; R203-F387 HydrophobicContact CG-CZ 4.12Å; F387-N389 VanDerWaalsContact CB-O 3.25Å; F387-N389 WeakPolarHBondContact CB-O 3.3Å; F387-N389 PolarHBondContact O-N 2.65Å; F387-V393 HydrophobicContact CE1-CG1 4.23Å; F387-V393 HydrophobicContact CZ-CB 4.32Å; F387-V393 HydrophobicContact CZ-CG1 3.93Å; F387-V393 HydrophobicContact CZ-CG2 4.49Å; F387-E396 HydrophobicContact CD1-CG 4.17Å; F387-E396 HydrophobicContact CE1-CG 4.23Å; F387-L450 HydrophobicContact CD1-CD2 4.25Å; F387-L450 HydrophobicContact CD2-CD2 4.27Å; F387-L450 HydrophobicContact CE1-CD1 3.98Å; F387-L450 HydrophobicContact CE1-CD2 4.17Å; F387-L450 HydrophobicContact CE2-CD1 3.67Å; F387-L450 HydrophobicContact CE2-CD2 4.2Å; F387-L450 HydrophobicContact CG-CD2 4.3Å; F387-L450 HydrophobicContact CZ-CD1 3.35Å; F387-L450 HydrophobicContact CZ-CD2 4.16Å; F387-L450 HydrophobicContact CZ-CG 4.36Å
388	K	92.8	Very high	94.2	Very high	120 Å²	120	33.8 Å²	33.8	52%	0.522	17%	0.167	S	C	.	.	S	Bend	trans	-56.1	-36.5	172.9	-171	165.5	-175.7	159.8	0	112.3	Y395 V397 E515	K388-Y395 HydrophobicContact CD-CD1 4.4Å; K388-Y395 PolarHBondContact N-O 3.24Å; K388-V397 HydrophobicContact CB-CG1 3.9Å; K388-V397 HydrophobicContact CB-CG2 4.49Å; K388-V397 HydrophobicContact CD-CG1 4.14Å; K388-V397 HydrophobicContact CG-CG1 4.21Å; K388-E515 WeakPolarHBondContact CE-OE1 3.23Å; K388-E515 IonicContact NZ-OE1 3.63Å; K388-E515 PolarHBondContact NZ-OE1 3.32Å; K388-E515 IonicContact NZ-OE2 3.76Å; K388-E515 PolarHBondContact NZ-OE2 2.77Å
389	N	89	Confident	94.2	Very high	61 Å²	61	32.2 Å²	32.2	33%	0.326	16%	0.161	S	C	.	.	S	Bend	trans	-110.6	111.8	166.5	-173.3	-35.2	0	0	0	108.9	F387 F391 K392	F387-N389 VanDerWaalsContact CB-O 3.25Å; F387-N389 WeakPolarHBondContact CB-O 3.3Å; F387-N389 PolarHBondContact O-N 2.65Å; N389-F391 PolarHBondContact O-N 3.42Å; N389-F391 PolarHBondContact OD1-N 3.1Å; N389-F391 VanDerWaalsContact OD1-N 3.08Å; N389-K392 HydrophobicContact CB-CB 4.34Å; N389-K392 PolarHBondContact O-N 2.83Å; N389-K392 VanDerWaalsContact O-N 3.09Å; N389-K392 VanDerWaalsContact O-O 3.09Å
390	P	80.2	Confident	94.1	Very high	59 Å²	59	36.3 Å²	36.3	38%	0.383	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.3	-172.9	25.9	-35.3	0	0	0	114.1	H192	H192-P390 PolarHBondContact CE1-O 3.47Å
391	F	83	Confident	94	Very high	61 Å²	61	36.6 Å²	36.6	27%	0.268	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	3.7	-177.9	-57.5	-60.8	0	0	0	113.7	A191 H192 N389	A191-F391 HydrophobicContact CB-CB 3.75Å; A191-F391 HydrophobicContact CB-CD1 3.67Å; A191-F391 HydrophobicContact CB-CG 3.88Å; H192-F391 VanDerWaalsContact CD2-C 3.46Å; H192-F391 PolarHBondContact CD2-O 3.24Å; H192-F391 PolarHBondContact NE2-O 2.94Å; N389-F391 PolarHBondContact O-N 3.42Å; N389-F391 PolarHBondContact OD1-N 3.1Å; N389-F391 VanDerWaalsContact OD1-N 3.08Å
392	K	86.3	Confident	94	Very high	125 Å²	125	36.6 Å²	36.6	54%	0.543	18%	0.178	S	C	.	.	S	Bend	trans	-135.1	129.1	178.3	-57.8	-173.9	176.5	-176.1	0	111.1	H192 N389 T394	H192-K392 VanDerWaalsContact NE2-C 3.28Å; H192-K392 VanDerWaalsContact NE2-CA 3.28Å; H192-K392 WeakPolarHBondContact NE2-CA 3.4Å; H192-K392 PolarHBondContact NE2-N 2.86Å; H192-K392 VanDerWaalsContact NE2-N 3.13Å; N389-K392 HydrophobicContact CB-CB 4.34Å; N389-K392 PolarHBondContact O-N 2.83Å; N389-K392 VanDerWaalsContact O-N 3.09Å; N389-K392 VanDerWaalsContact O-O 3.09Å; K392-T394 VanDerWaalsContact C-N 3.34Å; K392-T394 HydrophobicContact CB-CG2 3.48Å; K392-T394 VanDerWaalsContact CB-CG2 3.48Å; K392-T394 HydrophobicContact CD-CG2 4.41Å; K392-T394 PolarHBondContact O-N 2.74Å; K392-T394 PolarHBondContact O-OG1 3.02Å
393	V	88.3	Confident	94	Very high	51 Å²	51	36.6 Å²	36.6	31%	0.309	18%	0.179	S	C	.	.	S	Bend	trans	-64.4	92.5	168	-171.4	0	0	0	0	109.1	H192 V199 T202 R203 F387	H192-V393 PolarHBondContact NE2-N 3.07Å; V199-V393 HydrophobicContact CB-CG2 4.45Å; V199-V393 HydrophobicContact CG1-CG2 3.92Å; V199-V393 HydrophobicContact CG2-CG2 4.24Å; T202-V393 HydrophobicContact CG2-CG1 4.25Å; R203-V393 HydrophobicContact CB-CG1 3.78Å; F387-V393 HydrophobicContact CE1-CG1 4.23Å; F387-V393 HydrophobicContact CZ-CB 4.32Å; F387-V393 HydrophobicContact CZ-CG1 3.93Å; F387-V393 HydrophobicContact CZ-CG2 4.49Å
394	T	88.5	Confident	94	Very high	51 Å²	51	36.7 Å²	36.7	31%	0.313	18%	0.179	S	C	.	.			trans	-143.7	-150	-167.9	56	0	0	0	0	110.7	R203 K392	R203-T394 PolarHBondContact NH1-O 3.02Å; K392-T394 VanDerWaalsContact C-N 3.34Å; K392-T394 HydrophobicContact CB-CG2 3.48Å; K392-T394 VanDerWaalsContact CB-CG2 3.48Å; K392-T394 HydrophobicContact CD-CG2 4.41Å; K392-T394 PolarHBondContact O-N 2.74Å; K392-T394 PolarHBondContact O-OG1 3.02Å
395	Y	92.9	Very high	94	Very high	81 Å²	81	36.8 Å²	36.8	32%	0.318	18%	0.181	S	C	.	.			trans	-61.6	130	179.6	-173	-92.5	0	0	0	111.1	K388 V397 F511 T514 E515	K388-Y395 HydrophobicContact CD-CD1 4.4Å; K388-Y395 PolarHBondContact N-O 3.24Å; Y395-V397 HydrophobicContact CD1-CG1 3.82Å; Y395-V397 HydrophobicContact CE1-CG1 3.79Å; Y395-F511 HydrophobicContact CD2-CE2 4.09Å; Y395-F511 AromaticContact CD2-CZ 3.51Å; Y395-F511 HydrophobicContact CD2-CZ 3.51Å; Y395-F511 HydrophobicContact CE2-CE1 4.39Å; Y395-F511 HydrophobicContact CE2-CE2 4.06Å; Y395-F511 AromaticContact CE2-CZ 3.4Å; Y395-F511 HydrophobicContact CE2-CZ 3.4Å; Y395-F511 HydrophobicContact CG-CZ 4.21Å; Y395-T514 PolarHBondContact OH-OG1 3.49Å; Y395-E515 HydrophobicContact CE1-CB 4.43Å
396	E	97.8	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	138.4	174.3	-79.4	164.4	-177	0	0	110.6	R203 Y204 S386 F387 L450 F511 T545	R203-E396 WeakPolarHBondContact CG-OE1 3.35Å; R203-E396 IonicContact CZ-OE1 3.86Å; R203-E396 IonicContact CZ-OE2 2.85Å; R203-E396 IonicContact NE-OE1 2.73Å; R203-E396 PolarHBondContact NE-OE1 3.38Å; R203-E396 IonicContact NE-OE2 3.25Å; R203-E396 PolarHBondContact NE-OE2 2.72Å; R203-E396 VanDerWaalsContact NH2-CD 3.25Å; R203-E396 IonicContact NH2-OE1 3.42Å; R203-E396 IonicContact NH2-OE2 2.82Å; R203-E396 PolarHBondContact NH2-OE2 2.8Å; Y204-E396 VanDerWaalsContact CE1-OE1 3.25Å; Y204-E396 WeakPolarHBondContact CE1-OE1 3.35Å; Y204-E396 PolarHBondContact OH-OE1 2.76Å; S386-E396 CarbonylContact O-C 3.51Å; S386-E396 VanDerWaalsContact O-CA 3.29Å; S386-E396 WeakPolarHBondContact O-CA 3.17Å; F387-E396 HydrophobicContact CD1-CG 4.17Å; F387-E396 HydrophobicContact CE1-CG 4.23Å; E396-L450 HydrophobicContact CG-CD2 3.98Å; E396-L450 WeakPolarHBondContact OE1-CG 3.1Å; E396-F511 HydrophobicContact CB-CD1 4.45Å; E396-F511 HydrophobicContact CB-CE1 3.96Å; E396-T545 VanDerWaalsContact OE2-CB 3.24Å; E396-T545 WeakPolarHBondContact OE2-CB 3.43Å; E396-T545 WeakPolarHBondContact OE2-CG2 3.39Å; E396-T545 PolarHBondContact OE2-OG1 2.96Å
397	V	98.3	Very high	94.1	Very high	17 Å²	17	36.2 Å²	36.2	10%	0.103	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	167	172.3	-63.1	0	0	0	0	108.7	T385 S386 K388 Y395 D399 E515	T385-V397 CarbonylContact C-O 3.52Å; T385-V397 VanDerWaalsContact CA-O 3.27Å; T385-V397 WeakPolarHBondContact CA-O 3.23Å; T385-V397 WeakPolarHBondContact CB-O 3.45Å; S386-V397 PolarHBondContact N-O 2.88Å; S386-V397 PolarHBondContact O-N 2.91Å; K388-V397 HydrophobicContact CB-CG1 3.9Å; K388-V397 HydrophobicContact CB-CG2 4.49Å; K388-V397 HydrophobicContact CD-CG1 4.14Å; K388-V397 HydrophobicContact CG-CG1 4.21Å; Y395-V397 HydrophobicContact CD1-CG1 3.82Å; Y395-V397 HydrophobicContact CE1-CG1 3.79Å; V397-D399 PolarHBondContact O-N 2.64Å; V397-E515 HydrophobicContact CG1-CB 4.04Å; V397-E515 HydrophobicContact CG1-CG 4.06Å
398	T	98.3	Very high	94.1	Very high	11 Å²	11	38.9 Å²	38.9	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	128.3	169.6	-68.3	0	0	0	0	110.7	E515 G516 H518 A533 V540	T398-E515 WeakPolarHBondContact CB-O 2.98Å; T398-E515 PolarHBondContact N-O 3.33Å; T398-E515 PolarHBondContact OG1-O 3.18Å; T398-G516 PolarHBondContact OG1-O 3.34Å; T398-G516 VanDerWaalsContact OG1-O 3.13Å; T398-H518 HydrophobicContact CG2-CB 4.48Å; T398-A533 WeakPolarHBondContact OG1-CB 3.43Å; T398-V540 HydrophobicContact CG2-CG1 3.4Å
399	D	98	Very high	94.3	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	18%	0.184	C	C	.	.			trans	-79.2	128.1	158.9	-172.9	-1	0	0	0	108.1	G384 V397 I401 S402 S451	G384-D399 PolarHBondContact O-N 3.43Å; V397-D399 PolarHBondContact O-N 2.64Å; D399-I401 PolarHBondContact O-N 3.45Å; D399-I401 VanDerWaalsContact OD2-CG1 3.32Å; D399-I401 WeakPolarHBondContact OD2-CG1 3.36Å; D399-S402 WeakPolarHBondContact O-CB 3.49Å; D399-S402 PolarHBondContact O-N 3.36Å; D399-S451 VanDerWaalsContact CB-OG 3.27Å; D399-S451 WeakPolarHBondContact CB-OG 3.49Å; D399-S451 PolarHBondContact OD2-OG 2.99Å
400	Y	97.3	Very high	94.8	Very high	86 Å²	86	34.3 Å²	34.3	34%	0.337	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22	-171.2	66.6	-97.1	0	0	0	112.5	K183 S402 H518 L519	K183-Y400 WeakPolarHBondContact CE-OH 3.34Å; K183-Y400 PolarHBondContact NZ-OH 3.38Å; Y400-S402 VanDerWaalsContact C-N 3.34Å; Y400-H518 CarbonylContact O-C 3.49Å; Y400-H518 VanDerWaalsContact O-CA 3.3Å; Y400-H518 WeakPolarHBondContact O-CA 3.38Å; Y400-H518 WeakPolarHBondContact O-CB 3.45Å; Y400-L519 HydrophobicContact CD2-CD1 3.6Å; Y400-L519 HydrophobicContact CD2-CD2 4.07Å; Y400-L519 HydrophobicContact CD2-CG 3.72Å; Y400-L519 HydrophobicContact CE2-CD1 3.97Å; Y400-L519 WeakPolarHBondContact O-CG 3.42Å; Y400-L519 PolarHBondContact O-N 3.24Å
401	I	96.8	Very high	95.6	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.041	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-16.6	175.9	62.6	172.2	0	0	0	113.5	D354 S355 G356 D399 G403	D354-I401 CarbonylContact C-O 3.6Å; D354-I401 VanDerWaalsContact CA-O 3.23Å; D354-I401 WeakPolarHBondContact CA-O 3.2Å; D354-I401 HydrophobicContact CB-CB 4.33Å; D354-I401 HydrophobicContact CB-CD1 4.24Å; S355-I401 PolarHBondContact N-O 3.37Å; S355-I401 VanDerWaalsContact N-O 3.1Å; G356-I401 PolarHBondContact N-O 3.03Å; D399-I401 PolarHBondContact O-N 3.45Å; D399-I401 VanDerWaalsContact OD2-CG1 3.32Å; D399-I401 WeakPolarHBondContact OD2-CG1 3.36Å; I401-G403 PolarHBondContact O-N 3.37Å; I401-G403 VanDerWaalsContact O-N 3.08Å
402	S	98.6	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.			trans	-51.9	113.7	-171.3	-175.6	0	0	0	0	112.3	G356 G384 D399 Y400 H518 V540	G356-S402 WeakPolarHBondContact CA-O 3.05Å; G384-S402 PolarHBondContact N-OG 3.04Å; G384-S402 WeakPolarHBondContact O-CB 3.36Å; D399-S402 WeakPolarHBondContact O-CB 3.49Å; D399-S402 PolarHBondContact O-N 3.36Å; Y400-S402 VanDerWaalsContact C-N 3.34Å; S402-H518 VanDerWaalsContact O-CB 3.31Å; S402-H518 WeakPolarHBondContact O-CB 3.41Å; S402-H518 PolarHBondContact O-ND1 3.01Å; S402-V540 PolarHBondContact OG-O 3.31Å
403	G	98.6	Very high	96.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	17%	0.171	C	C	.	.			trans	-64.4	139.4	179.4	0	0	0	0	0	111.3	S352 G353 G356 I401	S352-G403 WeakPolarHBondContact CB-O 3.34Å; S352-G403 WeakPolarHBondContact O-CA 3.44Å; S352-G403 VanDerWaalsContact OG-C 3.3Å; S352-G403 VanDerWaalsContact OG-CA 3.28Å; S352-G403 WeakPolarHBondContact OG-CA 3.16Å; S352-G403 PolarHBondContact OG-N 2.91Å; S352-G403 VanDerWaalsContact OG-N 3.14Å; S352-G403 PolarHBondContact OG-O 3.27Å; G353-G403 WeakPolarHBondContact O-CA 3.37Å; G353-G403 PolarHBondContact O-N 2.64Å; G356-G403 WeakPolarHBondContact O-CA 3.22Å; I401-G403 PolarHBondContact O-N 3.37Å; I401-G403 VanDerWaalsContact O-N 3.08Å
404	G	98.6	Very high	97.4	Very high	1 Å²	1	40 Å²	40	1%	0.01	19%	0.194	C	C	.	.			trans	-178.4	163.2	-177.8	0	0	0	0	0	112.5	G356 A357 Y444 H518 P539	G356-G404 PolarHBondContact O-N 2.92Å; A357-G404 WeakPolarHBondContact CA-O 3.29Å; G404-Y444 VanDerWaalsContact CA-CE2 3.41Å; G404-Y444 VanDerWaalsContact CA-O 3.3Å; G404-Y444 WeakPolarHBondContact CA-O 3.49Å; G404-H518 PolarHBondContact O-CE1 3.28Å; G404-P539 CarbonylContact C-O 3.59Å; G404-P539 VanDerWaalsContact CA-O 3.23Å; G404-P539 WeakPolarHBondContact CA-O 3.31Å
405	G	98.4	Very high	97.8	Very high	3 Å²	3	40 Å²	40	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.9	-149.5	179.3	0	0	0	0	0	112	A443 Y444 F531 P539	G405-A443 CarbonylContact O-C 3.55Å; G405-A443 WeakPolarHBondContact O-CA 3.48Å; G405-Y444 PolarHBondContact N-O 2.55Å; G405-Y444 WeakPolarHBondContact O-CD1 3.47Å; G405-Y444 PolarHBondContact O-N 2.6Å; G405-F531 VanDerWaalsContact CA-CE2 3.49Å; G405-P539 PolarHBondContact N-O 2.87Å
406	F	98.8	Very high	98.1	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.022	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.5	-172.2	-64	-109.5	0	0	0	110.6	P370 V420 L424 F437 N438 A443 F531 P539	P370-F406 WeakPolarHBondContact CG-O 3.43Å; F406-V420 HydrophobicContact CE1-CG1 3.64Å; F406-V420 HydrophobicContact CZ-CG1 4.17Å; F406-L424 HydrophobicContact CZ-CD2 4.06Å; F406-F437 AromaticContact CD2-CD2 3.58Å; F406-F437 HydrophobicContact CD2-CD2 3.58Å; F406-F437 HydrophobicContact CD2-CE2 4.22Å; F406-F437 HydrophobicContact CD2-CG 4.41Å; F406-F437 AromaticContact CE2-CD2 3.82Å; F406-F437 HydrophobicContact CE2-CD2 3.82Å; F406-F437 AromaticContact CE2-CE2 3.99Å; F406-F437 HydrophobicContact CE2-CE2 3.99Å; F406-F437 HydrophobicContact CG-CD2 4.03Å; F406-F437 HydrophobicContact CZ-CD2 4.41Å; F406-F437 HydrophobicContact CZ-CE2 4.29Å; F406-N438 WeakPolarHBondContact CB-O 3.41Å; F406-N438 WeakPolarHBondContact CD1-O 3.31Å; F406-A443 HydrophobicContact CD1-CB 3.48Å; F406-A443 VanDerWaalsContact CD1-CB 3.48Å; F406-A443 HydrophobicContact CD2-CB 4.43Å; F406-A443 HydrophobicContact CE1-CB 3.44Å; F406-A443 VanDerWaalsContact CE1-CB 3.44Å; F406-A443 HydrophobicContact CE2-CB 4.39Å; F406-A443 HydrophobicContact CG-CB 3.99Å; F406-A443 HydrophobicContact CZ-CB 3.91Å; F406-F531 HydrophobicContact CD2-CE1 4.15Å; F406-F531 HydrophobicContact CD2-CE2 4.16Å; F406-F531 AromaticContact CD2-CZ 3.64Å; F406-F531 HydrophobicContact CD2-CZ 3.64Å; F406-F531 HydrophobicContact CE2-CD1 4.45Å; F406-F531 AromaticContact CE2-CE1 3.78Å; F406-F531 HydrophobicContact CE2-CE1 3.78Å; F406-F531 HydrophobicContact CE2-CE2 4.4Å; F406-F531 AromaticContact CE2-CZ 3.75Å; F406-F531 HydrophobicContact CE2-CZ 3.75Å; F406-P539 HydrophobicContact CE2-CB 4.17Å; F406-P539 HydrophobicContact CE2-CG 4.15Å
407	S	98.6	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	142.5	173.9	-176.9	0	0	0	0	111.8	E323 V409 F410 N438 G441 R442	E323-S407 WeakPolarHBondContact OE1-CB 3.22Å; E323-S407 PolarHBondContact OE1-OG 3.29Å; E323-S407 PolarHBondContact OE2-OG 3.03Å; S407-V409 PolarHBondContact OG-N 3.45Å; S407-V409 VanDerWaalsContact OG-N 3.08Å; S407-F410 PolarHBondContact OG-N 2.99Å; S407-N438 PolarHBondContact O-ND2 2.88Å; S407-G441 WeakPolarHBondContact O-CA 3.4Å; S407-R442 WeakPolarHBondContact CB-O 3.35Å; S407-R442 PolarHBondContact N-O 3.29Å
408	N	97.6	Very high	98.1	Very high	72 Å²	72	41.3 Å²	41.3	39%	0.385	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-9.9	168.3	-68.3	-55.1	0	0	0	112.5	E323 N438	E323-N408 WeakPolarHBondContact OE2-CA 3.4Å; E323-N408 PolarHBondContact OE2-N 2.98Å; N408-N438 WeakPolarHBondContact OD1-CB 3.47Å
409	V	96.9	Very high	98.1	Very high	62 Å²	62	41.3 Å²	41.3	38%	0.376	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-51.8	-172.2	178.6	0	0	0	0	111.5	E323 M331 S407	E323-V409 HydrophobicContact CG-CB 4.43Å; E323-V409 HydrophobicContact CG-CG2 3.78Å; E323-V409 PolarHBondContact OE2-N 2.61Å; M331-V409 HydrophobicContact CE-CB 4.5Å; M331-V409 HydrophobicContact CE-CG1 4.22Å; M331-V409 HydrophobicContact CE-CG2 3.72Å; M331-V409 HydrophobicContact SD-CG2 4.29Å; S407-V409 PolarHBondContact OG-N 3.45Å; S407-V409 VanDerWaalsContact OG-N 3.08Å
410	F	98.3	Very high	98.1	Very high	23 Å²	23	41.1 Å²	41.1	10%	0.101	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.1	-173.6	-56.4	-62.1	0	0	0	110.9	M331 N335 F372 S407 G441 R442	M331-F410 HydrophobicContact CB-CZ 3.88Å; N335-F410 WeakPolarHBondContact ND2-CD1 3.31Å; N335-F410 WeakPolarHBondContact ND2-CE1 3.5Å; N335-F410 WeakPolarHBondContact ND2-CZ 3.46Å; F372-F410 AromaticContact CD2-CE2 3.64Å; F372-F410 HydrophobicContact CD2-CE2 3.64Å; F372-F410 HydrophobicContact CD2-CZ 4.29Å; F372-F410 AromaticContact CE2-CE2 3.54Å; F372-F410 HydrophobicContact CE2-CE2 3.54Å; F372-F410 AromaticContact CE2-CZ 3.8Å; F372-F410 HydrophobicContact CE2-CZ 3.8Å; S407-F410 PolarHBondContact OG-N 2.99Å; F410-G441 CarbonylContact O-C 3.51Å; F410-G441 WeakPolarHBondContact O-CA 3.29Å; F410-R442 HydrophobicContact CB-CB 4.27Å; F410-R442 PolarHBondContact O-N 3.37Å
411	K	98.3	Very high	98.2	Very high	183 Å²	183	42.7 Å²	42.7	80%	0.796	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	151	174.6	-63.6	-178.2	-178.5	177	0	110.4	P413	K411-P413 WeakPolarHBondContact O-CD 3.15Å
412	M	98.5	Very high	98.2	Very high	45 Å²	45	44.1 Å²	44.1	22%	0.222	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-56.8	120.1	172.3	-179.2	161.6	51.9	0	0	110.5	Q416 V417 V420 S440	M412-Q416 HydrophobicContact CG-CG 3.7Å; M412-Q416 HydrophobicContact SD-CG 4.37Å; M412-V417 HydrophobicContact CE-CG1 4.4Å; M412-V417 HydrophobicContact CE-CG2 4.15Å; M412-V417 HydrophobicContact CG-CG2 4.09Å; M412-V417 HydrophobicContact SD-CG2 4.33Å; M412-V420 HydrophobicContact SD-CB 3.58Å; M412-V420 VanDerWaalsContact SD-CB 3.58Å; M412-V420 HydrophobicContact SD-CG1 3.67Å; M412-V420 HydrophobicContact SD-CG2 3.75Å; M412-S440 PolarHBondContact N-O 3.35Å
413	P	98.1	Very high	98.2	Very high	21 Å²	21	44.4 Å²	44.4	14%	0.136	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-71	149.2	177.6	26.6	-32.2	0	0	0	111.4	P377 K411 Y415 Q416 R442	P377-P413 HydrophobicContact CB-CB 4.09Å; P377-P413 HydrophobicContact CB-CG 3.88Å; K411-P413 WeakPolarHBondContact O-CD 3.15Å; P413-Y415 HydrophobicContact CB-CD1 3.83Å; P413-Y415 HydrophobicContact CB-CE1 3.48Å; P413-Y415 VanDerWaalsContact CB-CE1 3.48Å; P413-Y415 HydrophobicContact CB-CE2 4.38Å; P413-Y415 HydrophobicContact CB-CG 4.43Å; P413-Y415 HydrophobicContact CG-CD1 4.23Å; P413-Y415 HydrophobicContact CG-CD2 4.36Å; P413-Y415 HydrophobicContact CG-CE1 3.61Å; P413-Y415 HydrophobicContact CG-CE2 3.73Å; P413-Y415 PolarHBondContact O-N 2.72Å; P413-Y415 VanDerWaalsContact O-N 3.14Å; P413-Q416 HydrophobicContact CG-CG 3.82Å; P413-Q416 WeakPolarHBondContact O-CG 3.1Å; P413-Q416 PolarHBondContact O-N 3.09Å; P413-Q416 VanDerWaalsContact O-N 3.12Å; P413-R442 HydrophobicContact CG-CG 4.4Å
414	E	97.6	Very high	98.2	Very high	167 Å²	167	46 Å²	46	78%	0.78	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-55.6	-37	-174.9	-69.2	-175.1	164	0	0	113.1	Q416 V417	E414-Q416 PolarHBondContact O-N 3Å; E414-Q416 VanDerWaalsContact O-N 3.11Å; E414-V417 PolarHBondContact O-N 2.66Å
415	Y	97.8	Very high	98.2	Very high	50 Å²	50	54.6 Å²	54.6	20%	0.196	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.3	-23.5	-176.9	62.9	-111.7	0	0	0	113.6	P377 P413 F497 N499 P500 Y503	P377-Y415 PolarHBondContact O-OH 2.93Å; P413-Y415 HydrophobicContact CB-CD1 3.83Å; P413-Y415 HydrophobicContact CB-CE1 3.48Å; P413-Y415 VanDerWaalsContact CB-CE1 3.48Å; P413-Y415 HydrophobicContact CB-CE2 4.38Å; P413-Y415 HydrophobicContact CB-CG 4.43Å; P413-Y415 HydrophobicContact CG-CD1 4.23Å; P413-Y415 HydrophobicContact CG-CD2 4.36Å; P413-Y415 HydrophobicContact CG-CE1 3.61Å; P413-Y415 HydrophobicContact CG-CE2 3.73Å; P413-Y415 PolarHBondContact O-N 2.72Å; P413-Y415 VanDerWaalsContact O-N 3.14Å; Y415-F497 HydrophobicContact CE1-CE1 4.24Å; Y415-F497 AromaticContact CE1-CZ 3.78Å; Y415-F497 HydrophobicContact CE1-CZ 3.78Å; Y415-N499 HydrophobicContact CD2-CB 4.25Å; Y415-N499 HydrophobicContact CE1-CB 4.21Å; Y415-N499 HydrophobicContact CE2-CB 3.71Å; Y415-N499 PolarHBondContact OH-ND2 3.26Å; Y415-N499 VanDerWaalsContact OH-ND2 3.14Å; Y415-P500 HydrophobicContact CD1-CG 4.09Å; Y415-Y503 HydrophobicContact CD2-CD1 4.47Å; Y415-Y503 AromaticContact CD2-CD2 3.56Å; Y415-Y503 HydrophobicContact CD2-CD2 3.56Å; Y415-Y503 AromaticContact CD2-CE2 3.94Å; Y415-Y503 HydrophobicContact CD2-CE2 3.94Å; Y415-Y503 AromaticContact CD2-CG 3.84Å; Y415-Y503 HydrophobicContact CD2-CG 3.84Å; Y415-Y503 AromaticContact CE2-CD2 3.81Å; Y415-Y503 HydrophobicContact CE2-CD2 3.81Å; Y415-Y503 AromaticContact CE2-CE2 3.73Å; Y415-Y503 HydrophobicContact CE2-CE2 3.73Å; Y415-Y503 HydrophobicContact CE2-CG 4.47Å; Y415-Y503 WeakPolarHBondContact O-CB 3.4Å
416	Q	98.2	Very high	98.1	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-108	-5.3	-176.3	73.2	-179.1	38.2	0	0	114.8	M412 P413 E414 S418 A419 V420 A443 Y503	M412-Q416 HydrophobicContact CG-CG 3.7Å; M412-Q416 HydrophobicContact SD-CG 4.37Å; P413-Q416 HydrophobicContact CG-CG 3.82Å; P413-Q416 WeakPolarHBondContact O-CG 3.1Å; P413-Q416 PolarHBondContact O-N 3.09Å; P413-Q416 VanDerWaalsContact O-N 3.12Å; E414-Q416 PolarHBondContact O-N 3Å; E414-Q416 VanDerWaalsContact O-N 3.11Å; Q416-S418 VanDerWaalsContact C-N 3.34Å; Q416-S418 PolarHBondContact O-N 2.98Å; Q416-A419 WeakPolarHBondContact O-CB 3.38Å; Q416-A419 PolarHBondContact O-N 2.79Å; Q416-V420 HydrophobicContact CB-CG2 4.37Å; Q416-V420 HydrophobicContact CG-CG2 4.09Å; Q416-V420 WeakPolarHBondContact O-CG2 3.38Å; Q416-V420 PolarHBondContact O-N 3.38Å; Q416-A443 PolarHBondContact NE2-O 3.14Å; Q416-A443 PolarHBondContact OE1-O 3.12Å; Q416-Y503 HydrophobicContact CB-CD1 3.62Å; Q416-Y503 HydrophobicContact CB-CE1 3.29Å; Q416-Y503 HydrophobicContact CB-CE2 4.32Å; Q416-Y503 HydrophobicContact CB-CG 4.28Å
417	V	98.4	Very high	97.9	Very high	45 Å²	45	58.4 Å²	58.4	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-52.3	-51.6	-175.2	174.2	0	0	0	0	111.3	M412 E414 A419 V420 E421	M412-V417 HydrophobicContact CE-CG1 4.4Å; M412-V417 HydrophobicContact CE-CG2 4.15Å; M412-V417 HydrophobicContact CG-CG2 4.09Å; M412-V417 HydrophobicContact SD-CG2 4.33Å; E414-V417 PolarHBondContact O-N 2.66Å; V417-A419 VanDerWaalsContact C-N 3.26Å; V417-A419 PolarHBondContact O-N 3.14Å; V417-V420 PolarHBondContact O-N 3.32Å; V417-E421 HydrophobicContact CG1-CG 4.24Å; V417-E421 WeakPolarHBondContact O-CB 3.4Å; V417-E421 WeakPolarHBondContact O-CG 3.34Å; V417-E421 PolarHBondContact O-N 2.97Å
418	S	98.1	Very high	97.7	Very high	82 Å²	82	66.6 Å²	66.6	57%	0.573	34%	0.344	S	S	*	.	H	α-helix	trans	-61.8	-32	-179.1	177.5	0	0	0	0	113.4	Q416 G422	Q416-S418 VanDerWaalsContact C-N 3.34Å; Q416-S418 PolarHBondContact O-N 2.98Å; S418-G422 PolarHBondContact O-N 2.68Å
419	A	98.6	Very high	97.5	Very high	10 Å²	10	68.1 Å²	68.1	8%	0.083	37%	0.366	C	S	.	.	H	α-helix	trans	-75.3	-47.2	-179.3	0	0	0	0	0	110.7	Q416 V417 G422 Y423 Y503 W537 W543	Q416-A419 WeakPolarHBondContact O-CB 3.38Å; Q416-A419 PolarHBondContact O-N 2.79Å; V417-A419 VanDerWaalsContact C-N 3.26Å; V417-A419 PolarHBondContact O-N 3.14Å; A419-G422 PolarHBondContact O-N 2.99Å; A419-Y423 PolarHBondContact O-N 2.98Å; A419-Y503 HydrophobicContact CB-CD1 3.76Å; A419-Y503 HydrophobicContact CB-CE1 3.76Å; A419-W537 HydrophobicContact CB-CB 3.9Å; A419-W537 HydrophobicContact CB-CD2 4.34Å; A419-W537 HydrophobicContact CB-CG 4.06Å; A419-W543 HydrophobicContact CB-CH2 4.03Å; A419-W543 HydrophobicContact CB-CZ2 3.65Å
420	V	98.6	Very high	97.1	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-44.6	178.9	175.8	0	0	0	0	111.5	F406 M412 Q416 V417 G422 Y423 L424 A443 W537	F406-V420 HydrophobicContact CE1-CG1 3.64Å; F406-V420 HydrophobicContact CZ-CG1 4.17Å; M412-V420 HydrophobicContact SD-CB 3.58Å; M412-V420 VanDerWaalsContact SD-CB 3.58Å; M412-V420 HydrophobicContact SD-CG1 3.67Å; M412-V420 HydrophobicContact SD-CG2 3.75Å; Q416-V420 HydrophobicContact CB-CG2 4.37Å; Q416-V420 HydrophobicContact CG-CG2 4.09Å; Q416-V420 WeakPolarHBondContact O-CG2 3.38Å; Q416-V420 PolarHBondContact O-N 3.38Å; V417-V420 PolarHBondContact O-N 3.32Å; V420-G422 VanDerWaalsContact C-N 3.29Å; V420-G422 PolarHBondContact O-N 2.69Å; V420-Y423 WeakPolarHBondContact O-CB 3.33Å; V420-Y423 PolarHBondContact O-N 2.89Å; V420-L424 HydrophobicContact CG1-CD1 3.92Å; V420-L424 HydrophobicContact CG1-CG 4.26Å; V420-L424 WeakPolarHBondContact O-CG 3.38Å; V420-L424 PolarHBondContact O-N 2.88Å; V420-A443 HydrophobicContact CG1-CB 4.49Å; V420-A443 HydrophobicContact CG2-CB 3.8Å; V420-W537 HydrophobicContact CB-CZ3 4.26Å; V420-W537 HydrophobicContact CG2-CE3 4.21Å; V420-W537 HydrophobicContact CG2-CH2 3.85Å; V420-W537 HydrophobicContact CG2-CZ2 4.42Å; V420-W537 HydrophobicContact CG2-CZ3 3.72Å
421	E	98.3	Very high	97	Very high	118 Å²	118	70.7 Å²	70.7	55%	0.551	38%	0.382	S	S	*	.	H	α-helix	trans	-61.7	-39.2	175.3	-73	-178.7	166.1	0	0	111.8	V417 K425	V417-E421 HydrophobicContact CG1-CG 4.24Å; V417-E421 WeakPolarHBondContact O-CB 3.4Å; V417-E421 WeakPolarHBondContact O-CG 3.34Å; V417-E421 PolarHBondContact O-N 2.97Å; E421-K425 VanDerWaalsContact O-CB 3.25Å; E421-K425 WeakPolarHBondContact O-CB 3.49Å; E421-K425 PolarHBondContact O-N 3.35Å
422	G	98.3	Very high	96.9	Very high	39 Å²	39	62.7 Å²	62.7	40%	0.402	35%	0.349	S	S	.	.	H	α-helix	trans	-58.1	-49.3	173.1	0	0	0	0	0	112	S418 A419 V420 K425 S426	S418-G422 PolarHBondContact O-N 2.68Å; A419-G422 PolarHBondContact O-N 2.99Å; V420-G422 VanDerWaalsContact C-N 3.29Å; V420-G422 PolarHBondContact O-N 2.69Å; G422-K425 PolarHBondContact O-N 3.38Å; G422-S426 WeakPolarHBondContact O-CB 3.31Å; G422-S426 PolarHBondContact O-N 3.36Å; G422-S426 PolarHBondContact O-OG 2.73Å
423	Y	98.4	Very high	96.7	Very high	6 Å²	6	63.1 Å²	63.1	2%	0.024	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-59.3	175.5	177.1	-101.7	0	0	0	111.5	A419 V420 K425 S426 V427 L431 F531 C532 A534 W537 D538 P539	A419-Y423 PolarHBondContact O-N 2.98Å; V420-Y423 WeakPolarHBondContact O-CB 3.33Å; V420-Y423 PolarHBondContact O-N 2.89Å; Y423-K425 PolarHBondContact O-N 3.46Å; Y423-K425 VanDerWaalsContact O-N 3.11Å; Y423-S426 PolarHBondContact O-N 3.25Å; Y423-S426 PolarHBondContact O-OG 2.86Å; Y423-V427 HydrophobicContact CD1-CG2 3.94Å; Y423-V427 HydrophobicContact CD2-CG1 4.41Å; Y423-V427 HydrophobicContact CD2-CG2 4.08Å; Y423-V427 HydrophobicContact CE1-CG2 3.57Å; Y423-V427 HydrophobicContact CE2-CB 4.48Å; Y423-V427 HydrophobicContact CE2-CG1 3.96Å; Y423-V427 HydrophobicContact CE2-CG2 3.72Å; Y423-V427 HydrophobicContact CG-CG2 4.18Å; Y423-V427 VanDerWaalsContact CZ-CG2 3.45Å; Y423-V427 WeakPolarHBondContact O-CG2 3.38Å; Y423-V427 PolarHBondContact O-N 3.39Å; Y423-L431 HydrophobicContact CE1-CD2 3.86Å; Y423-F531 HydrophobicContact CE1-CD1 4.45Å; Y423-C532 WeakPolarHBondContact CE2-O 3.46Å; Y423-C532 PolarHBondContact OH-O 3.4Å; Y423-A534 HydrophobicContact CD2-CB 4.24Å; Y423-A534 HydrophobicContact CE2-CB 4.03Å; Y423-W537 HydrophobicContact CD1-CZ3 4.39Å; Y423-W537 HydrophobicContact CG-CE3 4.43Å; Y423-W537 HydrophobicContact CG-CZ3 4.2Å; Y423-D538 HydrophobicContact CD2-CB 3.68Å; Y423-D538 HydrophobicContact CE2-CB 3.54Å; Y423-P539 HydrophobicContact CD1-CG 4.21Å; Y423-P539 HydrophobicContact CE1-CG 3.59Å; Y423-P539 VanDerWaalsContact CE2-CD 3.47Å; Y423-P539 HydrophobicContact CE2-CG 4.44Å
424	L	98.1	Very high	96.6	Very high	35 Å²	35	67.3 Å²	67.3	18%	0.183	37%	0.373	C	S	.	.	H	α-helix	trans	-56.4	-34.4	-176.3	-68.3	175.3	0	0	0	112.5	F406 V420 K428 L431 F437 T439	F406-L424 HydrophobicContact CZ-CD2 4.06Å; V420-L424 HydrophobicContact CG1-CD1 3.92Å; V420-L424 HydrophobicContact CG1-CG 4.26Å; V420-L424 WeakPolarHBondContact O-CG 3.38Å; V420-L424 PolarHBondContact O-N 2.88Å; L424-K428 PolarHBondContact O-N 3.38Å; L424-L431 HydrophobicContact CD2-CD1 3.93Å; L424-L431 HydrophobicContact CD2-CD2 4.05Å; L424-F437 HydrophobicContact CD2-CE2 4.12Å; L424-F437 HydrophobicContact CD2-CZ 4.46Å; L424-T439 HydrophobicContact CD1-CG2 4.01Å; L424-T439 HydrophobicContact CD2-CG2 4.23Å
425	K	97.5	Very high	96.5	Very high	180 Å²	180	62.9 Å²	62.9	78%	0.783	36%	0.361	S	S	*	.	H	α-helix	trans	-71.3	-44.1	174.6	-175.2	179.6	178.6	-177.9	0	112.3	E421 G422 Y423	E421-K425 VanDerWaalsContact O-CB 3.25Å; E421-K425 WeakPolarHBondContact O-CB 3.49Å; E421-K425 PolarHBondContact O-N 3.35Å; G422-K425 PolarHBondContact O-N 3.38Å; Y423-K425 PolarHBondContact O-N 3.46Å; Y423-K425 VanDerWaalsContact O-N 3.11Å
426	S	96.6	Very high	96.5	Very high	75 Å²	75	60.6 Å²	60.6	52%	0.524	35%	0.352	S	S	.	.	H	α-helix	trans	-69.3	-37.1	-175	71.7	0	0	0	0	113.4	G422 Y423	G422-S426 WeakPolarHBondContact O-CB 3.31Å; G422-S426 PolarHBondContact O-N 3.36Å; G422-S426 PolarHBondContact O-OG 2.73Å; Y423-S426 PolarHBondContact O-N 3.25Å; Y423-S426 PolarHBondContact O-OG 2.86Å
427	V	95.9	Very high	96.4	Very high	14 Å²	14	61.2 Å²	61.2	9%	0.085	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	15.7	-175.9	-64.2	0	0	0	0	113.6	Y423 A429 T430 L431 A534	Y423-V427 HydrophobicContact CD1-CG2 3.94Å; Y423-V427 HydrophobicContact CD2-CG1 4.41Å; Y423-V427 HydrophobicContact CD2-CG2 4.08Å; Y423-V427 HydrophobicContact CE1-CG2 3.57Å; Y423-V427 HydrophobicContact CE2-CB 4.48Å; Y423-V427 HydrophobicContact CE2-CG1 3.96Å; Y423-V427 HydrophobicContact CE2-CG2 3.72Å; Y423-V427 HydrophobicContact CG-CG2 4.18Å; Y423-V427 VanDerWaalsContact CZ-CG2 3.45Å; Y423-V427 WeakPolarHBondContact O-CG2 3.38Å; Y423-V427 PolarHBondContact O-N 3.39Å; V427-A429 PolarHBondContact O-N 2.94Å; V427-T430 CarbonylContact O-C 3.42Å; V427-T430 PolarHBondContact O-N 2.77Å; V427-T430 PolarHBondContact O-OG1 2.77Å; V427-L431 HydrophobicContact CG2-CD2 3.56Å; V427-L431 HydrophobicContact CG2-CG 3.81Å; V427-L431 PolarHBondContact O-N 2.74Å; V427-A534 HydrophobicContact CG1-CB 3.59Å
428	K	94.3	Very high	96.4	Very high	171 Å²	171	61.5 Å²	61.5	74%	0.743	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-35	-173.5	-176	177.1	178.7	179.5	0	114.5	L424	L424-K428 PolarHBondContact O-N 3.38Å
429	A	92	Very high	96.3	Very high	104 Å²	104	59.6 Å²	59.6	86%	0.86	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.8	-179.4	0	0	0	0	0	114.3	V427	V427-A429 PolarHBondContact O-N 2.94Å
430	T	90.4	Very high	96.3	Very high	96 Å²	96	62.9 Å²	62.9	59%	0.589	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	6.9	-175.8	57	0	0	0	0	112.5	V427	V427-T430 CarbonylContact O-C 3.42Å; V427-T430 PolarHBondContact O-N 2.77Å; V427-T430 PolarHBondContact O-OG1 2.77Å
431	L	94.7	Very high	96.3	Very high	43 Å²	43	63 Å²	63	23%	0.225	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-63.8	142.1	174.5	-81.6	175	0	0	0	110.4	Y423 L424 V427 F437	Y423-L431 HydrophobicContact CE1-CD2 3.86Å; L424-L431 HydrophobicContact CD2-CD1 3.93Å; L424-L431 HydrophobicContact CD2-CD2 4.05Å; V427-L431 HydrophobicContact CG2-CD2 3.56Å; V427-L431 HydrophobicContact CG2-CG 3.81Å; V427-L431 PolarHBondContact O-N 2.74Å; L431-F437 HydrophobicContact CD2-CZ 4.41Å
432	P	95.8	Very high	96.3	Very high	15 Å²	15	57.3 Å²	57.3	10%	0.097	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-54.1	157.2	165.3	-27.3	38.2	0	0	0	111.5	F368 Q434 F437 F531	F368-P432 HydrophobicContact CE2-CB 3.52Å; F368-P432 HydrophobicContact CE2-CG 3.64Å; F368-P432 HydrophobicContact CZ-CB 3.67Å; F368-P432 HydrophobicContact CZ-CG 3.83Å; P432-Q434 PolarHBondContact O-N 2.75Å; P432-F437 HydrophobicContact CB-CE1 4.48Å; P432-F437 WeakPolarHBondContact O-CE1 3.28Å; P432-F531 HydrophobicContact CG-CD1 3.98Å; P432-F531 HydrophobicContact CG-CE1 4.09Å
433	P	95.9	Very high	96.3	Very high	54 Å²	54	55.5 Å²	55.5	35%	0.351	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-58	138.8	177.9	-19	29.7	0	0	0	110.9	S435 Y436 V526	P433-S435 PolarHBondContact O-N 2.86Å; P433-Y436 HydrophobicContact CB-CD2 3.92Å; P433-Y436 HydrophobicContact CB-CE2 4.31Å; P433-Y436 HydrophobicContact CG-CD2 3.99Å; P433-Y436 HydrophobicContact CG-CE2 4.1Å; P433-Y436 WeakPolarHBondContact O-CB 3.39Å; P433-Y436 PolarHBondContact O-N 3.18Å; P433-V526 HydrophobicContact CG-CG1 4.22Å
434	Q	94.8	Very high	96.3	Very high	109 Å²	109	55.2 Å²	55.2	51%	0.509	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-55.6	-26.1	-175	-174.2	60.1	60.8	0	0	113.8	P432 Y436 F437	P432-Q434 PolarHBondContact O-N 2.75Å; Q434-Y436 PolarHBondContact O-N 3.26Å; Q434-F437 PolarHBondContact NE2-O 3.49Å; Q434-F437 PolarHBondContact O-N 2.69Å
435	S	95.2	Very high	96.4	Very high	75 Å²	75	53.6 Å²	53.6	52%	0.524	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-63.9	-18.1	175.4	60.6	0	0	0	0	114.1	T367 P433	T367-S435 PolarHBondContact OG1-O 2.95Å; P433-S435 PolarHBondContact O-N 2.86Å
436	Y	97.6	Very high	96.4	Very high	2 Å²	2	45 Å²	45	1%	0.008	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-84.8	-13.2	-178.1	-79.3	-105.1	0	0	0	113.5	N366 T367 F368 P433 Q434 C521 D523 K525 V526	N366-Y436 HydrophobicContact CB-CE1 3.9Å; T367-Y436 VanDerWaalsContact OG1-C 3.28Å; T367-Y436 WeakPolarHBondContact OG1-CA 3.39Å; T367-Y436 PolarHBondContact OG1-O 3.27Å; F368-Y436 WeakPolarHBondContact CB-O 3.25Å; F368-Y436 AromaticContact CD1-CD1 3.78Å; F368-Y436 HydrophobicContact CD1-CD1 3.78Å; F368-Y436 AromaticContact CE1-CD1 3.63Å; F368-Y436 HydrophobicContact CE1-CD1 3.63Å; F368-Y436 HydrophobicContact CE1-CE1 4.43Å; F368-Y436 HydrophobicContact CE1-CG 4.33Å; F368-Y436 HydrophobicContact CG-CD1 4.37Å; F368-Y436 WeakPolarHBondContact CG-O 3.25Å; F368-Y436 HydrophobicContact CZ-CD1 4.1Å; F368-Y436 HydrophobicContact CZ-CG 4.38Å; F368-Y436 PolarHBondContact N-O 3.37Å; P433-Y436 HydrophobicContact CB-CD2 3.92Å; P433-Y436 HydrophobicContact CB-CE2 4.31Å; P433-Y436 HydrophobicContact CG-CD2 3.99Å; P433-Y436 HydrophobicContact CG-CE2 4.1Å; P433-Y436 WeakPolarHBondContact O-CB 3.39Å; P433-Y436 PolarHBondContact O-N 3.18Å; Q434-Y436 PolarHBondContact O-N 3.26Å; Y436-C521 HydrophobicContact CE1-CB 4.15Å; Y436-D523 VanDerWaalsContact OH-CG 3.28Å; Y436-D523 PolarHBondContact OH-OD1 2.99Å; Y436-D523 PolarHBondContact OH-OD2 2.93Å; Y436-K525 HydrophobicContact CE2-CB 4.15Å; Y436-K525 HydrophobicContact CE2-CD 3.91Å; Y436-K525 WeakPolarHBondContact OH-CB 3.18Å; Y436-K525 WeakPolarHBondContact OH-CD 3.42Å; Y436-V526 HydrophobicContact CD1-CG1 3.96Å; Y436-V526 HydrophobicContact CD1-CG2 4.35Å; Y436-V526 HydrophobicContact CD2-CG1 4.1Å; Y436-V526 HydrophobicContact CE1-CB 4.44Å; Y436-V526 HydrophobicContact CE1-CG1 3.74Å; Y436-V526 HydrophobicContact CE1-CG2 3.79Å; Y436-V526 HydrophobicContact CE2-CG1 3.9Å; Y436-V526 HydrophobicContact CG-CG1 4.15Å
437	F	97.6	Very high	96.5	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.057	25%	0.245	C	C	.	.			trans	-157.6	158.4	-174.5	69.8	-74.1	0	0	0	113.9	F368 F406 L424 L431 P432 Q434 T439 F531	F368-F437 HydrophobicContact CD2-CB 4.15Å; F406-F437 AromaticContact CD2-CD2 3.58Å; F406-F437 HydrophobicContact CD2-CD2 3.58Å; F406-F437 HydrophobicContact CD2-CE2 4.22Å; F406-F437 HydrophobicContact CD2-CG 4.41Å; F406-F437 AromaticContact CE2-CD2 3.82Å; F406-F437 HydrophobicContact CE2-CD2 3.82Å; F406-F437 AromaticContact CE2-CE2 3.99Å; F406-F437 HydrophobicContact CE2-CE2 3.99Å; F406-F437 HydrophobicContact CG-CD2 4.03Å; F406-F437 HydrophobicContact CZ-CD2 4.41Å; F406-F437 HydrophobicContact CZ-CE2 4.29Å; L424-F437 HydrophobicContact CD2-CE2 4.12Å; L424-F437 HydrophobicContact CD2-CZ 4.46Å; L431-F437 HydrophobicContact CD2-CZ 4.41Å; P432-F437 HydrophobicContact CB-CE1 4.48Å; P432-F437 WeakPolarHBondContact O-CE1 3.28Å; Q434-F437 PolarHBondContact NE2-O 3.49Å; Q434-F437 PolarHBondContact O-N 2.69Å; F437-T439 HydrophobicContact CD2-CG2 4.02Å; F437-T439 HydrophobicContact CE2-CG2 3.33Å; F437-T439 HydrophobicContact CZ-CG2 3.93Å; F437-F531 HydrophobicContact CB-CZ 3.83Å; F437-F531 HydrophobicContact CD1-CE1 4.15Å; F437-F531 HydrophobicContact CD1-CZ 4.1Å; F437-F531 AromaticContact CD2-CE1 3.98Å; F437-F531 HydrophobicContact CD2-CE1 3.98Å; F437-F531 AromaticContact CD2-CZ 3.83Å; F437-F531 HydrophobicContact CD2-CZ 3.83Å; F437-F531 HydrophobicContact CE1-CE1 4.27Å; F437-F531 HydrophobicContact CE2-CE1 4.06Å; F437-F531 HydrophobicContact CE2-CZ 4.38Å; F437-F531 HydrophobicContact CG-CE1 4.03Å; F437-F531 AromaticContact CG-CZ 3.66Å; F437-F531 HydrophobicContact CG-CZ 3.66Å; F437-F531 HydrophobicContact CZ-CE1 4.23Å
438	N	97.4	Very high	96.7	Very high	50 Å²	50	40.8 Å²	40.8	27%	0.267	24%	0.241	S	C	.	.			trans	-99.7	102.5	179.8	-179.7	8.3	0	0	0	111.7	F406 S407 N408 S440 G441	F406-N438 WeakPolarHBondContact CB-O 3.41Å; F406-N438 WeakPolarHBondContact CD1-O 3.31Å; S407-N438 PolarHBondContact O-ND2 2.88Å; N408-N438 WeakPolarHBondContact OD1-CB 3.47Å; N438-S440 PolarHBondContact O-N 3.24Å; N438-S440 VanDerWaalsContact O-N 3.12Å; N438-S440 WeakPolarHBondContact OD1-CB 3.36Å; N438-S440 PolarHBondContact OD1-N 2.83Å; N438-G441 PolarHBondContact O-N 2.96Å; N438-G441 VanDerWaalsContact O-N 3.11Å
439	T	96.5	Very high	96.9	Very high	42 Å²	42	32.7 Å²	32.7	26%	0.258	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.3	179.6	47.2	0	0	0	0	114.5	L424 F437 G441	L424-T439 HydrophobicContact CD1-CG2 4.01Å; L424-T439 HydrophobicContact CD2-CG2 4.23Å; F437-T439 HydrophobicContact CD2-CG2 4.02Å; F437-T439 HydrophobicContact CE2-CG2 3.33Å; F437-T439 HydrophobicContact CZ-CG2 3.93Å; T439-G441 VanDerWaalsContact C-N 3.31Å
440	S	97.8	Very high	97.2	Very high	80 Å²	80	27.8 Å²	27.8	56%	0.559	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.5	177.9	-55.8	0	0	0	0	113	M412 N438	M412-S440 PolarHBondContact N-O 3.35Å; N438-S440 PolarHBondContact O-N 3.24Å; N438-S440 VanDerWaalsContact O-N 3.12Å; N438-S440 WeakPolarHBondContact OD1-CB 3.36Å; N438-S440 PolarHBondContact OD1-N 2.83Å
441	G	98.6	Very high	97.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	162.1	-173.5	0	0	0	0	0	114.7	S407 F410 N438 T439 A443	S407-G441 WeakPolarHBondContact O-CA 3.4Å; F410-G441 CarbonylContact O-C 3.51Å; F410-G441 WeakPolarHBondContact O-CA 3.29Å; N438-G441 PolarHBondContact O-N 2.96Å; N438-G441 VanDerWaalsContact O-N 3.11Å; T439-G441 VanDerWaalsContact C-N 3.31Å; G441-A443 PolarHBondContact O-N 2.68Å
442	R	98.8	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	111.7	164.7	-176.4	-72.4	-159.7	-113.1	2.6	108.7	S375 S376 P377 V379 T381 S407 F410 P413 Y444 D446	S375-R442 WeakPolarHBondContact O-CB 3.36Å; S375-R442 VanDerWaalsContact O-CD 3.29Å; S375-R442 WeakPolarHBondContact O-CD 3.32Å; S375-R442 WeakPolarHBondContact O-CG 3.43Å; S376-R442 PolarHBondContact O-NE 3.2Å; S376-R442 PolarHBondContact O-NH2 2.74Å; P377-R442 HydrophobicContact CB-CG 4.14Å; V379-R442 PolarHBondContact O-NH2 2.92Å; T381-R442 PolarHBondContact OG1-NH2 2.83Å; S407-R442 WeakPolarHBondContact CB-O 3.35Å; S407-R442 PolarHBondContact N-O 3.29Å; F410-R442 HydrophobicContact CB-CB 4.27Å; F410-R442 PolarHBondContact O-N 3.37Å; P413-R442 HydrophobicContact CG-CG 4.4Å; R442-Y444 VanDerWaalsContact CZ-CB 3.47Å; R442-D446 IonicContact CZ-OD1 3.61Å; R442-D446 IonicContact CZ-OD2 2.76Å; R442-D446 IonicContact NH1-OD1 2.74Å; R442-D446 PolarHBondContact NH1-OD1 3.4Å; R442-D446 IonicContact NH1-OD2 2.88Å; R442-D446 IonicContact NH2-OD1 3.53Å; R442-D446 PolarHBondContact NH2-OD1 3.42Å; R442-D446 IonicContact NH2-OD2 2.61Å; R442-D446 PolarHBondContact NH2-OD2 3.24Å
443	A	98.9	Very high	97.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.3	174.9	0	0	0	0	0	112.2	G405 F406 Q416 V420 G441 W537	G405-A443 CarbonylContact O-C 3.55Å; G405-A443 WeakPolarHBondContact O-CA 3.48Å; F406-A443 HydrophobicContact CD1-CB 3.48Å; F406-A443 VanDerWaalsContact CD1-CB 3.48Å; F406-A443 HydrophobicContact CD2-CB 4.43Å; F406-A443 HydrophobicContact CE1-CB 3.44Å; F406-A443 VanDerWaalsContact CE1-CB 3.44Å; F406-A443 HydrophobicContact CE2-CB 4.39Å; F406-A443 HydrophobicContact CG-CB 3.99Å; F406-A443 HydrophobicContact CZ-CB 3.91Å; Q416-A443 PolarHBondContact NE2-O 3.14Å; Q416-A443 PolarHBondContact OE1-O 3.12Å; V420-A443 HydrophobicContact CG1-CB 4.49Å; V420-A443 HydrophobicContact CG2-CB 3.8Å; G441-A443 PolarHBondContact O-N 2.68Å; A443-W537 HydrophobicContact CB-CH2 3.39Å; A443-W537 HydrophobicContact CB-CZ2 3.88Å; A443-W537 HydrophobicContact CB-CZ3 4.38Å
444	Y	98.9	Very high	97.3	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	163.2	-173.8	72.7	-91.2	0	0	0	110.9	P370 S371 A374 T381 G404 G405 R442 P539	P370-Y444 VanDerWaalsContact CA-OH 3.3Å; P370-Y444 WeakPolarHBondContact CA-OH 3.23Å; P370-Y444 HydrophobicContact CB-CE1 3.91Å; S371-Y444 PolarHBondContact N-OH 3.08Å; A374-Y444 HydrophobicContact CB-CD2 4.27Å; A374-Y444 HydrophobicContact CB-CE2 4.03Å; T381-Y444 HydrophobicContact CG2-CD2 3.7Å; T381-Y444 HydrophobicContact CG2-CG 4.28Å; G404-Y444 VanDerWaalsContact CA-CE2 3.41Å; G404-Y444 VanDerWaalsContact CA-O 3.3Å; G404-Y444 WeakPolarHBondContact CA-O 3.49Å; G405-Y444 PolarHBondContact N-O 2.55Å; G405-Y444 WeakPolarHBondContact O-CD1 3.47Å; G405-Y444 PolarHBondContact O-N 2.6Å; R442-Y444 VanDerWaalsContact CZ-CB 3.47Å; Y444-P539 CarbonylContact O-C 3.57Å; Y444-P539 VanDerWaalsContact O-CA 3.27Å; Y444-P539 WeakPolarHBondContact O-CA 3.31Å
445	P	98.9	Very high	97.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.			cis	-79.1	176.5	5.7	32.3	-32.5	0	0	0	114.1	T381 W537 V540 G542	T381-P445 HydrophobicContact CG2-CB 4.01Å; T381-P445 WeakPolarHBondContact O-CB 3.29Å; P445-W537 PolarHBondContact O-NE1 3.49Å; P445-V540 WeakPolarHBondContact CG-O 3.49Å; P445-G542 WeakPolarHBondContact O-CA 3.3Å
446	D	98.9	Very high	97.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-95.6	-36.5	176.6	-53.6	-55.5	0	0	0	111.4	T380 T381 R442 N499 L502 Y503 W543	T380-D446 WeakPolarHBondContact CA-OD2 3.14Å; T380-D446 HydrophobicContact CG2-CB 4.23Å; T381-D446 PolarHBondContact N-OD2 3.13Å; T381-D446 PolarHBondContact O-N 3.25Å; R442-D446 IonicContact CZ-OD1 3.61Å; R442-D446 IonicContact CZ-OD2 2.76Å; R442-D446 IonicContact NH1-OD1 2.74Å; R442-D446 PolarHBondContact NH1-OD1 3.4Å; R442-D446 IonicContact NH1-OD2 2.88Å; R442-D446 IonicContact NH2-OD1 3.53Å; R442-D446 PolarHBondContact NH2-OD1 3.42Å; R442-D446 IonicContact NH2-OD2 2.61Å; R442-D446 PolarHBondContact NH2-OD2 3.24Å; D446-N499 VanDerWaalsContact CG-ND2 3.27Å; D446-N499 PolarHBondContact OD1-ND2 3.15Å; D446-N499 PolarHBondContact OD2-ND2 3.08Å; D446-L502 HydrophobicContact CB-CD2 3.98Å; D446-Y503 HydrophobicContact CB-CE2 4.29Å; D446-Y503 WeakPolarHBondContact OD1-CE2 3.37Å; D446-Y503 PolarHBondContact OD1-OH 3.41Å; D446-Y503 VanDerWaalsContact OD1-OH 3.08Å; D446-W543 PolarHBondContact O-N 2.73Å
447	M	98.4	Very high	97.2	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	173.8	177.4	-60	-173.6	62.7	0	0	109.9	T380 T381 V382 G383 V476 L498 L502 L510 T541 L551	T380-M447 HydrophobicContact CG2-SD 4.47Å; T381-M447 PolarHBondContact O-N 3.5Å; V382-M447 CarbonylContact C-O 3.1Å; V382-M447 WeakPolarHBondContact CA-O 3.41Å; G383-M447 PolarHBondContact N-O 3.11Å; M447-V476 HydrophobicContact CE-CG1 4.2Å; M447-V476 HydrophobicContact SD-CG1 4.22Å; M447-L498 HydrophobicContact SD-CD2 4.09Å; M447-L502 HydrophobicContact CG-CD1 4.3Å; M447-L502 HydrophobicContact CG-CD2 3.42Å; M447-L502 VanDerWaalsContact CG-CD2 3.42Å; M447-L502 HydrophobicContact SD-CD1 4.26Å; M447-L502 HydrophobicContact SD-CD2 3.92Å; M447-L510 HydrophobicContact CE-CD1 4.1Å; M447-L510 HydrophobicContact CE-CD2 3.43Å; M447-L510 VanDerWaalsContact CE-CD2 3.43Å; M447-L510 HydrophobicContact CE-CG 4.44Å; M447-T541 CarbonylContact C-O 3.49Å; M447-T541 VanDerWaalsContact C-O 3.28Å; M447-L551 HydrophobicContact CE-CD2 4.27Å
448	A	98.9	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	168.1	169.8	0	0	0	0	0	112.2	G383 T385 T541 G544 T545 P546	G383-A448 WeakPolarHBondContact O-CA 3.31Å; T385-A448 HydrophobicContact CG2-CB 4Å; A448-T541 HydrophobicContact CB-CG2 4.41Å; A448-T541 WeakPolarHBondContact CB-O 3.29Å; A448-T541 PolarHBondContact N-O 2.84Å; A448-G544 PolarHBondContact N-O 3.39Å; A448-T545 HydrophobicContact CB-CG2 4.1Å; A448-T545 VanDerWaalsContact O-CA 3.28Å; A448-T545 WeakPolarHBondContact O-CA 3.42Å; A448-P546 VanDerWaalsContact O-CD 3.25Å; A448-P546 WeakPolarHBondContact O-CD 3.4Å
449	A	98.8	Very high	96.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-179	163.1	0	0	0	0	0	109.1	Y204 G383 G384 T385 S451 S472 V475 V476	Y204-A449 HydrophobicContact CE2-CB 4.24Å; Y204-A449 WeakPolarHBondContact OH-CA 3.32Å; G383-A449 PolarHBondContact O-N 3.46Å; G384-A449 CarbonylContact C-O 3.54Å; G384-A449 WeakPolarHBondContact CA-O 3.04Å; T385-A449 PolarHBondContact N-O 2.67Å; T385-A449 PolarHBondContact OG1-O 3.33Å; A449-S451 PolarHBondContact O-N 2.85Å; A449-S472 WeakPolarHBondContact O-CB 3.45Å; A449-V475 HydrophobicContact CB-CB 4.43Å; A449-V475 HydrophobicContact CB-CG1 3.84Å; A449-V476 HydrophobicContact CB-CG2 3.7Å
450	L	98.5	Very high	96.3	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	134	178.1	-77	167.2	0	0	0	109.2	V195 L200 R203 Y204 T385 F387 E396 Y454 S472	V195-L450 HydrophobicContact CG1-CD1 4.49Å; V195-L450 HydrophobicContact CG2-CD1 4.3Å; L200-L450 HydrophobicContact CD2-CB 4.19Å; L200-L450 HydrophobicContact CD2-CD1 3.92Å; R203-L450 HydrophobicContact CG-CD1 4.39Å; Y204-L450 WeakPolarHBondContact OH-CG 3.24Å; Y204-L450 PolarHBondContact OH-N 2.88Å; T385-L450 CarbonylContact O-C 3.44Å; T385-L450 VanDerWaalsContact O-CA 3.31Å; T385-L450 WeakPolarHBondContact O-CA 3.41Å; T385-L450 WeakPolarHBondContact OG1-CA 3.38Å; T385-L450 PolarHBondContact OG1-N 2.93Å; F387-L450 HydrophobicContact CD1-CD2 4.25Å; F387-L450 HydrophobicContact CD2-CD2 4.27Å; F387-L450 HydrophobicContact CE1-CD1 3.98Å; F387-L450 HydrophobicContact CE1-CD2 4.17Å; F387-L450 HydrophobicContact CE2-CD1 3.67Å; F387-L450 HydrophobicContact CE2-CD2 4.2Å; F387-L450 HydrophobicContact CG-CD2 4.3Å; F387-L450 HydrophobicContact CZ-CD1 3.35Å; F387-L450 HydrophobicContact CZ-CD2 4.16Å; F387-L450 HydrophobicContact CZ-CG 4.36Å; E396-L450 HydrophobicContact CG-CD2 3.98Å; E396-L450 WeakPolarHBondContact OE1-CG 3.1Å; L450-Y454 HydrophobicContact CB-CE2 4.09Å; L450-Y454 WeakPolarHBondContact CB-OH 3.28Å; L450-Y454 WeakPolarHBondContact O-CE2 3.5Å; L450-Y454 VanDerWaalsContact O-CZ 3.26Å; L450-Y454 PolarHBondContact O-OH 2.89Å; L450-S472 WeakPolarHBondContact O-CA 3.27Å; L450-S472 VanDerWaalsContact O-CB 3.31Å; L450-S472 WeakPolarHBondContact O-CB 3.33Å
451	S	96.8	Very high	96	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.			trans	-125.6	6.4	178.7	52.9	0	0	0	0	112.6	G384 T385 D399 A449 S467 G468	G384-S451 WeakPolarHBondContact CA-OG 3.23Å; T385-S451 PolarHBondContact N-OG 3.22Å; T385-S451 PolarHBondContact O-N 3.08Å; T385-S451 PolarHBondContact O-OG 2.72Å; D399-S451 VanDerWaalsContact CB-OG 3.27Å; D399-S451 WeakPolarHBondContact CB-OG 3.49Å; D399-S451 PolarHBondContact OD2-OG 2.99Å; A449-S451 PolarHBondContact O-N 2.85Å; S451-S467 CarbonylContact O-C 3.55Å; S451-S467 WeakPolarHBondContact O-CA 3.28Å; S451-S467 WeakPolarHBondContact O-CB 3.49Å; S451-G468 VanDerWaalsContact CB-O 3.29Å; S451-G468 WeakPolarHBondContact CB-O 3.35Å; S451-G468 PolarHBondContact O-N 3.3Å
452	D	93.9	Very high	95.8	Very high	40 Å²	40	23.2 Å²	23.2	21%	0.214	11%	0.114	C	C	.	.	S	Bend	trans	-122.5	138	-170.7	-167.3	31	0	0	0	113.2	V195 S467	V195-D452 WeakPolarHBondContact CG2-O 3.5Å; D452-S467 WeakPolarHBondContact CA-OG 3.4Å; D452-S467 PolarHBondContact OD1-OG 3.36Å
453	N	91.8	Very high	95.5	Very high	23 Å²	23	24.7 Å²	24.7	12%	0.123	12%	0.122	C	C	.	.	S	Bend	trans	63.8	39.8	168.9	-56.2	-45.6	0	0	0	116.7	G194 V195 W465 V466 S467	G194-N453 CarbonylContact C-O 3.55Å; G194-N453 WeakPolarHBondContact CA-O 3.41Å; V195-N453 PolarHBondContact N-O 2.91Å; N453-W465 HydrophobicContact CB-CE3 4.01Å; N453-W465 HydrophobicContact CB-CZ3 4.26Å; N453-W465 VanDerWaalsContact OD1-CE3 3.25Å; N453-V466 PolarHBondContact N-O 3.1Å; N453-S467 PolarHBondContact N-OG 2.99Å
454	Y	95.3	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	150.7	176.4	-75.5	-122.1	0	0	0	112.6	V195 L200 L269 Y273 L450 P464 W465 V466 A471 V475	V195-Y454 HydrophobicContact CB-CD2 3.99Å; V195-Y454 HydrophobicContact CB-CE2 4.16Å; V195-Y454 HydrophobicContact CB-CG 4.21Å; V195-Y454 HydrophobicContact CG1-CD1 4.17Å; V195-Y454 HydrophobicContact CG1-CD2 4.1Å; V195-Y454 HydrophobicContact CG1-CE1 3.91Å; V195-Y454 HydrophobicContact CG1-CE2 3.87Å; V195-Y454 HydrophobicContact CG1-CG 4.21Å; V195-Y454 HydrophobicContact CG2-CD2 4.47Å; V195-Y454 HydrophobicContact CG2-CE2 4.42Å; V195-Y454 WeakPolarHBondContact O-CA 3.23Å; L200-Y454 HydrophobicContact CD1-CE1 3.91Å; L200-Y454 HydrophobicContact CD2-CE1 4.45Å; L200-Y454 WeakPolarHBondContact CD2-OH 3.37Å; L269-Y454 HydrophobicContact CD1-CD1 4.03Å; L269-Y454 HydrophobicContact CD1-CG 4.31Å; Y273-Y454 AromaticContact CD1-CD1 3.7Å; Y273-Y454 HydrophobicContact CD1-CD1 3.7Å; Y273-Y454 AromaticContact CD1-CE1 3.54Å; Y273-Y454 HydrophobicContact CD1-CE1 3.54Å; Y273-Y454 AromaticContact CD2-CD1 3.89Å; Y273-Y454 HydrophobicContact CD2-CD1 3.89Å; Y273-Y454 HydrophobicContact CD2-CE1 4.41Å; Y273-Y454 AromaticContact CE1-CD1 3.3Å; Y273-Y454 HydrophobicContact CE1-CD1 3.3Å; Y273-Y454 AromaticContact CE1-CE1 3.46Å; Y273-Y454 HydrophobicContact CE1-CE1 3.46Å; Y273-Y454 VanDerWaalsContact CE1-CE1 3.46Å; Y273-Y454 HydrophobicContact CE1-CG 4.44Å; Y273-Y454 AromaticContact CE2-CD1 3.53Å; Y273-Y454 HydrophobicContact CE2-CD1 3.53Å; Y273-Y454 HydrophobicContact CE2-CE1 4.36Å; Y273-Y454 HydrophobicContact CE2-CG 4.41Å; Y273-Y454 AromaticContact CG-CD1 3.94Å; Y273-Y454 HydrophobicContact CG-CD1 3.94Å; Y273-Y454 AromaticContact CG-CE1 3.99Å; Y273-Y454 HydrophobicContact CG-CE1 3.99Å; Y273-Y454 AromaticContact CZ-CD1 3.19Å; Y273-Y454 AromaticContact CZ-CE1 3.88Å; Y273-Y454 WeakPolarHBondContact OH-CD1 3.45Å; L450-Y454 HydrophobicContact CB-CE2 4.09Å; L450-Y454 WeakPolarHBondContact CB-OH 3.28Å; L450-Y454 WeakPolarHBondContact O-CE2 3.5Å; L450-Y454 VanDerWaalsContact O-CZ 3.26Å; L450-Y454 PolarHBondContact O-OH 2.89Å; Y454-P464 CarbonylContact O-C 3.57Å; Y454-W465 PolarHBondContact O-N 3.29Å; Y454-W465 VanDerWaalsContact O-N 3.07Å; Y454-V466 WeakPolarHBondContact CB-O 3.13Å; Y454-V466 PolarHBondContact N-O 3.22Å; Y454-V466 PolarHBondContact O-N 3.48Å; Y454-A471 HydrophobicContact CD1-CB 3.83Å; Y454-A471 HydrophobicContact CD2-CB 3.77Å; Y454-A471 HydrophobicContact CE1-CB 3.79Å; Y454-A471 HydrophobicContact CE2-CB 3.68Å; Y454-A471 HydrophobicContact CG-CB 3.89Å; Y454-V475 HydrophobicContact CE1-CG2 4.12Å
455	W	96	Very high	94.5	Very high	52 Å²	52	28.7 Å²	28.7	20%	0.197	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.7	165.1	-79	87.5	0	0	0	109.6	L193 V195 T196 F237 F241 Y273 P462 I463 P464	L193-W455 HydrophobicContact CD2-CZ2 4.06Å; L193-W455 HydrophobicContact CG-CZ2 4.5Å; L193-W455 PolarHBondContact O-NE1 2.85Å; V195-W455 PolarHBondContact O-N 2.83Å; T196-W455 HydrophobicContact CG2-CB 4.41Å; T196-W455 HydrophobicContact CG2-CG 4.25Å; F237-W455 WeakPolarHBondContact CE2-O 3.19Å; F241-W455 HydrophobicContact CE2-CB 4.13Å; F241-W455 HydrophobicContact CZ-CB 3.87Å; F241-W455 HydrophobicContact CZ-CD2 4.39Å; F241-W455 HydrophobicContact CZ-CG 4.16Å; Y273-W455 WeakPolarHBondContact CE2-O 3.25Å; Y273-W455 PolarHBondContact OH-N 3.36Å; Y273-W455 PolarHBondContact OH-O 3.04Å; W455-P462 HydrophobicContact CE3-CB 4.06Å; W455-P462 HydrophobicContact CZ3-CB 4Å; W455-I463 WeakPolarHBondContact CA-O 3.18Å; W455-P464 HydrophobicContact CD2-CB 3.81Å; W455-P464 HydrophobicContact CE3-CB 3.88Å; W455-P464 HydrophobicContact CE3-CG 4.32Å; W455-P464 HydrophobicContact CH2-CB 3.83Å; W455-P464 HydrophobicContact CH2-CG 3.86Å; W455-P464 HydrophobicContact CZ2-CB 3.75Å; W455-P464 HydrophobicContact CZ2-CG 4.26Å; W455-P464 HydrophobicContact CZ3-CB 3.88Å; W455-P464 HydrophobicContact CZ3-CG 3.89Å
456	V	95.1	Very high	94.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	159.7	173.5	-58.5	0	0	0	0	110	L265 L269 E272 Y273 P462 I463 V466	L265-V456 HydrophobicContact CD1-CG2 3.34Å; L265-V456 HydrophobicContact CG-CG2 4.22Å; L269-V456 HydrophobicContact CB-CG1 3.93Å; L269-V456 HydrophobicContact CD1-CG1 3.56Å; L269-V456 HydrophobicContact CG-CG1 4.37Å; E272-V456 WeakPolarHBondContact OE2-CA 3.48Å; E272-V456 VanDerWaalsContact OE2-CB 3.25Å; E272-V456 WeakPolarHBondContact OE2-CB 3.44Å; Y273-V456 HydrophobicContact CE2-CG1 4.13Å; V456-P462 CarbonylContact O-C 3.53Å; V456-P462 WeakPolarHBondContact O-CA 3.49Å; V456-I463 HydrophobicContact CG2-CB 3.92Å; V456-I463 PolarHBondContact N-O 2.81Å; V456-I463 PolarHBondContact O-N 3.09Å; V456-V466 HydrophobicContact CB-CG2 4.48Å; V456-V466 HydrophobicContact CG1-CB 4.29Å; V456-V466 HydrophobicContact CG1-CG1 4.41Å; V456-V466 HydrophobicContact CG1-CG2 4.08Å; V456-V466 HydrophobicContact CG2-CG2 3.62Å
457	V	95.1	Very high	93.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.2	164.5	-178.2	0	0	0	0	108.2	D233 E236 F237 M240 S268 E272 V461	D233-V457 HydrophobicContact CB-CB 4.44Å; D233-V457 HydrophobicContact CB-CG1 4.03Å; E236-V457 HydrophobicContact CB-CG1 4.3Å; E236-V457 HydrophobicContact CG-CG1 4.32Å; F237-V457 HydrophobicContact CB-CB 4.03Å; F237-V457 HydrophobicContact CB-CG2 3.73Å; F237-V457 HydrophobicContact CD2-CG2 4.04Å; F237-V457 HydrophobicContact CG-CG2 4.39Å; M240-V457 HydrophobicContact CE-CB 4.46Å; M240-V457 HydrophobicContact CE-CG2 3.05Å; S268-V457 VanDerWaalsContact CB-O 3.23Å; S268-V457 WeakPolarHBondContact CB-O 3.32Å; S268-V457 PolarHBondContact OG-O 3.27Å; E272-V457 WeakPolarHBondContact OE1-CA 3.2Å; E272-V457 WeakPolarHBondContact OE1-CB 3.43Å; E272-V457 PolarHBondContact OE1-N 2.92Å; E272-V457 PolarHBondContact OE2-N 3.22Å; V457-V461 WeakPolarHBondContact CA-O 3.27Å
458	S	91.6	Very high	93.4	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.028	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130	173.6	-167.1	0	0	0	0	109.9	S268 R460 V461	S268-S458 PolarHBondContact OG-OG 3.26Å; S458-R460 VanDerWaalsContact C-N 3.27Å; S458-R460 PolarHBondContact O-N 3.2Å; S458-V461 PolarHBondContact N-O 2.94Å; S458-V461 PolarHBondContact O-N 2.96Å; S458-V461 VanDerWaalsContact O-N 3.15Å
459	N	89.9	Confident	93.3	Very high	78 Å²	78	29.5 Å²	29.5	42%	0.417	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	42.7	-172.1	-55.5	-84.4	0	0	0	112	D233 A263 V461	D233-N459 PolarHBondContact OD2-N 3.06Å; A263-N459 PolarHBondContact N-OD1 3.22Å; A263-N459 PolarHBondContact O-ND2 3.14Å; N459-V461 PolarHBondContact O-N 2.66Å
460	R	91.1	Very high	93	Very high	155 Å²	155	30 Å²	30	59%	0.585	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	28.8	-175.4	-58.7	-172	179.9	151.5	-0.6	115	D233 E236 S458	D233-R460 PolarHBondContact OD1-N 3.02Å; E236-R460 WeakPolarHBondContact OE2-CA 3.37Å; E236-R460 WeakPolarHBondContact OE2-CB 3.21Å; E236-R460 WeakPolarHBondContact OE2-CG 3.33Å; S458-R460 VanDerWaalsContact C-N 3.27Å; S458-R460 PolarHBondContact O-N 3.2Å
461	V	92.5	Very high	92.9	Very high	79 Å²	79	29.9 Å²	29.9	48%	0.479	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.8	176.1	179.7	0	0	0	0	108.6	V457 S458 N459 I463	V457-V461 WeakPolarHBondContact CA-O 3.27Å; S458-V461 PolarHBondContact N-O 2.94Å; S458-V461 PolarHBondContact O-N 2.96Å; S458-V461 VanDerWaalsContact O-N 3.15Å; N459-V461 PolarHBondContact O-N 2.66Å; V461-I463 HydrophobicContact CG1-CG1 4.26Å; V461-I463 PolarHBondContact O-N 3.11Å
462	P	93.4	Very high	93	Very high	53 Å²	53	29.9 Å²	29.9	34%	0.344	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.8	170.2	29	-33	0	0	0	109.8	M240 W455 V456	M240-P462 HydrophobicContact CE-CB 4.11Å; M240-P462 HydrophobicContact SD-CB 4.48Å; W455-P462 HydrophobicContact CE3-CB 4.06Å; W455-P462 HydrophobicContact CZ3-CB 4Å; V456-P462 CarbonylContact O-C 3.53Å; V456-P462 WeakPolarHBondContact O-CA 3.49Å
463	I	91.9	Very high	93.2	Very high	32 Å²	32	28 Å²	28	16%	0.164	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	112.3	-176.7	-59.8	172	0	0	0	108.4	L265 W455 V456 V461 V466	L265-I463 HydrophobicContact CD1-CB 4.23Å; L265-I463 HydrophobicContact CD1-CD1 3.69Å; L265-I463 HydrophobicContact CD1-CG2 4Å; W455-I463 WeakPolarHBondContact CA-O 3.18Å; V456-I463 HydrophobicContact CG2-CB 3.92Å; V456-I463 PolarHBondContact N-O 2.81Å; V456-I463 PolarHBondContact O-N 3.09Å; V461-I463 HydrophobicContact CG1-CG1 4.26Å; V461-I463 PolarHBondContact O-N 3.11Å; I463-V466 HydrophobicContact CG2-CG2 4.19Å
464	P	91	Very high	93.5	Very high	33 Å²	33	26.9 Å²	26.9	21%	0.214	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	174.3	171.2	30.2	-30.1	0	0	0	112	Y454 W455 V466	Y454-P464 CarbonylContact O-C 3.57Å; W455-P464 HydrophobicContact CD2-CB 3.81Å; W455-P464 HydrophobicContact CE3-CB 3.88Å; W455-P464 HydrophobicContact CE3-CG 4.32Å; W455-P464 HydrophobicContact CH2-CB 3.83Å; W455-P464 HydrophobicContact CH2-CG 3.86Å; W455-P464 HydrophobicContact CZ2-CB 3.75Å; W455-P464 HydrophobicContact CZ2-CG 4.26Å; W455-P464 HydrophobicContact CZ3-CB 3.88Å; W455-P464 HydrophobicContact CZ3-CG 3.89Å; P464-V466 VanDerWaalsContact C-N 3.32Å; P464-V466 PolarHBondContact O-N 3.45Å
465	W	86.6	Confident	93.7	Very high	51 Å²	51	26.9 Å²	26.9	19%	0.193	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.7	28.9	170.3	-39.6	112.4	0	0	0	114.2	L193 N453 Y454	L193-W465 HydrophobicContact CD1-CH2 3.4Å; L193-W465 VanDerWaalsContact CD1-CH2 3.4Å; L193-W465 HydrophobicContact CD1-CZ2 3.64Å; L193-W465 HydrophobicContact CD2-CZ2 4.09Å; L193-W465 HydrophobicContact CG-CH2 3.94Å; L193-W465 HydrophobicContact CG-CZ2 3.91Å; N453-W465 HydrophobicContact CB-CE3 4.01Å; N453-W465 HydrophobicContact CB-CZ3 4.26Å; N453-W465 VanDerWaalsContact OD1-CE3 3.25Å; Y454-W465 PolarHBondContact O-N 3.29Å; Y454-W465 VanDerWaalsContact O-N 3.07Å
466	V	90.1	Very high	93.8	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.7	170.7	-174	0	0	0	0	108.2	A180 L265 L269 N453 Y454 V456 I463 P464	A180-V466 HydrophobicContact CB-CG1 4.17Å; L265-V466 HydrophobicContact CD1-CG2 3.92Å; L265-V466 HydrophobicContact CD2-CG1 4.12Å; L265-V466 HydrophobicContact CD2-CG2 3.97Å; L265-V466 HydrophobicContact CG-CG1 4.31Å; L265-V466 HydrophobicContact CG-CG2 4.11Å; L269-V466 HydrophobicContact CD1-CG1 4.11Å; L269-V466 HydrophobicContact CD2-CG1 3.89Å; L269-V466 HydrophobicContact CG-CG1 4.47Å; N453-V466 PolarHBondContact N-O 3.1Å; Y454-V466 WeakPolarHBondContact CB-O 3.13Å; Y454-V466 PolarHBondContact N-O 3.22Å; Y454-V466 PolarHBondContact O-N 3.48Å; V456-V466 HydrophobicContact CB-CG2 4.48Å; V456-V466 HydrophobicContact CG1-CB 4.29Å; V456-V466 HydrophobicContact CG1-CG1 4.41Å; V456-V466 HydrophobicContact CG1-CG2 4.08Å; V456-V466 HydrophobicContact CG2-CG2 3.62Å; I463-V466 HydrophobicContact CG2-CG2 4.19Å; P464-V466 VanDerWaalsContact C-N 3.32Å; P464-V466 PolarHBondContact O-N 3.45Å
467	S	90.3	Very high	94	Very high	13 Å²	13	24.5 Å²	24.5	9%	0.091	13%	0.125	C	C	.	.			trans	-137.3	146.9	-177.4	-56	0	0	0	0	109.9	S451 D452 N453	S451-S467 CarbonylContact O-C 3.55Å; S451-S467 WeakPolarHBondContact O-CA 3.28Å; S451-S467 WeakPolarHBondContact O-CB 3.49Å; D452-S467 WeakPolarHBondContact CA-OG 3.4Å; D452-S467 PolarHBondContact OD1-OG 3.36Å; N453-S467 PolarHBondContact N-OG 2.99Å
468	G	92.8	Very high	94.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.125	C	C	.	.	S	Bend	trans	153.2	156	-177.1	0	0	0	0	0	111.5	D354 S451 S470 A471	D354-G468 WeakPolarHBondContact OD1-CA 3.3Å; S451-G468 VanDerWaalsContact CB-O 3.29Å; S451-G468 WeakPolarHBondContact CB-O 3.35Å; S451-G468 PolarHBondContact O-N 3.3Å; G468-S470 PolarHBondContact O-N 3.46Å; G468-A471 VanDerWaalsContact O-CB 3.26Å; G468-A471 WeakPolarHBondContact O-CB 3.38Å; G468-A471 PolarHBondContact O-N 3.08Å
469	T	96.1	Very high	94.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-15.4	170.5	51.6	0	0	0	0	112.3	G353 D354 A471 S472 T473	G353-T469 WeakPolarHBondContact CA-OG1 3.47Å; G353-T469 PolarHBondContact N-OG1 3.26Å; G353-T469 WeakPolarHBondContact O-CG2 3Å; G353-T469 PolarHBondContact O-OG1 2.89Å; D354-T469 PolarHBondContact OD1-N 2.95Å; D354-T469 PolarHBondContact OD1-OG1 2.71Å; T469-A471 PolarHBondContact O-N 2.99Å; T469-S472 WeakPolarHBondContact CA-OG 3.49Å; T469-S472 PolarHBondContact O-N 3.34Å; T469-S472 PolarHBondContact O-OG 3.42Å; T469-T473 WeakPolarHBondContact O-CB 3.46Å; T469-T473 PolarHBondContact O-N 2.79Å; T469-T473 PolarHBondContact O-OG1 2.85Å
470	S	93.8	Very high	94.9	Very high	10 Å²	10	20.7 Å²	20.7	7%	0.07	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-27.9	162	-54.8	0	0	0	0	113.5	E266 S318 G468 P474	E266-S470 WeakPolarHBondContact OE1-CB 3.31Å; E266-S470 PolarHBondContact OE1-OG 3.28Å; S318-S470 WeakPolarHBondContact CB-OG 3.5Å; S318-S470 WeakPolarHBondContact OG-CA 3.13Å; S318-S470 WeakPolarHBondContact OG-CB 3.29Å; G468-S470 PolarHBondContact O-N 3.46Å; S470-P474 WeakPolarHBondContact O-CD 3.49Å; S470-P474 VanDerWaalsContact O-CG 3.24Å; S470-P474 WeakPolarHBondContact O-CG 3.46Å
471	A	95.4	Very high	95.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-80.7	-38.4	174.7	0	0	0	0	0	112.2	L269 Y454 G468 T469 P474 V475	L269-A471 HydrophobicContact CD1-CB 3.9Å; L269-A471 HydrophobicContact CD2-CB 3.96Å; L269-A471 HydrophobicContact CG-CB 4.28Å; Y454-A471 HydrophobicContact CD1-CB 3.83Å; Y454-A471 HydrophobicContact CD2-CB 3.77Å; Y454-A471 HydrophobicContact CE1-CB 3.79Å; Y454-A471 HydrophobicContact CE2-CB 3.68Å; Y454-A471 HydrophobicContact CG-CB 3.89Å; G468-A471 VanDerWaalsContact O-CB 3.26Å; G468-A471 WeakPolarHBondContact O-CB 3.38Å; G468-A471 PolarHBondContact O-N 3.08Å; T469-A471 PolarHBondContact O-N 2.99Å; A471-P474 WeakPolarHBondContact O-CD 3.46Å; A471-P474 WeakPolarHBondContact O-CG 2.95Å; A471-V475 VanDerWaalsContact O-CG2 3.3Å; A471-V475 WeakPolarHBondContact O-CG2 3.14Å
472	S	98.5	Very high	95.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-73	-34.6	-177	61.3	0	0	0	0	112.6	G383 A449 L450 T469 V475 V476	G383-S472 VanDerWaalsContact O-CB 3.23Å; G383-S472 WeakPolarHBondContact O-CB 3.26Å; G383-S472 PolarHBondContact O-OG 3.06Å; A449-S472 WeakPolarHBondContact O-CB 3.45Å; L450-S472 WeakPolarHBondContact O-CA 3.27Å; L450-S472 VanDerWaalsContact O-CB 3.31Å; L450-S472 WeakPolarHBondContact O-CB 3.33Å; T469-S472 WeakPolarHBondContact CA-OG 3.49Å; T469-S472 PolarHBondContact O-N 3.34Å; T469-S472 PolarHBondContact O-OG 3.42Å; S472-V475 WeakPolarHBondContact O-CB 3.34Å; S472-V475 PolarHBondContact O-N 2.93Å; S472-V476 PolarHBondContact O-N 3.05Å
473	T	98.7	Very high	95.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.4	-54.7	-179.2	-54.5	0	0	0	0	114.1	T316 L349 A351 V382 T469 V475 V476 G477	T316-T473 HydrophobicContact CG2-CG2 4.4Å; L349-T473 HydrophobicContact CB-CG2 3.84Å; A351-T473 WeakPolarHBondContact CA-OG1 3.41Å; A351-T473 WeakPolarHBondContact CB-OG1 3.42Å; A351-T473 PolarHBondContact N-OG1 3.31Å; V382-T473 HydrophobicContact CG2-CG2 4.35Å; T469-T473 WeakPolarHBondContact O-CB 3.46Å; T469-T473 PolarHBondContact O-N 2.79Å; T469-T473 PolarHBondContact O-OG1 2.85Å; T473-V475 VanDerWaalsContact C-N 3.26Å; T473-V475 PolarHBondContact O-N 3.12Å; T473-V476 PolarHBondContact O-N 3.27Å; T473-G477 PolarHBondContact O-N 3.24Å
474	P	98.6	Very high	96.1	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.6	-31.5	176.6	26.7	-36.2	0	0	0	112.4	D270 I274 S470 A471 G477 G478	D270-P474 WeakPolarHBondContact O-CB 3.3Å; I274-P474 HydrophobicContact CB-CB 3.8Å; I274-P474 HydrophobicContact CG1-CB 4.46Å; S470-P474 WeakPolarHBondContact O-CD 3.49Å; S470-P474 VanDerWaalsContact O-CG 3.24Å; S470-P474 WeakPolarHBondContact O-CG 3.46Å; A471-P474 WeakPolarHBondContact O-CD 3.46Å; A471-P474 WeakPolarHBondContact O-CG 2.95Å; P474-G477 PolarHBondContact O-N 3.22Å; P474-G478 PolarHBondContact O-N 2.87Å
475	V	98.8	Very high	96.5	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-61.3	-50.1	175.4	162.6	0	0	0	0	111.3	L200 Y204 Y273 T277 A449 Y454 A471 S472 T473 M479	L200-V475 HydrophobicContact CD1-CG2 3.63Å; L200-V475 HydrophobicContact CD2-CG1 4.16Å; L200-V475 HydrophobicContact CD2-CG2 4.2Å; Y204-V475 HydrophobicContact CD2-CG1 4.06Å; Y204-V475 HydrophobicContact CE2-CG1 3.63Å; Y273-V475 HydrophobicContact CD1-CG2 4.28Å; T277-V475 HydrophobicContact CG2-CB 4.41Å; T277-V475 HydrophobicContact CG2-CG1 4.09Å; T277-V475 HydrophobicContact CG2-CG2 4.28Å; T277-V475 WeakPolarHBondContact OG1-CA 3.5Å; T277-V475 PolarHBondContact OG1-O 3.02Å; A449-V475 HydrophobicContact CB-CB 4.43Å; A449-V475 HydrophobicContact CB-CG1 3.84Å; Y454-V475 HydrophobicContact CE1-CG2 4.12Å; A471-V475 VanDerWaalsContact O-CG2 3.3Å; A471-V475 WeakPolarHBondContact O-CG2 3.14Å; S472-V475 WeakPolarHBondContact O-CB 3.34Å; S472-V475 PolarHBondContact O-N 2.93Å; T473-V475 VanDerWaalsContact C-N 3.26Å; T473-V475 PolarHBondContact O-N 3.12Å; V475-M479 HydrophobicContact CG1-CE 3.63Å; V475-M479 VanDerWaalsContact O-CE 3.23Å; V475-M479 WeakPolarHBondContact O-CE 3.22Å; V475-M479 PolarHBondContact O-N 2.87Å
476	V	98.9	Very high	97	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.006	3%	0.027	C	C	.	.	H	α-helix	trans	-64.2	-46	175.4	177.2	0	0	0	0	110.7	L349 V382 M447 A449 S472 T473 G478 M479 L480 P546	L349-V476 HydrophobicContact CD2-CB 4.1Å; L349-V476 HydrophobicContact CD2-CG1 3.7Å; V382-V476 HydrophobicContact CG1-CB 4.28Å; V382-V476 HydrophobicContact CG1-CG2 3.66Å; V382-V476 HydrophobicContact CG2-CB 4.28Å; V382-V476 HydrophobicContact CG2-CG1 4.42Å; V382-V476 HydrophobicContact CG2-CG2 4.46Å; M447-V476 HydrophobicContact CE-CG1 4.2Å; M447-V476 HydrophobicContact SD-CG1 4.22Å; A449-V476 HydrophobicContact CB-CG2 3.7Å; S472-V476 PolarHBondContact O-N 3.05Å; T473-V476 PolarHBondContact O-N 3.27Å; V476-G478 VanDerWaalsContact C-N 3.33Å; V476-G478 PolarHBondContact O-N 3.41Å; V476-M479 PolarHBondContact O-N 3.28Å; V476-L480 HydrophobicContact CG1-CD1 4.25Å; V476-L480 HydrophobicContact CG1-CG 4.28Å; V476-L480 WeakPolarHBondContact O-CG 3.24Å; V476-L480 PolarHBondContact O-N 2.84Å; V476-P546 HydrophobicContact CG2-CG 4.48Å
477	G	98.8	Very high	97.3	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59.4	-39.9	-179.9	0	0	0	0	0	113.5	T473 P474 L480 S481	T473-G477 PolarHBondContact O-N 3.24Å; P474-G477 PolarHBondContact O-N 3.22Å; G477-L480 PolarHBondContact O-N 3.39Å; G477-S481 WeakPolarHBondContact O-CB 3.26Å; G477-S481 PolarHBondContact O-N 2.88Å; G477-S481 PolarHBondContact O-OG 3.36Å
478	G	98.8	Very high	97.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62.9	-42.1	175.5	0	0	0	0	0	112.8	G278 P474 V476 S481 L482	G278-G478 VanDerWaalsContact CA-CA 3.47Å; G278-G478 VanDerWaalsContact CA-O 3.26Å; G278-G478 WeakPolarHBondContact CA-O 3.49Å; G278-G478 VanDerWaalsContact N-CA 3.34Å; P474-G478 PolarHBondContact O-N 2.87Å; V476-G478 VanDerWaalsContact C-N 3.33Å; V476-G478 PolarHBondContact O-N 3.41Å; G478-S481 WeakPolarHBondContact O-CB 3.41Å; G478-S481 PolarHBondContact O-N 2.56Å; G478-L482 PolarHBondContact O-N 3.37Å
479	M	98.9	Very high	97.8	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-65.7	-41.2	174.8	-78.8	179.8	-81.9	0	0	112.7	Y204 L206 V475 V476 S481 L482 I483 P546 Y548	Y204-M479 HydrophobicContact CD2-CE 3.64Å; Y204-M479 HydrophobicContact CD2-SD 4.23Å; Y204-M479 HydrophobicContact CE2-CE 4.22Å; Y204-M479 HydrophobicContact CG-CE 4.05Å; Y204-M479 HydrophobicContact CG-SD 4.15Å; L206-M479 HydrophobicContact CD1-CG 3.96Å; L206-M479 HydrophobicContact CD1-SD 4.14Å; L206-M479 HydrophobicContact CD2-CG 4.4Å; V475-M479 HydrophobicContact CG1-CE 3.63Å; V475-M479 VanDerWaalsContact O-CE 3.23Å; V475-M479 WeakPolarHBondContact O-CE 3.22Å; V475-M479 PolarHBondContact O-N 2.87Å; V476-M479 PolarHBondContact O-N 3.28Å; M479-S481 VanDerWaalsContact C-N 3.26Å; M479-S481 PolarHBondContact O-N 2.93Å; M479-L482 PolarHBondContact O-N 2.9Å; M479-I483 WeakPolarHBondContact O-CG1 3.5Å; M479-I483 PolarHBondContact O-N 3.03Å; M479-P546 HydrophobicContact CE-CB 4.08Å; M479-P546 HydrophobicContact CE-CG 3.22Å; M479-P546 HydrophobicContact SD-CB 3.94Å; M479-P546 HydrophobicContact SD-CG 3.71Å; M479-Y548 HydrophobicContact CB-CD2 4.18Å; M479-Y548 HydrophobicContact CG-CD2 4.06Å
480	L	98.8	Very high	97.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-33.9	173.6	-65.9	-175	0	0	0	111.9	L349 V476 G477 I483 N484 L495 L498 L555	L349-L480 HydrophobicContact CD1-CD1 4.25Å; L349-L480 HydrophobicContact CD2-CD1 3.88Å; L349-L480 HydrophobicContact CG-CD1 4.49Å; V476-L480 HydrophobicContact CG1-CD1 4.25Å; V476-L480 HydrophobicContact CG1-CG 4.28Å; V476-L480 WeakPolarHBondContact O-CG 3.24Å; V476-L480 PolarHBondContact O-N 2.84Å; G477-L480 PolarHBondContact O-N 3.39Å; L480-I483 HydrophobicContact CD2-CD1 4.21Å; L480-I483 PolarHBondContact O-N 3.08Å; L480-N484 PolarHBondContact O-N 2.94Å; L480-L495 HydrophobicContact CB-CD1 4.5Å; L480-L495 HydrophobicContact CD2-CD1 4.08Å; L480-L498 HydrophobicContact CD1-CD2 3.67Å; L480-L498 HydrophobicContact CD2-CD2 3.92Å; L480-L498 HydrophobicContact CG-CD2 4.47Å; L480-L555 HydrophobicContact CD2-CD1 4.15Å
481	S	98.8	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.5	-40.3	175	-58.7	0	0	0	0	111.6	N217 Q219 V314 G477 G478 M479 I483 N484 G485	N217-S481 PolarHBondContact ND2-O 3.47Å; Q219-S481 WeakPolarHBondContact CB-OG 3.2Å; Q219-S481 PolarHBondContact OE1-OG 3.03Å; V314-S481 VanDerWaalsContact CB-OG 3.25Å; V314-S481 WeakPolarHBondContact CB-OG 3.2Å; V314-S481 VanDerWaalsContact CG2-OG 3.26Å; V314-S481 WeakPolarHBondContact CG2-OG 3.12Å; G477-S481 WeakPolarHBondContact O-CB 3.26Å; G477-S481 PolarHBondContact O-N 2.88Å; G477-S481 PolarHBondContact O-OG 3.36Å; G478-S481 WeakPolarHBondContact O-CB 3.41Å; G478-S481 PolarHBondContact O-N 2.56Å; M479-S481 VanDerWaalsContact C-N 3.26Å; M479-S481 PolarHBondContact O-N 2.93Å; S481-I483 VanDerWaalsContact C-N 3.32Å; S481-I483 PolarHBondContact O-N 2.9Å; S481-N484 PolarHBondContact O-N 2.76Å; S481-G485 PolarHBondContact O-N 3.29Å
482	L	98.8	Very high	97.7	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-41.3	171	-72.3	175.3	0	0	0	111.8	L206 D210 V211 T277 I281 G478 M479 G485 Q486 Y548	L206-L482 HydrophobicContact CD2-CD1 3.54Å; D210-L482 HydrophobicContact CB-CD1 4.44Å; V211-L482 VanDerWaalsContact C-CD2 3.49Å; T277-L482 WeakPolarHBondContact O-CD1 3.21Å; I281-L482 HydrophobicContact CD1-CD2 3.92Å; I281-L482 HydrophobicContact CD1-CG 4.18Å; I281-L482 HydrophobicContact CG1-CD2 4.47Å; G478-L482 PolarHBondContact O-N 3.37Å; M479-L482 PolarHBondContact O-N 2.9Å; L482-G485 PolarHBondContact O-N 2.94Å; L482-Q486 PolarHBondContact O-N 2.83Å; L482-Q486 VanDerWaalsContact O-N 3.07Å; L482-Y548 HydrophobicContact CB-CE2 3.77Å; L482-Y548 WeakPolarHBondContact CB-OH 3.33Å; L482-Y548 HydrophobicContact CD1-CE2 3.98Å
483	I	98.5	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-42.1	176.5	-67.3	160.2	0	0	0	110.6	M479 L480 S481 G485 Q486 R487 L495 Y548 L551 L552 L555	M479-I483 WeakPolarHBondContact O-CG1 3.5Å; M479-I483 PolarHBondContact O-N 3.03Å; L480-I483 HydrophobicContact CD2-CD1 4.21Å; L480-I483 PolarHBondContact O-N 3.08Å; S481-I483 VanDerWaalsContact C-N 3.32Å; S481-I483 PolarHBondContact O-N 2.9Å; I483-G485 VanDerWaalsContact C-N 3.31Å; I483-G485 PolarHBondContact O-N 3.03Å; I483-Q486 PolarHBondContact O-N 3.11Å; I483-Q486 VanDerWaalsContact O-N 3.17Å; I483-R487 HydrophobicContact CG2-CG 4.36Å; I483-R487 WeakPolarHBondContact O-CG 3.32Å; I483-R487 PolarHBondContact O-N 2.85Å; I483-L495 HydrophobicContact CB-CD1 4.41Å; I483-L495 HydrophobicContact CG2-CD1 3.91Å; I483-Y548 HydrophobicContact CD1-CE2 4.43Å; I483-Y548 HydrophobicContact CG1-CE2 3.94Å; I483-L551 HydrophobicContact CD1-CD2 4.11Å; I483-L551 HydrophobicContact CD1-CG 4.01Å; I483-L552 HydrophobicContact CB-CD1 4.24Å; I483-L552 HydrophobicContact CG1-CB 4.21Å; I483-L552 HydrophobicContact CG1-CD1 3.82Å; I483-L552 HydrophobicContact CG2-CD1 4.16Å; I483-L555 HydrophobicContact CD1-CD1 4.1Å; I483-L555 HydrophobicContact CG2-CB 3.87Å; I483-L555 HydrophobicContact CG2-CD1 4.4Å
484	N	98.4	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.4	-42.1	172.3	-83.9	-20.2	0	0	0	111.6	V314 L480 S481 Q486 R487 L488 A494 L495	V314-N484 WeakPolarHBondContact CG2-ND2 3.32Å; L480-N484 PolarHBondContact O-N 2.94Å; S481-N484 PolarHBondContact O-N 2.76Å; N484-Q486 VanDerWaalsContact C-N 3.32Å; N484-Q486 PolarHBondContact O-N 2.89Å; N484-R487 PolarHBondContact O-N 3.21Å; N484-L488 WeakPolarHBondContact O-CB 3.23Å; N484-L488 WeakPolarHBondContact O-CG 3.3Å; N484-L488 PolarHBondContact O-N 2.69Å; N484-A494 WeakPolarHBondContact OD1-CA 3.25Å; N484-L495 WeakPolarHBondContact OD1-CG 3.34Å; N484-L495 PolarHBondContact OD1-N 3.33Å
485	G	97.9	Very high	97.4	Very high	5 Å²	5	23.6 Å²	23.6	5%	0.052	14%	0.139	C	C	.	.	H	α-helix	trans	-56.7	-45.1	174	0	0	0	0	0	112.6	N217 S481 L482 I483 S489	N217-G485 PolarHBondContact ND2-N 2.83Å; S481-G485 PolarHBondContact O-N 3.29Å; L482-G485 PolarHBondContact O-N 2.94Å; I483-G485 VanDerWaalsContact C-N 3.31Å; I483-G485 PolarHBondContact O-N 3.03Å; G485-S489 WeakPolarHBondContact O-CB 3.27Å; G485-S489 PolarHBondContact O-N 2.89Å
486	Q	97.6	Very high	97.3	Very high	58 Å²	58	23.6 Å²	23.6	27%	0.271	14%	0.139	S	C	.	.	H	α-helix	trans	-65.6	-40.6	175.8	-67	-61.9	-38.2	0	0	112.5	L482 I483 N484 S489 R490 L552 L556	L482-Q486 PolarHBondContact O-N 2.83Å; L482-Q486 VanDerWaalsContact O-N 3.07Å; I483-Q486 PolarHBondContact O-N 3.11Å; I483-Q486 VanDerWaalsContact O-N 3.17Å; N484-Q486 VanDerWaalsContact C-N 3.32Å; N484-Q486 PolarHBondContact O-N 2.89Å; Q486-S489 PolarHBondContact O-OG 3.42Å; Q486-R490 WeakPolarHBondContact O-CG 3.12Å; Q486-R490 PolarHBondContact O-N 2.96Å; Q486-L552 HydrophobicContact CB-CD1 3.8Å; Q486-L552 HydrophobicContact CG-CD1 3.88Å; Q486-L552 HydrophobicContact CG-CD2 4.36Å; Q486-L556 HydrophobicContact CB-CD2 4.34Å
487	R	97.2	Very high	97.3	Very high	5 Å²	5	24 Å²	24	2%	0.019	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-50.9	176	-72.3	177	64.5	72.2	9	111.5	I483 N484 S489 R490 G491 L492 P493 L555 L556	I483-R487 HydrophobicContact CG2-CG 4.36Å; I483-R487 WeakPolarHBondContact O-CG 3.32Å; I483-R487 PolarHBondContact O-N 2.85Å; N484-R487 PolarHBondContact O-N 3.21Å; R487-S489 VanDerWaalsContact C-N 3.32Å; R487-S489 PolarHBondContact O-N 3.05Å; R487-R490 CarbonylContact O-C 3.55Å; R487-R490 WeakPolarHBondContact O-CA 3.45Å; R487-R490 PolarHBondContact O-N 2.89Å; R487-G491 PolarHBondContact O-N 3.09Å; R487-L492 CarbonylContact C-O 3.54Å; R487-L492 HydrophobicContact CB-CB 4.01Å; R487-L492 WeakPolarHBondContact O-CB 3.34Å; R487-L492 PolarHBondContact O-N 2.99Å; R487-P493 VanDerWaalsContact CZ-O 3.27Å; R487-P493 PolarHBondContact NE-O 3.2Å; R487-P493 PolarHBondContact NH2-O 2.86Å; R487-L555 PolarHBondContact NH1-O 2.72Å; R487-L556 HydrophobicContact CG-CD2 3.75Å
488	L	96.3	Very high	97.3	Very high	28 Å²	28	24.1 Å²	24.1	15%	0.147	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-40.1	-179.7	-68.3	168.4	0	0	0	111.6	N217 N484 R490 G491	N217-L488 HydrophobicContact CB-CD1 3.93Å; N484-L488 WeakPolarHBondContact O-CB 3.23Å; N484-L488 WeakPolarHBondContact O-CG 3.3Å; N484-L488 PolarHBondContact O-N 2.69Å; L488-R490 PolarHBondContact O-N 2.83Å; L488-R490 VanDerWaalsContact O-N 3.14Å; L488-G491 PolarHBondContact O-N 2.91Å
489	S	95.4	Very high	97.2	Very high	78 Å²	78	24.1 Å²	24.1	55%	0.545	14%	0.141	S	C	.	.	H	α-helix	trans	-61.6	-21.5	175.5	76.8	0	0	0	0	113.9	G485 Q486 R487	G485-S489 WeakPolarHBondContact O-CB 3.27Å; G485-S489 PolarHBondContact O-N 2.89Å; Q486-S489 PolarHBondContact O-OG 3.42Å; R487-S489 VanDerWaalsContact C-N 3.32Å; R487-S489 PolarHBondContact O-N 3.05Å
490	R	94.9	Very high	97.2	Very high	158 Å²	158	25 Å²	25	60%	0.596	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	9.8	177	-63.2	177.4	-174.5	-149.2	1.2	112.9	Q486 R487 L488 L492	Q486-R490 WeakPolarHBondContact O-CG 3.12Å; Q486-R490 PolarHBondContact O-N 2.96Å; R487-R490 CarbonylContact O-C 3.55Å; R487-R490 WeakPolarHBondContact O-CA 3.45Å; R487-R490 PolarHBondContact O-N 2.89Å; L488-R490 PolarHBondContact O-N 2.83Å; L488-R490 VanDerWaalsContact O-N 3.14Å; R490-L492 HydrophobicContact CB-CD1 4.48Å; R490-L492 HydrophobicContact CB-CG 4.31Å; R490-L492 PolarHBondContact O-N 3.35Å
491	G	94.1	Very high	97.1	Very high	72 Å²	72	25.4 Å²	25.4	74%	0.742	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	16.6	-176.1	0	0	0	0	0	114.1	R487 L488	R487-G491 PolarHBondContact O-N 3.09Å; L488-G491 PolarHBondContact O-N 2.91Å
492	L	95.1	Very high	97	Very high	33 Å²	33	25.6 Å²	25.6	17%	0.173	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-87.8	147.6	173.8	-59.1	175.3	0	0	0	110.2	R487 R490 L556	R487-L492 CarbonylContact C-O 3.54Å; R487-L492 HydrophobicContact CB-CB 4.01Å; R487-L492 WeakPolarHBondContact O-CB 3.34Å; R487-L492 PolarHBondContact O-N 2.99Å; R490-L492 HydrophobicContact CB-CD1 4.48Å; R490-L492 HydrophobicContact CB-CG 4.31Å; R490-L492 PolarHBondContact O-N 3.35Å; L492-L556 HydrophobicContact CD1-CD2 4.43Å
493	P	95.1	Very high	97	Very high	46 Å²	46	25.7 Å²	25.7	30%	0.299	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-67.4	156.3	175.5	27.1	-32.8	0	0	0	111.5	G76 R487	G76-P493 VanDerWaalsContact O-CB 3.29Å; G76-P493 WeakPolarHBondContact O-CB 3.49Å; R487-P493 VanDerWaalsContact CZ-O 3.27Å; R487-P493 PolarHBondContact NE-O 3.2Å; R487-P493 PolarHBondContact NH2-O 2.86Å
494	A	96.1	Very high	96.8	Very high	2 Å²	2	30 Å²	30	2%	0.017	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-55.4	153.4	169.5	0	0	0	0	0	111.3	H78 W313 N484 G496	H78-A494 PolarHBondContact NE2-O 3.27Å; W313-A494 HydrophobicContact CB-CB 4.29Å; W313-A494 HydrophobicContact CD2-CB 3.78Å; W313-A494 HydrophobicContact CE3-CB 3.69Å; W313-A494 HydrophobicContact CG-CB 4.05Å; W313-A494 HydrophobicContact CZ3-CB 4.31Å; N484-A494 WeakPolarHBondContact OD1-CA 3.25Å; A494-G496 VanDerWaalsContact C-N 3.3Å; A494-G496 PolarHBondContact O-N 3.07Å
495	L	97.3	Very high	96.6	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.179	C	C	.	.			trans	-57.7	-40.5	-176.7	-72.3	168.4	0	0	0	112.8	L480 I483 N484 L498 L555	L480-L495 HydrophobicContact CB-CD1 4.5Å; L480-L495 HydrophobicContact CD2-CD1 4.08Å; I483-L495 HydrophobicContact CB-CD1 4.41Å; I483-L495 HydrophobicContact CG2-CD1 3.91Å; N484-L495 WeakPolarHBondContact OD1-CG 3.34Å; N484-L495 PolarHBondContact OD1-N 3.33Å; L495-L498 HydrophobicContact CD2-CD1 4.42Å; L495-L555 HydrophobicContact CD1-CD1 4.07Å; L495-L555 HydrophobicContact CD2-CB 4.18Å; L495-L555 HydrophobicContact CD2-CD1 4.33Å; L495-L555 HydrophobicContact CD2-CD2 4.19Å; L495-L555 HydrophobicContact CD2-CG 4.47Å
496	G	97.9	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.			trans	62.9	-140	-175.6	0	0	0	0	0	112.9	G345 L346 S347 A494 L498	G345-G496 VanDerWaalsContact C-CA 3.42Å; G345-G496 WeakPolarHBondContact O-CA 3.24Å; L346-G496 CarbonylContact O-C 3.49Å; S347-G496 WeakPolarHBondContact CA-O 3.27Å; S347-G496 WeakPolarHBondContact CB-O 3.22Å; S347-G496 PolarHBondContact OG-N 2.89Å; S347-G496 PolarHBondContact OG-O 2.9Å; A494-G496 VanDerWaalsContact C-N 3.3Å; A494-G496 PolarHBondContact O-N 3.07Å; G496-L498 PolarHBondContact O-N 3.45Å
497	F	98.6	Very high	95.7	Very high	10 Å²	10	36.5 Å²	36.5	4%	0.044	20%	0.201	C	C	.	.	S	Bend	trans	-65.5	106	176.7	176.1	-135.4	0	0	0	110.8	L64 P377 Y378 Y415 N499 P500	L64-F497 HydrophobicContact CD1-CB 4Å; L64-F497 HydrophobicContact CD1-CD1 3.95Å; L64-F497 HydrophobicContact CD1-CG 4.31Å; L64-F497 HydrophobicContact CD2-CD1 4.1Å; L64-F497 HydrophobicContact CD2-CE1 4.38Å; L64-F497 HydrophobicContact CG-CD1 4.01Å; P377-F497 WeakPolarHBondContact O-CZ 3.39Å; Y378-F497 HydrophobicContact CD1-CE1 4.43Å; Y378-F497 HydrophobicContact CD1-CZ 4.5Å; Y415-F497 HydrophobicContact CE1-CE1 4.24Å; Y415-F497 AromaticContact CE1-CZ 3.78Å; Y415-F497 HydrophobicContact CE1-CZ 3.78Å; F497-N499 HydrophobicContact CE2-CB 3.66Å; F497-N499 HydrophobicContact CZ-CB 3.74Å; F497-P500 HydrophobicContact CD1-CG 3.85Å; F497-P500 VanDerWaalsContact CE1-CD 3.44Å; F497-P500 HydrophobicContact CE1-CG 3.52Å; F497-P500 HydrophobicContact CZ-CG 4.2Å
498	L	98	Very high	95.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	22%	0.222	C	C	.	.			trans	-81	-29.6	-165.4	178.3	63	0	0	0	114	T380 M447 L480 L495 G496 R501 L502 L555	T380-L498 HydrophobicContact CG2-CD2 4.5Å; M447-L498 HydrophobicContact SD-CD2 4.09Å; L480-L498 HydrophobicContact CD1-CD2 3.67Å; L480-L498 HydrophobicContact CD2-CD2 3.92Å; L480-L498 HydrophobicContact CG-CD2 4.47Å; L495-L498 HydrophobicContact CD2-CD1 4.42Å; G496-L498 PolarHBondContact O-N 3.45Å; L498-R501 PolarHBondContact O-N 3.34Å; L498-R501 VanDerWaalsContact O-N 3.09Å; L498-L502 HydrophobicContact CG-CB 4.19Å; L498-L502 PolarHBondContact O-N 3.33Å; L498-L555 HydrophobicContact CD1-CD1 4.25Å; L498-L555 HydrophobicContact CD1-CD2 4.03Å
499	N	98.6	Very high	95.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.1	-47	-166.2	-64.2	14	0	0	0	113.7	V379 T380 Y415 D446 F497 R501 L502 Y503	V379-N499 PolarHBondContact O-ND2 2.8Å; T380-N499 WeakPolarHBondContact CA-OD1 3.4Å; T380-N499 WeakPolarHBondContact CB-OD1 3.31Å; T380-N499 PolarHBondContact OG1-OD1 2.83Å; Y415-N499 HydrophobicContact CD2-CB 4.25Å; Y415-N499 HydrophobicContact CE1-CB 4.21Å; Y415-N499 HydrophobicContact CE2-CB 3.71Å; Y415-N499 PolarHBondContact OH-ND2 3.26Å; Y415-N499 VanDerWaalsContact OH-ND2 3.14Å; D446-N499 VanDerWaalsContact CG-ND2 3.27Å; D446-N499 PolarHBondContact OD1-ND2 3.15Å; D446-N499 PolarHBondContact OD2-ND2 3.08Å; F497-N499 HydrophobicContact CE2-CB 3.66Å; F497-N499 HydrophobicContact CZ-CB 3.74Å; N499-R501 VanDerWaalsContact C-N 3.27Å; N499-R501 PolarHBondContact O-N 2.79Å; N499-L502 PolarHBondContact O-N 2.84Å; N499-L502 VanDerWaalsContact O-N 3.12Å; N499-Y503 HydrophobicContact CB-CD2 4.31Å; N499-Y503 HydrophobicContact CB-CE2 4.43Å; N499-Y503 VanDerWaalsContact O-CD2 3.3Å; N499-Y503 WeakPolarHBondContact O-CD2 3.38Å; N499-Y503 PolarHBondContact O-N 3.24Å
500	P	97.9	Very high	95.5	Very high	20 Å²	20	36.2 Å²	36.2	13%	0.13	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-42.4	-179.6	-26.5	37.1	0	0	0	112.4	Y415 F497 K504	Y415-P500 HydrophobicContact CD1-CG 4.09Å; F497-P500 HydrophobicContact CD1-CG 3.85Å; F497-P500 VanDerWaalsContact CE1-CD 3.44Å; F497-P500 HydrophobicContact CE1-CG 3.52Å; F497-P500 HydrophobicContact CZ-CG 4.2Å; P500-K504 VanDerWaalsContact O-CB 3.27Å; P500-K504 WeakPolarHBondContact O-CB 3.3Å; P500-K504 PolarHBondContact O-N 2.87Å
501	R	96.8	Very high	95.6	Very high	8 Å²	8	31.3 Å²	31.3	3%	0.03	18%	0.184	C	C	.	.	H	α-helix	trans	-68.5	-44	176.3	-178.7	170.8	179.3	145.3	9	112.2	P70 Y75 L498 N499 K504 L505 A554 L555 S557	P70-R501 HydrophobicContact CB-CG 4.37Å; P70-R501 HydrophobicContact CG-CB 4.11Å; P70-R501 HydrophobicContact CG-CG 4.18Å; Y75-R501 VanDerWaalsContact OH-CD 3.29Å; Y75-R501 WeakPolarHBondContact OH-CD 3.43Å; Y75-R501 PolarHBondContact OH-NH1 3.01Å; L498-R501 PolarHBondContact O-N 3.34Å; L498-R501 VanDerWaalsContact O-N 3.09Å; N499-R501 VanDerWaalsContact C-N 3.27Å; N499-R501 PolarHBondContact O-N 2.79Å; R501-K504 WeakPolarHBondContact O-CB 3.38Å; R501-K504 PolarHBondContact O-N 2.85Å; R501-L505 WeakPolarHBondContact O-CG 3.44Å; R501-L505 PolarHBondContact O-N 2.84Å; R501-A554 PolarHBondContact NH2-O 3.14Å; R501-L555 HydrophobicContact CG-CD2 4.04Å; R501-L555 VanDerWaalsContact NE-CD2 3.28Å; R501-L555 VanDerWaalsContact NH2-C 3.26Å; R501-L555 VanDerWaalsContact NH2-CA 3.33Å; R501-L555 PolarHBondContact NH2-O 3.35Å; R501-S557 PolarHBondContact NH2-O 2.82Å
502	L	96.9	Very high	95.8	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-50	179.5	173.4	65.3	0	0	0	112.2	D446 M447 L498 N499 K504 L505 K506 L510 W543	D446-L502 HydrophobicContact CB-CD2 3.98Å; M447-L502 HydrophobicContact CG-CD1 4.3Å; M447-L502 HydrophobicContact CG-CD2 3.42Å; M447-L502 VanDerWaalsContact CG-CD2 3.42Å; M447-L502 HydrophobicContact SD-CD1 4.26Å; M447-L502 HydrophobicContact SD-CD2 3.92Å; L498-L502 HydrophobicContact CG-CB 4.19Å; L498-L502 PolarHBondContact O-N 3.33Å; N499-L502 PolarHBondContact O-N 2.84Å; N499-L502 VanDerWaalsContact O-N 3.12Å; L502-K504 PolarHBondContact O-N 2.93Å; L502-L505 WeakPolarHBondContact O-CB 3.41Å; L502-L505 PolarHBondContact O-N 2.04Å; L502-K506 PolarHBondContact O-N 2.85Å; L502-L510 HydrophobicContact CD1-CD1 3.66Å; L502-W543 HydrophobicContact CG-CG 4.49Å
503	Y	98.1	Very high	96	Very high	9 Å²	9	29.1 Å²	29.1	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-67.5	-27.1	179.6	-81.9	-95.4	0	0	0	112.8	Y415 Q416 A419 D446 N499 K506 W537 W543	Y415-Y503 HydrophobicContact CD2-CD1 4.47Å; Y415-Y503 AromaticContact CD2-CD2 3.56Å; Y415-Y503 HydrophobicContact CD2-CD2 3.56Å; Y415-Y503 AromaticContact CD2-CE2 3.94Å; Y415-Y503 HydrophobicContact CD2-CE2 3.94Å; Y415-Y503 AromaticContact CD2-CG 3.84Å; Y415-Y503 HydrophobicContact CD2-CG 3.84Å; Y415-Y503 AromaticContact CE2-CD2 3.81Å; Y415-Y503 HydrophobicContact CE2-CD2 3.81Å; Y415-Y503 AromaticContact CE2-CE2 3.73Å; Y415-Y503 HydrophobicContact CE2-CE2 3.73Å; Y415-Y503 HydrophobicContact CE2-CG 4.47Å; Y415-Y503 WeakPolarHBondContact O-CB 3.4Å; Q416-Y503 HydrophobicContact CB-CD1 3.62Å; Q416-Y503 HydrophobicContact CB-CE1 3.29Å; Q416-Y503 HydrophobicContact CB-CE2 4.32Å; Q416-Y503 HydrophobicContact CB-CG 4.28Å; A419-Y503 HydrophobicContact CB-CD1 3.76Å; A419-Y503 HydrophobicContact CB-CE1 3.76Å; D446-Y503 HydrophobicContact CB-CE2 4.29Å; D446-Y503 WeakPolarHBondContact OD1-CE2 3.37Å; D446-Y503 PolarHBondContact OD1-OH 3.41Å; D446-Y503 VanDerWaalsContact OD1-OH 3.08Å; N499-Y503 HydrophobicContact CB-CD2 4.31Å; N499-Y503 HydrophobicContact CB-CE2 4.43Å; N499-Y503 VanDerWaalsContact O-CD2 3.3Å; N499-Y503 WeakPolarHBondContact O-CD2 3.38Å; N499-Y503 PolarHBondContact O-N 3.24Å; Y503-K506 VanDerWaalsContact O-CG 3.31Å; Y503-K506 WeakPolarHBondContact O-CG 3.36Å; Y503-K506 PolarHBondContact O-N 3.09Å; Y503-W537 AromaticContact CE1-CD1 3.78Å; Y503-W537 HydrophobicContact CE1-CG 4.23Å; Y503-W537 AromaticContact CE1-NE1 3.91Å; Y503-W537 AromaticContact CZ-CD1 3.93Å; Y503-W537 AromaticContact CZ-NE1 3.72Å; Y503-W537 PolarHBondContact OH-NE1 2.83Å; Y503-W543 AromaticContact CD1-CE2 3.74Å; Y503-W543 AromaticContact CD1-CZ2 3.68Å; Y503-W543 HydrophobicContact CD1-CZ2 3.68Å; Y503-W543 AromaticContact CD1-NE1 3.21Å; Y503-W543 AromaticContact CD2-NE1 3.73Å; Y503-W543 HydrophobicContact CE1-CZ2 4.23Å; Y503-W543 AromaticContact CE1-NE1 3.35Å; Y503-W543 VanDerWaalsContact CE1-NE1 3.35Å; Y503-W543 AromaticContact CE2-NE1 3.89Å; Y503-W543 HydrophobicContact CG-CZ2 4.32Å; Y503-W543 AromaticContact CG-NE1 3.42Å; Y503-W543 AromaticContact CZ-NE1 3.72Å
504	K	95.6	Very high	96.1	Very high	91 Å²	91	29.5 Å²	29.5	40%	0.396	16%	0.157	S	C	.	.	H	α-helix	trans	-72.2	-33.6	173.9	-172.2	138	174.9	-85.1	0	113.1	P70 D71 P500 R501 L502 K506	P70-K504 HydrophobicContact CG-CD 4.05Å; P70-K504 HydrophobicContact CG-CG 4.47Å; D71-K504 VanDerWaalsContact CG-CE 3.48Å; D71-K504 IonicContact OD1-NZ 2.76Å; D71-K504 PolarHBondContact OD1-NZ 2.87Å; D71-K504 WeakPolarHBondContact OD2-CE 3.23Å; D71-K504 IonicContact OD2-NZ 2.7Å; D71-K504 PolarHBondContact OD2-NZ 2.88Å; P500-K504 VanDerWaalsContact O-CB 3.27Å; P500-K504 WeakPolarHBondContact O-CB 3.3Å; P500-K504 PolarHBondContact O-N 2.87Å; R501-K504 WeakPolarHBondContact O-CB 3.38Å; R501-K504 PolarHBondContact O-N 2.85Å; L502-K504 PolarHBondContact O-N 2.93Å; K504-K506 VanDerWaalsContact C-N 3.32Å
505	L	93.6	Very high	96.2	Very high	42 Å²	42	33.1 Å²	33.1	22%	0.22	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-39.1	173.4	-70.5	173.6	0	0	0	111.1	R501 L502 P508 A554 L555	R501-L505 WeakPolarHBondContact O-CG 3.44Å; R501-L505 PolarHBondContact O-N 2.84Å; L502-L505 WeakPolarHBondContact O-CB 3.41Å; L502-L505 PolarHBondContact O-N 2.04Å; L505-P508 VanDerWaalsContact C-CD 3.4Å; L505-P508 WeakPolarHBondContact O-CD 3.45Å; L505-P508 VanDerWaalsContact O-CG 3.32Å; L505-P508 WeakPolarHBondContact O-CG 3.37Å; L505-A554 HydrophobicContact CD1-CB 3.96Å; L505-A554 HydrophobicContact CD2-CB 4.12Å; L505-L555 HydrophobicContact CD1-CD2 3.8Å; L505-L555 HydrophobicContact CD1-CG 4.49Å
506	K	92.8	Very high	96.2	Very high	138 Å²	138	34.6 Å²	34.6	60%	0.6	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	40.8	-177	-53.7	178.5	178.6	-176.3	0	114.5	L502 Y503 K504 P508 W543	L502-K506 PolarHBondContact O-N 2.85Å; Y503-K506 VanDerWaalsContact O-CG 3.31Å; Y503-K506 WeakPolarHBondContact O-CG 3.36Å; Y503-K506 PolarHBondContact O-N 3.09Å; K504-K506 VanDerWaalsContact C-N 3.32Å; K506-P508 WeakPolarHBondContact O-CD 3.19Å; K506-W543 VanDerWaalsContact C-CZ3 3.44Å; K506-W543 HydrophobicContact CB-CH2 3.82Å; K506-W543 HydrophobicContact CB-CZ3 3.99Å; K506-W543 HydrophobicContact CG-CH2 4.11Å
507	G	84.6	Confident	96.3	Very high	18 Å²	18	36.4 Å²	36.4	19%	0.186	20%	0.201	C	C	.	.	S	Bend	trans	98.8	-13.5	174.3	0	0	0	0	0	119.3	G509 L510	G507-G509 PolarHBondContact O-N 3.25Å; G507-L510 WeakPolarHBondContact O-CB 3.28Å; G507-L510 PolarHBondContact O-N 2.61Å
508	P	91.1	Very high	96.2	Very high	70 Å²	70	36 Å²	36	46%	0.455	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	131.4	170.4	-28.1	35	0	0	0	112.5	L505 K506 L510	L505-P508 VanDerWaalsContact C-CD 3.4Å; L505-P508 WeakPolarHBondContact O-CD 3.45Å; L505-P508 VanDerWaalsContact O-CG 3.32Å; L505-P508 WeakPolarHBondContact O-CG 3.37Å; K506-P508 WeakPolarHBondContact O-CD 3.19Å; P508-L510 VanDerWaalsContact C-N 3.27Å
509	G	93.9	Very high	96.2	Very high	13 Å²	13	39.1 Å²	39.1	13%	0.134	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-5.1	-175.6	0	0	0	0	0	114.4	G507 N547	G507-G509 PolarHBondContact O-N 3.25Å; G509-N547 WeakPolarHBondContact O-CB 3.46Å; G509-N547 PolarHBondContact O-N 3.42Å
510	L	97.7	Very high	96.2	Very high	22 Å²	22	39.7 Å²	39.7	12%	0.115	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.8	176	-53.6	-179.4	0	0	0	110.8	M447 L502 G507 P508 W543 T545 P546 L551	M447-L510 HydrophobicContact CE-CD1 4.1Å; M447-L510 HydrophobicContact CE-CD2 3.43Å; M447-L510 VanDerWaalsContact CE-CD2 3.43Å; M447-L510 HydrophobicContact CE-CG 4.44Å; L502-L510 HydrophobicContact CD1-CD1 3.66Å; G507-L510 WeakPolarHBondContact O-CB 3.28Å; G507-L510 PolarHBondContact O-N 2.61Å; P508-L510 VanDerWaalsContact C-N 3.27Å; L510-W543 WeakPolarHBondContact CB-O 3.21Å; L510-W543 HydrophobicContact CD1-CB 3.43Å; L510-W543 VanDerWaalsContact CD1-CB 3.43Å; L510-T545 CarbonylContact C-O 3.57Å; L510-T545 WeakPolarHBondContact CA-O 3.5Å; L510-P546 HydrophobicContact CD2-CB 4.29Å; L510-L551 HydrophobicContact CD2-CD1 3.94Å; L510-L551 HydrophobicContact CD2-CD2 4.05Å; L510-L551 HydrophobicContact CD2-CG 4.49Å
511	F	98	Very high	96.1	Very high	55 Å²	55	38.8 Å²	38.8	24%	0.241	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.6	169.5	170.6	-90.8	0	0	0	108.3	Y395 E396 V513 G544 T545	Y395-F511 HydrophobicContact CD2-CE2 4.09Å; Y395-F511 AromaticContact CD2-CZ 3.51Å; Y395-F511 HydrophobicContact CD2-CZ 3.51Å; Y395-F511 HydrophobicContact CE2-CE1 4.39Å; Y395-F511 HydrophobicContact CE2-CE2 4.06Å; Y395-F511 AromaticContact CE2-CZ 3.4Å; Y395-F511 HydrophobicContact CE2-CZ 3.4Å; Y395-F511 HydrophobicContact CG-CZ 4.21Å; E396-F511 HydrophobicContact CB-CD1 4.45Å; E396-F511 HydrophobicContact CB-CE1 3.96Å; F511-V513 HydrophobicContact CD1-CG2 3.93Å; F511-V513 HydrophobicContact CE1-CG2 3.97Å; F511-V513 PolarHBondContact O-N 3.3Å; F511-G544 CarbonylContact O-C 3.56Å; F511-G544 VanDerWaalsContact O-CA 3.26Å; F511-G544 WeakPolarHBondContact O-CA 3.4Å; F511-T545 PolarHBondContact N-O 2.74Å; F511-T545 PolarHBondContact O-N 3.24Å
512	D	98.4	Very high	96	Very high	59 Å²	59	46 Å²	46	32%	0.316	25%	0.254	S	S	.	.			trans	-72.5	117.7	179.3	-175.8	7.8	0	0	0	110.8	T514 P535 S536	D512-T514 WeakPolarHBondContact OD1-CG2 3.45Å; D512-P535 WeakPolarHBondContact OD2-CA 3.42Å; D512-S536 PolarHBondContact OD1-N 2.97Å; D512-S536 PolarHBondContact OD2-N 2.9Å
513	V	98.6	Very high	95.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.			trans	-93.9	120.3	179.4	-179	0	0	0	0	107.5	T385 F511 T541 T545	T385-V513 HydrophobicContact CG2-CG1 4.48Å; T385-V513 HydrophobicContact CG2-CG2 3.84Å; F511-V513 HydrophobicContact CD1-CG2 3.93Å; F511-V513 HydrophobicContact CE1-CG2 3.97Å; F511-V513 PolarHBondContact O-N 3.3Å; V513-T541 HydrophobicContact CB-CG2 4.07Å; V513-T541 HydrophobicContact CG1-CG2 3.98Å; V513-T541 HydrophobicContact CG2-CG2 4.47Å; V513-T545 HydrophobicContact CG2-CG2 4.09Å
514	T	98.1	Very high	95.6	Very high	55 Å²	55	55.6 Å²	55.6	34%	0.337	30%	0.3	S	S	.	.			trans	-125.1	6.9	-170.3	59	0	0	0	0	113.8	Y395 D512 P535	Y395-T514 PolarHBondContact OH-OG1 3.49Å; D512-T514 WeakPolarHBondContact OD1-CG2 3.45Å; T514-P535 HydrophobicContact CG2-CB 4.31Å; T514-P535 HydrophobicContact CG2-CG 4.15Å
515	E	98	Very high	95.5	Very high	78 Å²	78	57 Å²	57	36%	0.364	31%	0.306	S	S	.	.	S	Bend	trans	-127.7	132.7	-175.2	-179.4	179.9	167.9	0	0	111.4	K388 Y395 V397 T398	K388-E515 WeakPolarHBondContact CE-OE1 3.23Å; K388-E515 IonicContact NZ-OE1 3.63Å; K388-E515 PolarHBondContact NZ-OE1 3.32Å; K388-E515 IonicContact NZ-OE2 3.76Å; K388-E515 PolarHBondContact NZ-OE2 2.77Å; Y395-E515 HydrophobicContact CE1-CB 4.43Å; V397-E515 HydrophobicContact CG1-CB 4.04Å; V397-E515 HydrophobicContact CG1-CG 4.06Å; T398-E515 WeakPolarHBondContact CB-O 2.98Å; T398-E515 PolarHBondContact N-O 3.33Å; T398-E515 PolarHBondContact OG1-O 3.18Å
516	G	97.9	Very high	95.6	Very high	32 Å²	32	55.6 Å²	55.6	33%	0.33	30%	0.299	S	S	.	.			trans	98.6	160.4	173.9	0	0	0	0	0	113.4	T398 A533	T398-G516 PolarHBondContact OG1-O 3.34Å; T398-G516 VanDerWaalsContact OG1-O 3.13Å; G516-A533 WeakPolarHBondContact O-CB 3.29Å; G516-A533 PolarHBondContact O-N 2.87Å
517	C	98.3	Very high	95.8	Very high	38 Å²	38	56.4 Å²	56.4	26%	0.257	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.3	-175.9	-45.6	0	0	0	0	109	Q529 F531 C532	C517-Q529 HydrophobicContact CB-CG 3.81Å; C517-Q529 PolarHBondContact SG-NE2 3.14Å; C517-F531 VanDerWaalsContact CA-O 3.3Å; C517-F531 WeakPolarHBondContact CA-O 3.43Å; C517-F531 VanDerWaalsContact CB-O 3.29Å; C517-F531 WeakPolarHBondContact CB-O 3.38Å; C517-C532 HydrophobicContact CB-CB 3.94Å; C517-C532 WeakPolarHBondContact CB-SG 3.3Å; C517-C532 VanDerWaalsContact SG-CA 3.6Å; C517-C532 WeakPolarHBondContact SG-CB 3.31Å; C517-C532 CovalentContact SG-SG 2.03Å; C517-C532 PolarHBondContact SG-SG 3.35Å
518	H	98.3	Very high	96.3	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	171	176.5	67.9	-176.6	0	0	0	111.8	A357 T398 Y400 S402 G404 G530 F531 V540	A357-H518 WeakPolarHBondContact CB-NE2 3.43Å; A357-H518 PolarHBondContact N-CE1 2.99Å; A357-H518 VanDerWaalsContact N-CE1 3.34Å; A357-H518 PolarHBondContact N-NE2 3.12Å; T398-H518 HydrophobicContact CG2-CB 4.48Å; Y400-H518 CarbonylContact O-C 3.49Å; Y400-H518 VanDerWaalsContact O-CA 3.3Å; Y400-H518 WeakPolarHBondContact O-CA 3.38Å; Y400-H518 WeakPolarHBondContact O-CB 3.45Å; S402-H518 VanDerWaalsContact O-CB 3.31Å; S402-H518 WeakPolarHBondContact O-CB 3.41Å; S402-H518 PolarHBondContact O-ND1 3.01Å; G404-H518 PolarHBondContact O-CE1 3.28Å; H518-G530 PolarHBondContact O-N 3.11Å; H518-F531 PolarHBondContact CD2-N 2.73Å; H518-F531 PolarHBondContact CD2-O 2.92Å; H518-F531 VanDerWaalsContact CD2-O 3.26Å; H518-F531 AromaticContact CE1-CD2 3.79Å; H518-F531 PolarHBondContact N-O 3.01Å; H518-F531 VanDerWaalsContact N-O 3.08Å; H518-F531 AromaticContact NE2-CD2 3.38Å; H518-F531 WeakPolarHBondContact NE2-CD2 2.84Å; H518-F531 AromaticContact NE2-CG 3.91Å; H518-F531 PolarHBondContact NE2-N 3.29Å; H518-V540 HydrophobicContact CB-CG1 3.91Å
519	L	98.1	Very high	96.6	Very high	68 Å²	68	57.2 Å²	57.2	36%	0.356	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	154.5	177.6	-68.1	170.2	0	0	0	112.2	G356 A357 Y400 G528	G356-L519 CarbonylContact C-O 3.36Å; G356-L519 WeakPolarHBondContact CA-O 3.27Å; A357-L519 PolarHBondContact N-O 3.44Å; Y400-L519 HydrophobicContact CD2-CD1 3.6Å; Y400-L519 HydrophobicContact CD2-CD2 4.07Å; Y400-L519 HydrophobicContact CD2-CG 3.72Å; Y400-L519 HydrophobicContact CE2-CD1 3.97Å; Y400-L519 WeakPolarHBondContact O-CG 3.42Å; Y400-L519 PolarHBondContact O-N 3.24Å; L519-G528 CarbonylContact C-O 3.44Å; L519-G528 WeakPolarHBondContact CA-O 3.49Å
520	G	96.6	Very high	96.8	Very high	12 Å²	12	56.8 Å²	56.8	12%	0.124	30%	0.297	C	S	.	.			trans	-142.7	-160.7	168.9	0	0	0	0	0	110.7	L522 G528	G520-L522 PolarHBondContact O-N 3.06Å; G520-G528 PolarHBondContact N-O 3.13Å
521	C	96.1	Very high	96.8	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	29%	0.292	C	S	.	.			trans	-63.9	128.9	177	-68	0	0	0	0	112.3	C359 N366 Y436 D523 V526 G528	C359-C521 WeakPolarHBondContact CA-SG 2.88Å; C359-C521 HydrophobicContact CB-CB 3.96Å; C359-C521 WeakPolarHBondContact CB-SG 3.24Å; C359-C521 WeakPolarHBondContact SG-CA 2.85Å; C359-C521 WeakPolarHBondContact SG-CB 3.38Å; C359-C521 CovalentContact SG-SG 2.04Å; C359-C521 PolarHBondContact SG-SG 3.2Å; N366-C521 HydrophobicContact CB-CB 4.3Å; Y436-C521 HydrophobicContact CE1-CB 4.15Å; C521-D523 VanDerWaalsContact CB-OD2 3.3Å; C521-D523 WeakPolarHBondContact CB-OD2 3.32Å; C521-D523 PolarHBondContact O-N 3.28Å; C521-V526 HydrophobicContact CB-CG2 3.8Å; C521-V526 WeakPolarHBondContact O-CG2 3.46Å; C521-G528 VanDerWaalsContact O-CA 3.28Å; C521-G528 WeakPolarHBondContact O-CA 3.2Å; C521-G528 PolarHBondContact O-N 3.31Å
522	L	94.6	Very high	96.9	Very high	159 Å²	159	54.1 Å²	54.1	83%	0.832	29%	0.287	S	S	*	.			trans	-75.9	79.5	168.6	-72.4	171.3	0	0	0	109.8	G520	G520-L522 PolarHBondContact O-N 3.06Å
523	D	94	Very high	96.9	Very high	30 Å²	30	51.8 Å²	51.8	16%	0.16	28%	0.276	C	S	.	.	S	Bend	trans	-139.2	177.8	177.6	68.3	37.3	0	0	0	112.2	N366 Y436 C521 K525 V526 Q527	N366-D523 WeakPolarHBondContact CB-OD2 3.45Å; N366-D523 WeakPolarHBondContact ND2-CB 3.33Å; N366-D523 PolarHBondContact ND2-OD2 2.99Å; Y436-D523 VanDerWaalsContact OH-CG 3.28Å; Y436-D523 PolarHBondContact OH-OD1 2.99Å; Y436-D523 PolarHBondContact OH-OD2 2.93Å; C521-D523 VanDerWaalsContact CB-OD2 3.3Å; C521-D523 WeakPolarHBondContact CB-OD2 3.32Å; C521-D523 PolarHBondContact O-N 3.28Å; D523-K525 VanDerWaalsContact C-N 3.28Å; D523-K525 PolarHBondContact O-N 3.12Å; D523-K525 WeakPolarHBondContact OD1-CA 3.31Å; D523-K525 PolarHBondContact OD1-N 3.26Å; D523-V526 PolarHBondContact OD1-N 2.91Å; D523-Q527 WeakPolarHBondContact O-CA 3.49Å; D523-Q527 PolarHBondContact O-N 3.13Å
524	E	93.2	Very high	96.8	Very high	184 Å²	184	52 Å²	52	86%	0.86	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.7	-177.2	-60.9	-179.3	175	0	0	113.9
525	K	94.4	Very high	96.8	Very high	120 Å²	120	54 Å²	54	52%	0.522	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-43.6	-172.6	-62.9	-177	-177.7	174.1	0	112.1	Y436 D523	Y436-K525 HydrophobicContact CE2-CB 4.15Å; Y436-K525 HydrophobicContact CE2-CD 3.91Å; Y436-K525 WeakPolarHBondContact OH-CB 3.18Å; Y436-K525 WeakPolarHBondContact OH-CD 3.42Å; D523-K525 VanDerWaalsContact C-N 3.28Å; D523-K525 PolarHBondContact O-N 3.12Å; D523-K525 WeakPolarHBondContact OD1-CA 3.31Å; D523-K525 PolarHBondContact OD1-N 3.26Å
526	V	95.7	Very high	96.8	Very high	13 Å²	13	53.1 Å²	53.1	8%	0.079	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-5.4	-177.5	-53.8	0	0	0	0	113.6	F368 P433 Y436 C521 D523 G528 Q529	F368-V526 HydrophobicContact CE1-CG2 4.25Å; F368-V526 HydrophobicContact CZ-CG1 4.48Å; P433-V526 HydrophobicContact CG-CG1 4.22Å; Y436-V526 HydrophobicContact CD1-CG1 3.96Å; Y436-V526 HydrophobicContact CD1-CG2 4.35Å; Y436-V526 HydrophobicContact CD2-CG1 4.1Å; Y436-V526 HydrophobicContact CE1-CB 4.44Å; Y436-V526 HydrophobicContact CE1-CG1 3.74Å; Y436-V526 HydrophobicContact CE1-CG2 3.79Å; Y436-V526 HydrophobicContact CE2-CG1 3.9Å; Y436-V526 HydrophobicContact CG-CG1 4.15Å; C521-V526 HydrophobicContact CB-CG2 3.8Å; C521-V526 WeakPolarHBondContact O-CG2 3.46Å; D523-V526 PolarHBondContact OD1-N 2.91Å; V526-G528 VanDerWaalsContact C-N 3.26Å; V526-G528 PolarHBondContact O-N 2.89Å; V526-G528 VanDerWaalsContact O-N 3.1Å; V526-Q529 WeakPolarHBondContact CB-O 3.47Å; V526-Q529 WeakPolarHBondContact O-CB 3.27Å; V526-Q529 PolarHBondContact O-N 3.08Å
527	Q	95.6	Very high	96.8	Very high	156 Å²	156	51.6 Å²	51.6	73%	0.729	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	36.2	166	-56.8	-177.4	7.7	0	0	114.8	D523 Q529	D523-Q527 WeakPolarHBondContact O-CA 3.49Å; D523-Q527 PolarHBondContact O-N 3.13Å; Q527-Q529 VanDerWaalsContact C-N 3.3Å
528	G	96	Very high	96.8	Very high	11 Å²	11	49.8 Å²	49.8	11%	0.113	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	5.1	-179.6	0	0	0	0	0	114.8	L519 G520 C521 V526	L519-G528 CarbonylContact C-O 3.44Å; L519-G528 WeakPolarHBondContact CA-O 3.49Å; G520-G528 PolarHBondContact N-O 3.13Å; C521-G528 VanDerWaalsContact O-CA 3.28Å; C521-G528 WeakPolarHBondContact O-CA 3.2Å; C521-G528 PolarHBondContact O-N 3.31Å; V526-G528 VanDerWaalsContact C-N 3.26Å; V526-G528 PolarHBondContact O-N 2.89Å; V526-G528 VanDerWaalsContact O-N 3.1Å
529	Q	97.5	Very high	96.8	Very high	93 Å²	93	49.7 Å²	49.7	44%	0.435	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.2	-176.9	-170.3	175.5	-9.1	0	0	110.9	C517 V526 Q527 C532	C517-Q529 HydrophobicContact CB-CG 3.81Å; C517-Q529 PolarHBondContact SG-NE2 3.14Å; V526-Q529 WeakPolarHBondContact CB-O 3.47Å; V526-Q529 WeakPolarHBondContact O-CB 3.27Å; V526-Q529 PolarHBondContact O-N 3.08Å; Q527-Q529 VanDerWaalsContact C-N 3.3Å; Q529-C532 PolarHBondContact NE2-SG 3.23Å
530	G	97.8	Very high	96.9	Very high	5 Å²	5	46.5 Å²	46.5	5%	0.052	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-135.2	171.8	0	0	0	0	0	111.5	H518	H518-G530 PolarHBondContact O-N 3.11Å
531	F	98.6	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	158.8	171.2	-56.3	-76.6	0	0	0	112.3	A357 F368 G405 F406 Y423 P432 F437 C517 H518 P539 V540	A357-F531 HydrophobicContact CB-CD2 4.24Å; A357-F531 HydrophobicContact CB-CE2 4.26Å; F368-F531 HydrophobicContact CD2-CD2 4.48Å; F368-F531 AromaticContact CD2-CE2 3.61Å; F368-F531 HydrophobicContact CD2-CE2 3.61Å; F368-F531 AromaticContact CD2-CZ 3.7Å; F368-F531 HydrophobicContact CD2-CZ 3.7Å; F368-F531 HydrophobicContact CE2-CD2 4.4Å; F368-F531 HydrophobicContact CE2-CE1 4.33Å; F368-F531 AromaticContact CE2-CE2 3.84Å; F368-F531 HydrophobicContact CE2-CE2 3.84Å; F368-F531 AromaticContact CE2-CZ 3.8Å; F368-F531 HydrophobicContact CE2-CZ 3.8Å; G405-F531 VanDerWaalsContact CA-CE2 3.49Å; F406-F531 HydrophobicContact CD2-CE1 4.15Å; F406-F531 HydrophobicContact CD2-CE2 4.16Å; F406-F531 AromaticContact CD2-CZ 3.64Å; F406-F531 HydrophobicContact CD2-CZ 3.64Å; F406-F531 HydrophobicContact CE2-CD1 4.45Å; F406-F531 AromaticContact CE2-CE1 3.78Å; F406-F531 HydrophobicContact CE2-CE1 3.78Å; F406-F531 HydrophobicContact CE2-CE2 4.4Å; F406-F531 AromaticContact CE2-CZ 3.75Å; F406-F531 HydrophobicContact CE2-CZ 3.75Å; Y423-F531 HydrophobicContact CE1-CD1 4.45Å; P432-F531 HydrophobicContact CG-CD1 3.98Å; P432-F531 HydrophobicContact CG-CE1 4.09Å; F437-F531 HydrophobicContact CB-CZ 3.83Å; F437-F531 HydrophobicContact CD1-CE1 4.15Å; F437-F531 HydrophobicContact CD1-CZ 4.1Å; F437-F531 AromaticContact CD2-CE1 3.98Å; F437-F531 HydrophobicContact CD2-CE1 3.98Å; F437-F531 AromaticContact CD2-CZ 3.83Å; F437-F531 HydrophobicContact CD2-CZ 3.83Å; F437-F531 HydrophobicContact CE1-CE1 4.27Å; F437-F531 HydrophobicContact CE2-CE1 4.06Å; F437-F531 HydrophobicContact CE2-CZ 4.38Å; F437-F531 HydrophobicContact CG-CE1 4.03Å; F437-F531 AromaticContact CG-CZ 3.66Å; F437-F531 HydrophobicContact CG-CZ 3.66Å; F437-F531 HydrophobicContact CZ-CE1 4.23Å; C517-F531 VanDerWaalsContact CA-O 3.3Å; C517-F531 WeakPolarHBondContact CA-O 3.43Å; C517-F531 VanDerWaalsContact CB-O 3.29Å; C517-F531 WeakPolarHBondContact CB-O 3.38Å; H518-F531 PolarHBondContact CD2-N 2.73Å; H518-F531 PolarHBondContact CD2-O 2.92Å; H518-F531 VanDerWaalsContact CD2-O 3.26Å; H518-F531 AromaticContact CE1-CD2 3.79Å; H518-F531 PolarHBondContact N-O 3.01Å; H518-F531 VanDerWaalsContact N-O 3.08Å; H518-F531 AromaticContact NE2-CD2 3.38Å; H518-F531 WeakPolarHBondContact NE2-CD2 2.84Å; H518-F531 AromaticContact NE2-CG 3.91Å; H518-F531 PolarHBondContact NE2-N 3.29Å; F531-P539 HydrophobicContact CB-CG 3.7Å; F531-P539 HydrophobicContact CD1-CG 3.9Å; F531-P539 HydrophobicContact CD2-CB 4.41Å; F531-P539 HydrophobicContact CD2-CG 4.1Å; F531-P539 HydrophobicContact CG-CB 4.4Å; F531-P539 HydrophobicContact CG-CG 3.62Å; F531-V540 HydrophobicContact CB-CG2 3.75Å; F531-V540 WeakPolarHBondContact O-CG2 3.39Å
532	C	98.5	Very high	97.1	Very high	20 Å²	20	45.9 Å²	45.9	14%	0.135	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.2	176.1	-64.6	0	0	0	0	111.1	Y423 C517 Q529	Y423-C532 WeakPolarHBondContact CE2-O 3.46Å; Y423-C532 PolarHBondContact OH-O 3.4Å; C517-C532 HydrophobicContact CB-CB 3.94Å; C517-C532 WeakPolarHBondContact CB-SG 3.3Å; C517-C532 VanDerWaalsContact SG-CA 3.6Å; C517-C532 WeakPolarHBondContact SG-CB 3.31Å; C517-C532 CovalentContact SG-SG 2.03Å; C517-C532 PolarHBondContact SG-SG 3.35Å; Q529-C532 PolarHBondContact NE2-SG 3.23Å
533	A	98.3	Very high	97.3	Very high	11 Å²	11	38.8 Å²	38.8	9%	0.091	21%	0.205	C	C	.	.			trans	-64.1	147.5	168.5	0	0	0	0	0	111	T398 G516 D538	T398-A533 WeakPolarHBondContact OG1-CB 3.43Å; G516-A533 WeakPolarHBondContact O-CB 3.29Å; G516-A533 PolarHBondContact O-N 2.87Å; A533-D538 WeakPolarHBondContact CA-OD2 3.43Å; A533-D538 WeakPolarHBondContact CB-OD2 3.39Å
534	A	97.5	Very high	97.5	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.041	20%	0.197	C	C	.	.			trans	-154.2	160	-176.7	0	0	0	0	0	109.7	Y423 V427 S536 D538	Y423-A534 HydrophobicContact CD2-CB 4.24Å; Y423-A534 HydrophobicContact CE2-CB 4.03Å; V427-A534 HydrophobicContact CG1-CB 3.59Å; A534-S536 PolarHBondContact O-N 3.1Å; A534-D538 PolarHBondContact N-OD2 2.94Å
535	P	97.7	Very high	97.8	Very high	95 Å²	95	28.7 Å²	28.7	62%	0.617	16%	0.156	S	C	*	.	S	Bend	trans	-52.6	137.4	177	-25.9	34.4	0	0	0	112.6	D512 T514	D512-P535 WeakPolarHBondContact OD2-CA 3.42Å; T514-P535 HydrophobicContact CG2-CB 4.31Å; T514-P535 HydrophobicContact CG2-CG 4.15Å
536	S	97.2	Very high	97.9	Very high	60 Å²	60	23 Å²	23	42%	0.42	13%	0.132	S	C	.	.	S	Bend	trans	76.3	-152.3	-172.4	-163.4	0	0	0	0	112.7	D512 A534 W543	D512-S536 PolarHBondContact OD1-N 2.97Å; D512-S536 PolarHBondContact OD2-N 2.9Å; A534-S536 PolarHBondContact O-N 3.1Å; S536-W543 VanDerWaalsContact OG-CZ3 3.27Å; S536-W543 WeakPolarHBondContact OG-CZ3 3.44Å
537	W	98.7	Very high	98.1	Very high	1 Å²	1	25 Å²	25	0%	0.004	14%	0.142	C	C	.	.			trans	-68.5	137.9	178.5	-179	89.6	0	0	0	112.1	A419 V420 Y423 A443 P445 Y503 P539 G542 W543	A419-W537 HydrophobicContact CB-CB 3.9Å; A419-W537 HydrophobicContact CB-CD2 4.34Å; A419-W537 HydrophobicContact CB-CG 4.06Å; V420-W537 HydrophobicContact CB-CZ3 4.26Å; V420-W537 HydrophobicContact CG2-CE3 4.21Å; V420-W537 HydrophobicContact CG2-CH2 3.85Å; V420-W537 HydrophobicContact CG2-CZ2 4.42Å; V420-W537 HydrophobicContact CG2-CZ3 3.72Å; Y423-W537 HydrophobicContact CD1-CZ3 4.39Å; Y423-W537 HydrophobicContact CG-CE3 4.43Å; Y423-W537 HydrophobicContact CG-CZ3 4.2Å; A443-W537 HydrophobicContact CB-CH2 3.39Å; A443-W537 HydrophobicContact CB-CZ2 3.88Å; A443-W537 HydrophobicContact CB-CZ3 4.38Å; P445-W537 PolarHBondContact O-NE1 3.49Å; Y503-W537 AromaticContact CE1-CD1 3.78Å; Y503-W537 HydrophobicContact CE1-CG 4.23Å; Y503-W537 AromaticContact CE1-NE1 3.91Å; Y503-W537 AromaticContact CZ-CD1 3.93Å; Y503-W537 AromaticContact CZ-NE1 3.72Å; Y503-W537 PolarHBondContact OH-NE1 2.83Å; W537-P539 HydrophobicContact CH2-CB 3.78Å; W537-P539 HydrophobicContact CH2-CG 4.4Å; W537-P539 HydrophobicContact CZ2-CB 4.37Å; W537-P539 HydrophobicContact CZ3-CB 4.46Å; W537-G542 VanDerWaalsContact CA-O 3.31Å; W537-G542 WeakPolarHBondContact CA-O 3.09Å; W537-G542 VanDerWaalsContact CD1-C 3.41Å; W537-W543 HydrophobicContact CB-CD2 3.89Å; W537-W543 HydrophobicContact CB-CE3 3.95Å; W537-W543 HydrophobicContact CB-CH2 4.08Å; W537-W543 HydrophobicContact CB-CZ2 4.04Å; W537-W543 HydrophobicContact CB-CZ3 4.04Å; W537-W543 AromaticContact CD1-CD1 3.76Å; W537-W543 AromaticContact CD1-NE1 3.74Å; W537-W543 HydrophobicContact CG-CD2 4.46Å
538	D	98.8	Very high	98.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-139.6	158.1	170.8	66.7	62.2	0	0	0	112.6	Y423 A533 A534 V540 T541 G542	Y423-D538 HydrophobicContact CD2-CB 3.68Å; Y423-D538 HydrophobicContact CE2-CB 3.54Å; A533-D538 WeakPolarHBondContact CA-OD2 3.43Å; A533-D538 WeakPolarHBondContact CB-OD2 3.39Å; A534-D538 PolarHBondContact N-OD2 2.94Å; D538-V540 PolarHBondContact O-N 2.62Å; D538-V540 WeakPolarHBondContact OD1-CA 3.42Å; D538-V540 VanDerWaalsContact OD1-CB 3.31Å; D538-V540 WeakPolarHBondContact OD1-CB 3.21Å; D538-V540 PolarHBondContact OD1-N 2.78Å; D538-T541 PolarHBondContact OD1-N 3.37Å; D538-T541 PolarHBondContact OD1-OG1 3.24Å; D538-T541 PolarHBondContact OD2-OG1 3.23Å; D538-G542 PolarHBondContact N-O 3.34Å; D538-G542 VanDerWaalsContact N-O 3.13Å; D538-G542 WeakPolarHBondContact O-CA 3.45Å; D538-G542 PolarHBondContact O-N 2.92Å
539	P	98.7	Very high	98.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	33.3	179.4	35.9	-36.1	0	0	0	112.6	G404 G405 F406 Y423 Y444 F531 W537	G404-P539 CarbonylContact C-O 3.59Å; G404-P539 VanDerWaalsContact CA-O 3.23Å; G404-P539 WeakPolarHBondContact CA-O 3.31Å; G405-P539 PolarHBondContact N-O 2.87Å; F406-P539 HydrophobicContact CE2-CB 4.17Å; F406-P539 HydrophobicContact CE2-CG 4.15Å; Y423-P539 HydrophobicContact CD1-CG 4.21Å; Y423-P539 HydrophobicContact CE1-CG 3.59Å; Y423-P539 VanDerWaalsContact CE2-CD 3.47Å; Y423-P539 HydrophobicContact CE2-CG 4.44Å; Y444-P539 CarbonylContact O-C 3.57Å; Y444-P539 VanDerWaalsContact O-CA 3.27Å; Y444-P539 WeakPolarHBondContact O-CA 3.31Å; F531-P539 HydrophobicContact CB-CG 3.7Å; F531-P539 HydrophobicContact CD1-CG 3.9Å; F531-P539 HydrophobicContact CD2-CB 4.41Å; F531-P539 HydrophobicContact CD2-CG 4.1Å; F531-P539 HydrophobicContact CG-CB 4.4Å; F531-P539 HydrophobicContact CG-CG 3.62Å; W537-P539 HydrophobicContact CH2-CB 3.78Å; W537-P539 HydrophobicContact CH2-CG 4.4Å; W537-P539 HydrophobicContact CZ2-CB 4.37Å; W537-P539 HydrophobicContact CZ3-CB 4.46Å
540	V	98.7	Very high	98.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	-42.8	175.1	-173	0	0	0	0	111.2	T398 S402 P445 H518 F531 D538	T398-V540 HydrophobicContact CG2-CG1 3.4Å; S402-V540 PolarHBondContact OG-O 3.31Å; P445-V540 WeakPolarHBondContact CG-O 3.49Å; H518-V540 HydrophobicContact CB-CG1 3.91Å; F531-V540 HydrophobicContact CB-CG2 3.75Å; F531-V540 WeakPolarHBondContact O-CG2 3.39Å; D538-V540 PolarHBondContact O-N 2.62Å; D538-V540 WeakPolarHBondContact OD1-CA 3.42Å; D538-V540 VanDerWaalsContact OD1-CB 3.31Å; D538-V540 WeakPolarHBondContact OD1-CB 3.21Å; D538-V540 PolarHBondContact OD1-N 2.78Å
541	T	98.8	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129	0.7	-177.7	68.2	0	0	0	0	113.5	T385 M447 A448 V513 D538 G544	T385-T541 HydrophobicContact CG2-CG2 4Å; M447-T541 CarbonylContact C-O 3.49Å; M447-T541 VanDerWaalsContact C-O 3.28Å; A448-T541 HydrophobicContact CB-CG2 4.41Å; A448-T541 WeakPolarHBondContact CB-O 3.29Å; A448-T541 PolarHBondContact N-O 2.84Å; V513-T541 HydrophobicContact CB-CG2 4.07Å; V513-T541 HydrophobicContact CG1-CG2 3.98Å; V513-T541 HydrophobicContact CG2-CG2 4.47Å; D538-T541 PolarHBondContact OD1-N 3.37Å; D538-T541 PolarHBondContact OD1-OG1 3.24Å; D538-T541 PolarHBondContact OD2-OG1 3.23Å; T541-G544 WeakPolarHBondContact O-CA 3.37Å; T541-G544 PolarHBondContact O-N 2.87Å
542	G	98.7	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	66.8	-133.8	178.9	0	0	0	0	0	110.2	P445 W537 D538 G544	P445-G542 WeakPolarHBondContact O-CA 3.3Å; W537-G542 VanDerWaalsContact CA-O 3.31Å; W537-G542 WeakPolarHBondContact CA-O 3.09Å; W537-G542 VanDerWaalsContact CD1-C 3.41Å; D538-G542 PolarHBondContact N-O 3.34Å; D538-G542 VanDerWaalsContact N-O 3.13Å; D538-G542 WeakPolarHBondContact O-CA 3.45Å; D538-G542 PolarHBondContact O-N 2.92Å; G542-G544 PolarHBondContact O-N 3.42Å
543	W	98.7	Very high	98.2	Very high	11 Å²	11	20.8 Å²	20.8	4%	0.042	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	1.5	171.9	-68.5	103.7	0	0	0	114	A419 D446 L502 Y503 K506 L510 S536 W537	A419-W543 HydrophobicContact CB-CH2 4.03Å; A419-W543 HydrophobicContact CB-CZ2 3.65Å; D446-W543 PolarHBondContact O-N 2.73Å; L502-W543 HydrophobicContact CG-CG 4.49Å; Y503-W543 AromaticContact CD1-CE2 3.74Å; Y503-W543 AromaticContact CD1-CZ2 3.68Å; Y503-W543 HydrophobicContact CD1-CZ2 3.68Å; Y503-W543 AromaticContact CD1-NE1 3.21Å; Y503-W543 AromaticContact CD2-NE1 3.73Å; Y503-W543 HydrophobicContact CE1-CZ2 4.23Å; Y503-W543 AromaticContact CE1-NE1 3.35Å; Y503-W543 VanDerWaalsContact CE1-NE1 3.35Å; Y503-W543 AromaticContact CE2-NE1 3.89Å; Y503-W543 HydrophobicContact CG-CZ2 4.32Å; Y503-W543 AromaticContact CG-NE1 3.42Å; Y503-W543 AromaticContact CZ-NE1 3.72Å; K506-W543 VanDerWaalsContact C-CZ3 3.44Å; K506-W543 HydrophobicContact CB-CH2 3.82Å; K506-W543 HydrophobicContact CB-CZ3 3.99Å; K506-W543 HydrophobicContact CG-CH2 4.11Å; L510-W543 WeakPolarHBondContact CB-O 3.21Å; L510-W543 HydrophobicContact CD1-CB 3.43Å; L510-W543 VanDerWaalsContact CD1-CB 3.43Å; S536-W543 VanDerWaalsContact OG-CZ3 3.27Å; S536-W543 WeakPolarHBondContact OG-CZ3 3.44Å; W537-W543 HydrophobicContact CB-CD2 3.89Å; W537-W543 HydrophobicContact CB-CE3 3.95Å; W537-W543 HydrophobicContact CB-CH2 4.08Å; W537-W543 HydrophobicContact CB-CZ2 4.04Å; W537-W543 HydrophobicContact CB-CZ3 4.04Å; W537-W543 AromaticContact CD1-CD1 3.76Å; W537-W543 AromaticContact CD1-NE1 3.74Å; W537-W543 HydrophobicContact CG-CD2 4.46Å
544	G	98.5	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.141	C	C	.	.			trans	97.4	-157.4	179.2	0	0	0	0	0	114.1	A448 F511 T541 G542	A448-G544 PolarHBondContact N-O 3.39Å; F511-G544 CarbonylContact O-C 3.56Å; F511-G544 VanDerWaalsContact O-CA 3.26Å; F511-G544 WeakPolarHBondContact O-CA 3.4Å; T541-G544 WeakPolarHBondContact O-CA 3.37Å; T541-G544 PolarHBondContact O-N 2.87Å; G542-G544 PolarHBondContact O-N 3.42Å
545	T	98.8	Very high	98	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	149.4	-166.8	70	0	0	0	0	113.7	T385 E396 A448 L510 F511 V513 N547	T385-T545 HydrophobicContact CG2-CG2 3.6Å; E396-T545 VanDerWaalsContact OE2-CB 3.24Å; E396-T545 WeakPolarHBondContact OE2-CB 3.43Å; E396-T545 WeakPolarHBondContact OE2-CG2 3.39Å; E396-T545 PolarHBondContact OE2-OG1 2.96Å; A448-T545 HydrophobicContact CB-CG2 4.1Å; A448-T545 VanDerWaalsContact O-CA 3.28Å; A448-T545 WeakPolarHBondContact O-CA 3.42Å; L510-T545 CarbonylContact C-O 3.57Å; L510-T545 WeakPolarHBondContact CA-O 3.5Å; F511-T545 PolarHBondContact N-O 2.74Å; F511-T545 PolarHBondContact O-N 3.24Å; V513-T545 HydrophobicContact CG2-CG2 4.09Å; T545-N547 PolarHBondContact O-N 3.25Å
546	P	98.3	Very high	97.8	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.013	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.4	-172.5	27.1	-35.5	0	0	0	113.6	Y204 A448 V476 M479 L510 L551	Y204-P546 WeakPolarHBondContact CB-O 3.18Å; Y204-P546 HydrophobicContact CD1-CG 4.24Å; Y204-P546 WeakPolarHBondContact CD1-O 3.33Å; Y204-P546 HydrophobicContact CE1-CG 4.43Å; Y204-P546 HydrophobicContact CG-CG 4.34Å; A448-P546 VanDerWaalsContact O-CD 3.25Å; A448-P546 WeakPolarHBondContact O-CD 3.4Å; V476-P546 HydrophobicContact CG2-CG 4.48Å; M479-P546 HydrophobicContact CE-CB 4.08Å; M479-P546 HydrophobicContact CE-CG 3.22Å; M479-P546 HydrophobicContact SD-CB 3.94Å; M479-P546 HydrophobicContact SD-CG 3.71Å; L510-P546 HydrophobicContact CD2-CB 4.29Å; P546-L551 HydrophobicContact CB-CD2 3.78Å
547	N	98.3	Very high	96.9	Very high	53 Å²	53	17.5 Å²	17.5	28%	0.283	12%	0.117	S	C	.	.			trans	-97.2	96.3	158	178.4	-1.4	0	0	0	107.9	N205 G509 T545 P549 A550 L551	N205-N547 PolarHBondContact ND2-OD1 2.95Å; G509-N547 WeakPolarHBondContact O-CB 3.46Å; G509-N547 PolarHBondContact O-N 3.42Å; T545-N547 PolarHBondContact O-N 3.25Å; N547-P549 WeakPolarHBondContact OD1-CD 3.2Å; N547-P549 WeakPolarHBondContact OD1-CG 3.42Å; N547-A550 HydrophobicContact CB-CB 4.34Å; N547-A550 PolarHBondContact O-N 2.93Å; N547-L551 WeakPolarHBondContact O-CB 3.45Å; N547-L551 PolarHBondContact O-N 2.9Å
548	Y	98.5	Very high	94.9	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-45.5	-55.7	-166.9	176.9	-101.3	0	0	0	115.2	Y204 L206 D210 M479 L482 I483 A550 L551 L552	Y204-Y548 WeakPolarHBondContact O-CB 3.48Å; Y204-Y548 PolarHBondContact O-N 2.69Å; L206-Y548 HydrophobicContact CD2-CD1 3.64Å; L206-Y548 HydrophobicContact CD2-CD2 3.7Å; L206-Y548 HydrophobicContact CD2-CE1 4.01Å; L206-Y548 HydrophobicContact CD2-CE2 4.04Å; L206-Y548 HydrophobicContact CD2-CG 3.48Å; L206-Y548 VanDerWaalsContact CD2-CG 3.48Å; L206-Y548 HydrophobicContact CG-CD1 4.38Å; L206-Y548 HydrophobicContact CG-CG 4.09Å; D210-Y548 HydrophobicContact CB-CD1 4.46Å; D210-Y548 HydrophobicContact CB-CE1 3.92Å; D210-Y548 VanDerWaalsContact CG-CE1 3.49Å; D210-Y548 WeakPolarHBondContact OD1-CE1 3.41Å; M479-Y548 HydrophobicContact CB-CD2 4.18Å; M479-Y548 HydrophobicContact CG-CD2 4.06Å; L482-Y548 HydrophobicContact CB-CE2 3.77Å; L482-Y548 WeakPolarHBondContact CB-OH 3.33Å; L482-Y548 HydrophobicContact CD1-CE2 3.98Å; I483-Y548 HydrophobicContact CD1-CE2 4.43Å; I483-Y548 HydrophobicContact CG1-CE2 3.94Å; Y548-A550 VanDerWaalsContact C-N 3.32Å; Y548-A550 PolarHBondContact O-N 3.11Å; Y548-L551 PolarHBondContact O-N 3.23Å; Y548-L552 HydrophobicContact CE1-CD2 4.15Å; Y548-L552 WeakPolarHBondContact O-CB 3.32Å; Y548-L552 PolarHBondContact O-N 3.03Å
549	P	98.2	Very high	94.7	Very high	62 Å²	62	28.2 Å²	28.2	40%	0.403	17%	0.168	S	C	.	.	H	α-helix	trans	-63	-37.1	-177.3	23.1	-34.5	0	0	0	113.1	N205 N547 A553	N205-P549 HydrophobicContact CB-CG 3.95Å; N547-P549 WeakPolarHBondContact OD1-CD 3.2Å; N547-P549 WeakPolarHBondContact OD1-CG 3.42Å; P549-A553 PolarHBondContact O-N 2.83Å; P549-A553 VanDerWaalsContact O-N 3.11Å
550	A	97.9	Very high	94.5	Very high	41 Å²	41	29.7 Å²	29.7	34%	0.339	18%	0.177	S	C	.	.	H	α-helix	trans	-74.5	-39.5	179	0	0	0	0	0	111.4	N547 Y548 A553 A554	N547-A550 HydrophobicContact CB-CB 4.34Å; N547-A550 PolarHBondContact O-N 2.93Å; Y548-A550 VanDerWaalsContact C-N 3.32Å; Y548-A550 PolarHBondContact O-N 3.11Å; A550-A553 PolarHBondContact O-N 2.76Å; A550-A554 PolarHBondContact O-N 2.99Å; A550-A554 VanDerWaalsContact O-N 3.08Å
551	L	98.1	Very high	94.3	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-43.1	174.2	-175	59.6	0	0	0	111.5	M447 I483 L510 P546 N547 Y548 A553 A554 L555	M447-L551 HydrophobicContact CE-CD2 4.27Å; I483-L551 HydrophobicContact CD1-CD2 4.11Å; I483-L551 HydrophobicContact CD1-CG 4.01Å; L510-L551 HydrophobicContact CD2-CD1 3.94Å; L510-L551 HydrophobicContact CD2-CD2 4.05Å; L510-L551 HydrophobicContact CD2-CG 4.49Å; P546-L551 HydrophobicContact CB-CD2 3.78Å; N547-L551 WeakPolarHBondContact O-CB 3.45Å; N547-L551 PolarHBondContact O-N 2.9Å; Y548-L551 PolarHBondContact O-N 3.23Å; L551-A553 VanDerWaalsContact C-N 3.34Å; L551-A553 PolarHBondContact O-N 2.7Å; L551-A554 PolarHBondContact O-N 2.03Å; L551-L555 HydrophobicContact CD1-CD1 3.74Å; L551-L555 HydrophobicContact CD1-CG 4.03Å; L551-L555 HydrophobicContact CG-CD1 3.88Å; L551-L555 HydrophobicContact CG-CG 4.42Å; L551-L555 WeakPolarHBondContact O-CB 3.45Å; L551-L555 WeakPolarHBondContact O-CG 3.02Å; L551-L555 PolarHBondContact O-N 3.41Å
552	L	97.6	Very high	94	Very high	26 Å²	26	33.2 Å²	33.2	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-56.1	-48.3	173.7	174	63.8	0	0	0	110.7	I483 Q486 Y548 A554 L555 L556	I483-L552 HydrophobicContact CB-CD1 4.24Å; I483-L552 HydrophobicContact CG1-CB 4.21Å; I483-L552 HydrophobicContact CG1-CD1 3.82Å; I483-L552 HydrophobicContact CG2-CD1 4.16Å; Q486-L552 HydrophobicContact CB-CD1 3.8Å; Q486-L552 HydrophobicContact CG-CD1 3.88Å; Q486-L552 HydrophobicContact CG-CD2 4.36Å; Y548-L552 HydrophobicContact CE1-CD2 4.15Å; Y548-L552 WeakPolarHBondContact O-CB 3.32Å; Y548-L552 PolarHBondContact O-N 3.03Å; L552-A554 PolarHBondContact O-N 3.05Å; L552-L555 CarbonylContact O-C 3.45Å; L552-L555 PolarHBondContact O-N 3Å; L552-L556 HydrophobicContact CD1-CD1 3.66Å; L552-L556 HydrophobicContact CD1-CD2 4.46Å; L552-L556 HydrophobicContact CD1-CG 3.85Å; L552-L556 HydrophobicContact CG-CD1 3.83Å; L552-L556 HydrophobicContact CG-CG 4.36Å; L552-L556 WeakPolarHBondContact O-CB 3.25Å; L552-L556 VanDerWaalsContact O-CG 3.23Å; L552-L556 WeakPolarHBondContact O-CG 3.38Å; L552-L556 PolarHBondContact O-N 3.02Å
553	A	97.1	Very high	93.7	Very high	62 Å²	62	35.3 Å²	35.3	51%	0.512	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-45.8	178.1	0	0	0	0	0	112.2	P549 A550 L551 L555 L556 S557	P549-A553 PolarHBondContact O-N 2.83Å; P549-A553 VanDerWaalsContact O-N 3.11Å; A550-A553 PolarHBondContact O-N 2.76Å; L551-A553 VanDerWaalsContact C-N 3.34Å; L551-A553 PolarHBondContact O-N 2.7Å; A553-L555 VanDerWaalsContact C-N 3.3Å; A553-L555 PolarHBondContact O-N 3.49Å; A553-L556 PolarHBondContact O-N 3.47Å; A553-S557 PolarHBondContact O-N 3.18Å
554	A	95.9	Very high	93.4	Very high	13 Å²	13	36.9 Å²	36.9	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-29.8	178.4	0	0	0	0	0	113.4	R501 L505 A550 L551 L552 S557	R501-A554 PolarHBondContact NH2-O 3.14Å; L505-A554 HydrophobicContact CD1-CB 3.96Å; L505-A554 HydrophobicContact CD2-CB 4.12Å; A550-A554 PolarHBondContact O-N 2.99Å; A550-A554 VanDerWaalsContact O-N 3.08Å; L551-A554 PolarHBondContact O-N 2.03Å; L552-A554 PolarHBondContact O-N 3.05Å; A554-S557 PolarHBondContact O-OG 2.92Å; A554-S557 VanDerWaalsContact O-OG 3.06Å
555	L	95.8	Very high	93	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-93.1	-1.2	179	-67.1	-177.4	0	0	0	113.7	L480 I483 R487 L495 L498 R501 L505 L551 L552 A553	L480-L555 HydrophobicContact CD2-CD1 4.15Å; I483-L555 HydrophobicContact CD1-CD1 4.1Å; I483-L555 HydrophobicContact CG2-CB 3.87Å; I483-L555 HydrophobicContact CG2-CD1 4.4Å; R487-L555 PolarHBondContact NH1-O 2.72Å; L495-L555 HydrophobicContact CD1-CD1 4.07Å; L495-L555 HydrophobicContact CD2-CB 4.18Å; L495-L555 HydrophobicContact CD2-CD1 4.33Å; L495-L555 HydrophobicContact CD2-CD2 4.19Å; L495-L555 HydrophobicContact CD2-CG 4.47Å; L498-L555 HydrophobicContact CD1-CD1 4.25Å; L498-L555 HydrophobicContact CD1-CD2 4.03Å; R501-L555 HydrophobicContact CG-CD2 4.04Å; R501-L555 VanDerWaalsContact NE-CD2 3.28Å; R501-L555 VanDerWaalsContact NH2-C 3.26Å; R501-L555 VanDerWaalsContact NH2-CA 3.33Å; R501-L555 PolarHBondContact NH2-O 3.35Å; L505-L555 HydrophobicContact CD1-CD2 3.8Å; L505-L555 HydrophobicContact CD1-CG 4.49Å; L551-L555 HydrophobicContact CD1-CD1 3.74Å; L551-L555 HydrophobicContact CD1-CG 4.03Å; L551-L555 HydrophobicContact CG-CD1 3.88Å; L551-L555 HydrophobicContact CG-CG 4.42Å; L551-L555 WeakPolarHBondContact O-CB 3.45Å; L551-L555 WeakPolarHBondContact O-CG 3.02Å; L551-L555 PolarHBondContact O-N 3.41Å; L552-L555 CarbonylContact O-C 3.45Å; L552-L555 PolarHBondContact O-N 3Å; A553-L555 VanDerWaalsContact C-N 3.3Å; A553-L555 PolarHBondContact O-N 3.49Å
556	L	93.3	Very high	92.6	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.12	26%	0.256	C	S	.	.	H	α-helix	trans	-99.7	-26	170.4	-76.6	177	0	0	0	113.5	Q486 R487 L492 L552 A553	Q486-L556 HydrophobicContact CB-CD2 4.34Å; R487-L556 HydrophobicContact CG-CD2 3.75Å; L492-L556 HydrophobicContact CD1-CD2 4.43Å; L552-L556 HydrophobicContact CD1-CD1 3.66Å; L552-L556 HydrophobicContact CD1-CD2 4.46Å; L552-L556 HydrophobicContact CD1-CG 3.85Å; L552-L556 HydrophobicContact CG-CD1 3.83Å; L552-L556 HydrophobicContact CG-CG 4.36Å; L552-L556 WeakPolarHBondContact O-CB 3.25Å; L552-L556 VanDerWaalsContact O-CG 3.23Å; L552-L556 WeakPolarHBondContact O-CG 3.38Å; L552-L556 PolarHBondContact O-N 3.02Å; A553-L556 PolarHBondContact O-N 3.47Å
557	S	77.3	Confident	92.1	Very high	63 Å²	63	45.8 Å²	45.8	44%	0.441	28%	0.276	S	S	.	.			trans	-59.6	142	173.7	59.5	0	0	0	0	110.1	R501 A553 A554	R501-S557 PolarHBondContact NH2-O 2.82Å; A553-S557 PolarHBondContact O-N 3.18Å; A554-S557 PolarHBondContact O-OG 2.92Å; A554-S557 VanDerWaalsContact O-OG 3.06Å
558	Q	57.4	Low	91.6	Very high	198 Å²	198	45.2 Å²	45.2	93%	0.925	28%	0.275	S	S	*	.			trans	-71.3	0	175.9	-73.2	-172.6	-1.6	0	0	110.5

Retrieved 558 of 558 residues in 1123.8 ms (Link to these results)

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