A0A087YD36_POEFO Loading...

TBL1X/Y related 1

AlphaFold DB , UniProt , Accession A0A087YD36, Species POEFO (Poecilia formosa, Amazon molly), Gene TBL1XR1, Length 515 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.3	Low	84.9	Confident	244 Å²	244	86.8 Å²	86.8	100%	1.202	49%	0.486	S	S	*	.				0	121.9	0	-93.4	175.8	-93.2	0	0	107
2	S	70.6	Confident	85.7	Confident	117 Å²	117	83 Å²	83	82%	0.818	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-100.2	120.5	170.3	52.6	0	0	0	0	107.5
3	I	83.3	Confident	86.3	Confident	136 Å²	136	80 Å²	80	70%	0.697	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-89.3	128.1	170	-61.9	173.2	0	0	0	106.5	V8	I3-V8 HydrophobicContact CG2-CG2 3.34Å
4	S	88.7	Confident	86.7	Confident	48 Å²	48	77.9 Å²	77.9	34%	0.336	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-87.8	153.6	175.7	69.1	0	0	0	0	111.8	D6 E7 V8	S4-D6 PolarHBondContact O-N 3.22Å; S4-E7 WeakPolarHBondContact CB-OE2 3.02Å; S4-E7 PolarHBondContact N-OE2 3.36Å; S4-E7 PolarHBondContact O-N 3.42Å; S4-E7 WeakPolarHBondContact OG-CB 3.32Å; S4-E7 WeakPolarHBondContact OG-CG 3.3Å; S4-E7 PolarHBondContact OG-N 2.97Å; S4-E7 PolarHBondContact OG-OE2 2.85Å; S4-V8 PolarHBondContact O-N 3.47Å
5	S	86.8	Confident	87.2	Confident	79 Å²	79	78.5 Å²	78.5	55%	0.552	42%	0.42	S	S	*	.	H	α-helix	trans	-60.7	-34.3	174.1	-170.1	0	0	0	0	111.7	V8 N9	S5-V8 PolarHBondContact O-N 3.15Å; S5-N9 VanDerWaalsContact O-CB 3.26Å; S5-N9 WeakPolarHBondContact O-CB 3.42Å; S5-N9 PolarHBondContact O-N 3.42Å; S5-N9 PolarHBondContact O-ND2 3.04Å; S5-N9 PolarHBondContact OG-ND2 3.37Å
6	D	87.7	Confident	87.7	Confident	91 Å²	91	75.3 Å²	75.3	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-66.6	-40.2	-178.7	-63.4	-9.3	0	0	0	111.5	S4 F10 I39	S4-D6 PolarHBondContact O-N 3.22Å; D6-F10 VanDerWaalsContact O-CB 3.27Å; D6-F10 WeakPolarHBondContact O-CB 3.34Å; D6-F10 PolarHBondContact O-N 3.4Å; D6-I39 HydrophobicContact CB-CD1 4.42Å; D6-I39 WeakPolarHBondContact O-CD1 3.47Å
7	E	90.8	Very high	87.7	Confident	95 Å²	95	74.5 Å²	74.5	44%	0.444	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-43.3	175.4	-72.1	162.1	140	0	0	111.7	S4 F10 L11 I39	S4-E7 WeakPolarHBondContact CB-OE2 3.02Å; S4-E7 PolarHBondContact N-OE2 3.36Å; S4-E7 PolarHBondContact O-N 3.42Å; S4-E7 WeakPolarHBondContact OG-CB 3.32Å; S4-E7 WeakPolarHBondContact OG-CG 3.3Å; S4-E7 PolarHBondContact OG-N 2.97Å; S4-E7 PolarHBondContact OG-OE2 2.85Å; E7-F10 PolarHBondContact O-N 3.1Å; E7-L11 WeakPolarHBondContact O-CG 3.48Å; E7-L11 PolarHBondContact O-N 3.3Å; E7-L11 VanDerWaalsContact O-N 3.08Å; E7-I39 HydrophobicContact CB-CD1 4.43Å; E7-I39 HydrophobicContact CG-CD1 4.07Å
8	V	91.9	Very high	87.8	Confident	66 Å²	66	74.1 Å²	74.1	40%	0.4	39%	0.391	S	S	.	.	H	α-helix	trans	-66.9	-48	178.6	177.7	0	0	0	0	110.6	I3 S4 S5 F10 L11 V12	I3-V8 HydrophobicContact CG2-CG2 3.34Å; S4-V8 PolarHBondContact O-N 3.47Å; S5-V8 PolarHBondContact O-N 3.15Å; V8-F10 VanDerWaalsContact C-N 3.28Å; V8-F10 PolarHBondContact O-N 3.1Å; V8-L11 PolarHBondContact O-N 3.26Å; V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.42Å; V8-V12 PolarHBondContact O-N 2.78Å
9	N	93.4	Very high	87.8	Confident	33 Å²	33	72.7 Å²	72.7	18%	0.176	39%	0.388	C	S	.	.	H	α-helix	trans	-58.6	-43.7	177.8	-70.3	-18.7	0	0	0	110.3	S5 L11 V12 Y13 F28 I34	S5-N9 VanDerWaalsContact O-CB 3.26Å; S5-N9 WeakPolarHBondContact O-CB 3.42Å; S5-N9 PolarHBondContact O-N 3.42Å; S5-N9 PolarHBondContact O-ND2 3.04Å; S5-N9 PolarHBondContact OG-ND2 3.37Å; N9-L11 PolarHBondContact O-N 2.88Å; N9-V12 PolarHBondContact O-N 3.26Å; N9-Y13 WeakPolarHBondContact O-CB 3.24Å; N9-Y13 PolarHBondContact O-N 2.99Å; N9-F28 HydrophobicContact CB-CE1 4.18Å; N9-F28 HydrophobicContact CB-CZ 4.29Å; N9-F28 WeakPolarHBondContact O-CE1 3.45Å; N9-I34 HydrophobicContact CB-CD1 3.73Å
10	F	93.2	Very high	87.4	Confident	15 Å²	15	70.1 Å²	70.1	7%	0.066	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-42	178.3	-169.8	-88.4	0	0	0	112.6	D6 E7 V8 Y13 R14 I34 I39 V44	D6-F10 VanDerWaalsContact O-CB 3.27Å; D6-F10 WeakPolarHBondContact O-CB 3.34Å; D6-F10 PolarHBondContact O-N 3.4Å; E7-F10 PolarHBondContact O-N 3.1Å; V8-F10 VanDerWaalsContact C-N 3.28Å; V8-F10 PolarHBondContact O-N 3.1Å; F10-Y13 PolarHBondContact O-N 3Å; F10-R14 HydrophobicContact CD1-CG 3.91Å; F10-R14 HydrophobicContact CE1-CG 3.4Å; F10-R14 HydrophobicContact CZ-CG 3.83Å; F10-R14 WeakPolarHBondContact O-CB 3.42Å; F10-R14 WeakPolarHBondContact O-CG 3.48Å; F10-R14 PolarHBondContact O-N 3.5Å; F10-I34 HydrophobicContact CB-CD1 4.24Å; F10-I34 HydrophobicContact CD2-CG2 3.91Å; F10-I34 HydrophobicContact CE2-CG2 4.18Å; F10-I39 HydrophobicContact CB-CD1 3.64Å; F10-I39 HydrophobicContact CB-CG2 4.44Å; F10-I39 HydrophobicContact CD1-CG2 3.66Å; F10-I39 HydrophobicContact CD2-CB 4.04Å; F10-I39 HydrophobicContact CD2-CG2 3.95Å; F10-I39 HydrophobicContact CE1-CG2 3.87Å; F10-I39 HydrophobicContact CE2-CB 4.43Å; F10-I39 HydrophobicContact CE2-CG2 4.16Å; F10-I39 HydrophobicContact CG-CB 4.14Å; F10-I39 HydrophobicContact CG-CD1 4.07Å; F10-I39 HydrophobicContact CG-CG2 3.72Å; F10-I39 HydrophobicContact CZ-CG2 4.14Å; F10-V44 HydrophobicContact CD1-CG2 4.11Å; F10-V44 HydrophobicContact CE1-CB 4.1Å; F10-V44 HydrophobicContact CE1-CG1 4.4Å; F10-V44 HydrophobicContact CE1-CG2 3.67Å
11	L	93.9	Very high	87.5	Confident	31 Å²	31	71.7 Å²	71.7	16%	0.162	38%	0.383	C	S	.	.	H	α-helix	trans	-66	-37.9	176.9	-71.8	173.5	0	0	0	112.5	E7 V8 N9 Y15 V44 A48 L49 I52	E7-L11 WeakPolarHBondContact O-CG 3.48Å; E7-L11 PolarHBondContact O-N 3.3Å; E7-L11 VanDerWaalsContact O-N 3.08Å; V8-L11 PolarHBondContact O-N 3.26Å; N9-L11 PolarHBondContact O-N 2.88Å; L11-Y15 WeakPolarHBondContact O-CB 3.44Å; L11-Y15 PolarHBondContact O-N 2.88Å; L11-V44 HydrophobicContact CD2-CG1 3.94Å; L11-A48 HydrophobicContact CD2-CB 3.72Å; L11-L49 HydrophobicContact CB-CB 4.19Å; L11-L49 HydrophobicContact CB-CD1 4.09Å; L11-I52 HydrophobicContact CD1-CD1 3.71Å
12	V	94.9	Very high	88.7	Confident	41 Å²	41	64 Å²	64	25%	0.248	35%	0.353	C	S	.	.	H	α-helix	trans	-67	-45.7	174.5	173.6	0	0	0	0	111	V8 N9 R14 Y15 L16 F28 L49	V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.42Å; V8-V12 PolarHBondContact O-N 2.78Å; N9-V12 PolarHBondContact O-N 3.26Å; V12-R14 PolarHBondContact O-N 3.48Å; V12-Y15 PolarHBondContact O-N 2.93Å; V12-L16 HydrophobicContact CG1-CD1 4.17Å; V12-L16 WeakPolarHBondContact O-CG 3.28Å; V12-L16 PolarHBondContact O-N 3.1Å; V12-F28 HydrophobicContact CB-CE1 3.83Å; V12-F28 HydrophobicContact CB-CZ 3.83Å; V12-F28 HydrophobicContact CG1-CD1 4.18Å; V12-F28 HydrophobicContact CG1-CD2 4.4Å; V12-F28 HydrophobicContact CG1-CE1 3.72Å; V12-F28 HydrophobicContact CG1-CE2 3.93Å; V12-F28 HydrophobicContact CG1-CZ 3.57Å; V12-L49 HydrophobicContact CG2-CD2 4.27Å
13	Y	93.7	Very high	88.6	Confident	44 Å²	44	63.2 Å²	63.2	17%	0.173	34%	0.336	C	S	.	.	H	α-helix	trans	-55.5	-49.2	174.4	170.2	-99	0	0	0	111.7	N9 F10 Y15 L16 Q17 A25 I34	N9-Y13 WeakPolarHBondContact O-CB 3.24Å; N9-Y13 PolarHBondContact O-N 2.99Å; F10-Y13 PolarHBondContact O-N 3Å; Y13-Y15 PolarHBondContact O-N 3.3Å; Y13-L16 PolarHBondContact O-N 3.03Å; Y13-Q17 HydrophobicContact CE1-CG 4.1Å; Y13-Q17 VanDerWaalsContact CE1-OE1 3.28Å; Y13-Q17 HydrophobicContact CE2-CG 4.33Å; Y13-Q17 VanDerWaalsContact CZ-CD 3.47Å; Y13-Q17 WeakPolarHBondContact O-CG 3.49Å; Y13-Q17 PolarHBondContact O-N 2.87Å; Y13-Q17 PolarHBondContact OH-NE2 3.09Å; Y13-A25 HydrophobicContact CD2-CB 4.41Å; Y13-A25 WeakPolarHBondContact CD2-O 3.34Å; Y13-A25 HydrophobicContact CE2-CB 4.39Å; Y13-A25 VanDerWaalsContact CE2-O 3.23Å; Y13-A25 WeakPolarHBondContact CE2-O 3.23Å; Y13-I34 HydrophobicContact CD1-CG2 3.99Å; Y13-I34 HydrophobicContact CD2-CG1 4.31Å; Y13-I34 HydrophobicContact CE1-CG2 4.22Å; Y13-I34 HydrophobicContact CG-CG1 4.08Å; Y13-I34 HydrophobicContact CG-CG2 4.18Å
14	R	91.4	Very high	88.9	Confident	50 Å²	50	59.5 Å²	59.5	19%	0.189	32%	0.322	C	S	.	.	H	α-helix	trans	-63.1	-41.6	177.6	-74.4	-65.7	-70.6	175.2	-10.5	112.4	F10 V12 L16 Q17 E18	F10-R14 HydrophobicContact CD1-CG 3.91Å; F10-R14 HydrophobicContact CE1-CG 3.4Å; F10-R14 HydrophobicContact CZ-CG 3.83Å; F10-R14 WeakPolarHBondContact O-CB 3.42Å; F10-R14 WeakPolarHBondContact O-CG 3.48Å; F10-R14 PolarHBondContact O-N 3.5Å; V12-R14 PolarHBondContact O-N 3.48Å; R14-L16 VanDerWaalsContact C-N 3.33Å; R14-L16 PolarHBondContact O-N 3.31Å; R14-Q17 PolarHBondContact O-N 2.9Å; R14-E18 IonicContact NE-OE1 3.79Å; R14-E18 IonicContact NH2-OE1 3.85Å; R14-E18 WeakPolarHBondContact O-CB 3.38Å; R14-E18 VanDerWaalsContact O-CG 3.24Å; R14-E18 WeakPolarHBondContact O-CG 3.34Å; R14-E18 PolarHBondContact O-N 3.06Å
15	Y	95	Very high	88.8	Confident	88 Å²	88	57.3 Å²	57.3	35%	0.345	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-42.6	175	170.1	-102.8	0	0	0	112.3	L11 V12 Y13 E18 S19 L49 I50	L11-Y15 WeakPolarHBondContact O-CB 3.44Å; L11-Y15 PolarHBondContact O-N 2.88Å; V12-Y15 PolarHBondContact O-N 2.93Å; Y13-Y15 PolarHBondContact O-N 3.3Å; Y15-E18 PolarHBondContact O-N 3.22Å; Y15-S19 VanDerWaalsContact CE2-OG 3.23Å; Y15-S19 WeakPolarHBondContact CE2-OG 3.48Å; Y15-S19 WeakPolarHBondContact O-CB 3.09Å; Y15-S19 PolarHBondContact O-N 2.96Å; Y15-S19 PolarHBondContact O-OG 3.02Å; Y15-L49 HydrophobicContact CD1-CD2 4.34Å; Y15-L49 HydrophobicContact CG-CD2 3.91Å; Y15-I50 HydrophobicContact CD2-CD1 4.17Å; Y15-I50 HydrophobicContact CD2-CG1 4.07Å; Y15-I50 HydrophobicContact CE2-CD1 3.99Å; Y15-I50 HydrophobicContact CE2-CG1 4.11Å
16	L	93.8	Very high	88.3	Confident	27 Å²	27	56 Å²	56	14%	0.141	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-41.5	176.9	-68.1	170	0	0	0	111.5	V12 Y13 R14 G20 F21 A25 F28	V12-L16 HydrophobicContact CG1-CD1 4.17Å; V12-L16 WeakPolarHBondContact O-CG 3.28Å; V12-L16 PolarHBondContact O-N 3.1Å; Y13-L16 PolarHBondContact O-N 3.03Å; R14-L16 VanDerWaalsContact C-N 3.33Å; R14-L16 PolarHBondContact O-N 3.31Å; L16-G20 PolarHBondContact O-N 2.91Å; L16-F21 HydrophobicContact CB-CB 4.33Å; L16-F21 HydrophobicContact CD2-CB 4.09Å; L16-F21 HydrophobicContact CD2-CD2 4.05Å; L16-F21 HydrophobicContact CD2-CG 4.35Å; L16-F21 WeakPolarHBondContact O-CA 3.41Å; L16-F21 WeakPolarHBondContact O-CB 3.43Å; L16-F21 PolarHBondContact O-N 2.96Å; L16-A25 HydrophobicContact CB-CB 3.53Å; L16-F28 HydrophobicContact CD1-CB 3.85Å; L16-F28 HydrophobicContact CD1-CD1 4.33Å; L16-F28 HydrophobicContact CD1-CG 4.02Å
17	Q	88.9	Confident	88.3	Confident	62 Å²	62	54.1 Å²	54.1	29%	0.29	28%	0.283	S	S	.	.	H	α-helix	trans	-62	-50.8	173.7	-70.6	-168.1	-50.5	0	0	111.9	Y13 R14 S19 G20 A25	Y13-Q17 HydrophobicContact CE1-CG 4.1Å; Y13-Q17 VanDerWaalsContact CE1-OE1 3.28Å; Y13-Q17 HydrophobicContact CE2-CG 4.33Å; Y13-Q17 VanDerWaalsContact CZ-CD 3.47Å; Y13-Q17 WeakPolarHBondContact O-CG 3.49Å; Y13-Q17 PolarHBondContact O-N 2.87Å; Y13-Q17 PolarHBondContact OH-NE2 3.09Å; R14-Q17 PolarHBondContact O-N 2.9Å; Q17-S19 PolarHBondContact O-N 2.89Å; Q17-G20 PolarHBondContact O-N 3.04Å; Q17-G20 VanDerWaalsContact O-N 3.08Å; Q17-A25 HydrophobicContact CB-CB 4.48Å; Q17-A25 HydrophobicContact CG-CB 3.71Å
18	E	89.1	Confident	88.4	Confident	66 Å²	66	52.1 Å²	52.1	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-29.2	-177.5	-71.9	170.8	-171.6	0	0	112.5	R14 Y15 G20 P46 A47	R14-E18 IonicContact NE-OE1 3.79Å; R14-E18 IonicContact NH2-OE1 3.85Å; R14-E18 WeakPolarHBondContact O-CB 3.38Å; R14-E18 VanDerWaalsContact O-CG 3.24Å; R14-E18 WeakPolarHBondContact O-CG 3.34Å; R14-E18 PolarHBondContact O-N 3.06Å; Y15-E18 PolarHBondContact O-N 3.22Å; E18-G20 VanDerWaalsContact C-N 3.28Å; E18-P46 WeakPolarHBondContact OE1-CA 3.47Å; E18-A47 WeakPolarHBondContact OE2-CA 3.4Å; E18-A47 PolarHBondContact OE2-N 3.16Å
19	S	87.1	Confident	88.3	Confident	49 Å²	49	49.3 Å²	49.3	34%	0.343	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	4.5	177.3	-53.8	0	0	0	0	113.2	Y15 Q17 F21	Y15-S19 VanDerWaalsContact CE2-OG 3.23Å; Y15-S19 WeakPolarHBondContact CE2-OG 3.48Å; Y15-S19 WeakPolarHBondContact O-CB 3.09Å; Y15-S19 PolarHBondContact O-N 2.96Å; Y15-S19 PolarHBondContact O-OG 3.02Å; Q17-S19 PolarHBondContact O-N 2.89Å; S19-F21 VanDerWaalsContact C-N 3.29Å; S19-F21 PolarHBondContact O-N 2.87Å
20	G	81.3	Confident	88	Confident	19 Å²	19	52.2 Å²	52.2	20%	0.196	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	7.7	177.4	0	0	0	0	0	114.9	L16 Q17 E18 S22	L16-G20 PolarHBondContact O-N 2.91Å; Q17-G20 PolarHBondContact O-N 3.04Å; Q17-G20 VanDerWaalsContact O-N 3.08Å; E18-G20 VanDerWaalsContact C-N 3.28Å; G20-S22 PolarHBondContact O-N 3.49Å
21	F	88.2	Confident	87.9	Confident	105 Å²	105	58.3 Å²	58.3	46%	0.461	30%	0.301	S	S	.	.			trans	-80.3	56.4	172.8	-60.7	-69.3	0	0	0	110.7	L16 S19 H23 S24 A25	L16-F21 HydrophobicContact CB-CB 4.33Å; L16-F21 HydrophobicContact CD2-CB 4.09Å; L16-F21 HydrophobicContact CD2-CD2 4.05Å; L16-F21 HydrophobicContact CD2-CG 4.35Å; L16-F21 WeakPolarHBondContact O-CA 3.41Å; L16-F21 WeakPolarHBondContact O-CB 3.43Å; L16-F21 PolarHBondContact O-N 2.96Å; S19-F21 VanDerWaalsContact C-N 3.29Å; S19-F21 PolarHBondContact O-N 2.87Å; F21-H23 PolarHBondContact O-N 3.08Å; F21-H23 VanDerWaalsContact O-N 3.12Å; F21-S24 PolarHBondContact O-N 2.81Å; F21-S24 VanDerWaalsContact O-N 3.12Å; F21-A25 VanDerWaalsContact O-CB 3.27Å; F21-A25 WeakPolarHBondContact O-CB 3.38Å; F21-A25 PolarHBondContact O-N 3.14Å
22	S	79.8	Confident	87.7	Confident	83 Å²	83	57.8 Å²	57.8	58%	0.58	30%	0.3	S	S	*	.	H	α-helix	trans	-54.1	-37.1	-172.6	-57.7	0	0	0	0	112.9	G20 F26	G20-S22 PolarHBondContact O-N 3.49Å; S22-F26 VanDerWaalsContact O-CB 3.25Å; S22-F26 WeakPolarHBondContact O-CB 3.17Å; S22-F26 PolarHBondContact O-N 3.27Å
23	H	67.8	Low	87.4	Confident	99 Å²	99	61.1 Å²	61.1	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-76.5	-42.8	177.9	-167.3	70.4	0	0	0	113.3	F21 A25 F26 T27	F21-H23 PolarHBondContact O-N 3.08Å; F21-H23 VanDerWaalsContact O-N 3.12Å; H23-A25 VanDerWaalsContact C-N 3.31Å; H23-A25 PolarHBondContact O-N 2.97Å; H23-F26 WeakPolarHBondContact O-CB 3.33Å; H23-F26 PolarHBondContact O-N 2.82Å; H23-F26 VanDerWaalsContact O-N 3.17Å; H23-T27 PolarHBondContact O-N 2.79Å; H23-T27 PolarHBondContact O-OG1 3.2Å
24	S	88.6	Confident	87.1	Confident	59 Å²	59	59.9 Å²	59.9	41%	0.413	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-39.3	174.3	-52.2	0	0	0	0	111	F21 F26 F28	F21-S24 PolarHBondContact O-N 2.81Å; F21-S24 VanDerWaalsContact O-N 3.12Å; S24-F26 VanDerWaalsContact C-N 3.3Å; S24-F26 PolarHBondContact O-N 2.83Å; S24-F28 WeakPolarHBondContact O-CB 3.32Å; S24-F28 PolarHBondContact O-N 3.23Å
25	A	88.2	Confident	86.3	Confident	2 Å²	2	61.8 Å²	61.8	2%	0.017	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-44	172	0	0	0	0	0	110.6	Y13 L16 Q17 F21 H23 G29	Y13-A25 HydrophobicContact CD2-CB 4.41Å; Y13-A25 WeakPolarHBondContact CD2-O 3.34Å; Y13-A25 HydrophobicContact CE2-CB 4.39Å; Y13-A25 VanDerWaalsContact CE2-O 3.23Å; Y13-A25 WeakPolarHBondContact CE2-O 3.23Å; L16-A25 HydrophobicContact CB-CB 3.53Å; Q17-A25 HydrophobicContact CB-CB 4.48Å; Q17-A25 HydrophobicContact CG-CB 3.71Å; F21-A25 VanDerWaalsContact O-CB 3.27Å; F21-A25 WeakPolarHBondContact O-CB 3.38Å; F21-A25 PolarHBondContact O-N 3.14Å; H23-A25 VanDerWaalsContact C-N 3.31Å; H23-A25 PolarHBondContact O-N 2.97Å; A25-G29 WeakPolarHBondContact O-CA 3.46Å; A25-G29 PolarHBondContact O-N 3.21Å
26	F	75.3	Confident	85.6	Confident	51 Å²	51	64.5 Å²	64.5	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-61.4	-56.5	176.7	174.1	-92	0	0	0	112.3	S22 H23 S24 F28 G29 I30 Y246 V287	S22-F26 VanDerWaalsContact O-CB 3.25Å; S22-F26 WeakPolarHBondContact O-CB 3.17Å; S22-F26 PolarHBondContact O-N 3.27Å; H23-F26 WeakPolarHBondContact O-CB 3.33Å; H23-F26 PolarHBondContact O-N 2.82Å; H23-F26 VanDerWaalsContact O-N 3.17Å; S24-F26 VanDerWaalsContact C-N 3.3Å; S24-F26 PolarHBondContact O-N 2.83Å; F26-F28 VanDerWaalsContact C-N 3.34Å; F26-F28 PolarHBondContact O-N 3.01Å; F26-G29 PolarHBondContact O-N 3.27Å; F26-G29 VanDerWaalsContact O-N 3.15Å; F26-I30 HydrophobicContact CE1-CG1 4.38Å; F26-I30 HydrophobicContact CZ-CG1 4.26Å; F26-I30 WeakPolarHBondContact O-CG1 3.38Å; F26-I30 PolarHBondContact O-N 3.04Å; F26-Y246 WeakPolarHBondContact CD2-OH 3.43Å; F26-Y246 WeakPolarHBondContact CE2-OH 3.47Å; F26-V287 HydrophobicContact CZ-CG2 4.22Å
27	T	88.3	Confident	85	Confident	51 Å²	51	64.4 Å²	64.4	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-46.8	-179.2	-63	0	0	0	0	110.7	H23 G29 I30 E31	H23-T27 PolarHBondContact O-N 2.79Å; H23-T27 PolarHBondContact O-OG1 3.2Å; T27-G29 VanDerWaalsContact C-N 3.35Å; T27-G29 PolarHBondContact O-N 3.08Å; T27-I30 PolarHBondContact O-N 3.27Å; T27-E31 WeakPolarHBondContact O-CG 3.37Å; T27-E31 PolarHBondContact O-N 2.81Å
28	F	93.5	Very high	84.7	Confident	53 Å²	53	69.6 Å²	69.6	23%	0.232	38%	0.377	C	S	.	.	H	α-helix	trans	-60.8	-43.5	175.6	-175.5	-91.4	0	0	0	111.7	N9 V12 L16 S24 F26 I30 E31 S32	N9-F28 HydrophobicContact CB-CE1 4.18Å; N9-F28 HydrophobicContact CB-CZ 4.29Å; N9-F28 WeakPolarHBondContact O-CE1 3.45Å; V12-F28 HydrophobicContact CB-CE1 3.83Å; V12-F28 HydrophobicContact CB-CZ 3.83Å; V12-F28 HydrophobicContact CG1-CD1 4.18Å; V12-F28 HydrophobicContact CG1-CD2 4.4Å; V12-F28 HydrophobicContact CG1-CE1 3.72Å; V12-F28 HydrophobicContact CG1-CE2 3.93Å; V12-F28 HydrophobicContact CG1-CZ 3.57Å; L16-F28 HydrophobicContact CD1-CB 3.85Å; L16-F28 HydrophobicContact CD1-CD1 4.33Å; L16-F28 HydrophobicContact CD1-CG 4.02Å; S24-F28 WeakPolarHBondContact O-CB 3.32Å; S24-F28 PolarHBondContact O-N 3.23Å; F26-F28 VanDerWaalsContact C-N 3.34Å; F26-F28 PolarHBondContact O-N 3.01Å; F28-I30 VanDerWaalsContact C-N 3.29Å; F28-I30 PolarHBondContact O-N 2.79Å; F28-E31 PolarHBondContact O-N 2.77Å; F28-S32 WeakPolarHBondContact CE1-OG 3.44Å; F28-S32 VanDerWaalsContact O-CB 3.28Å; F28-S32 WeakPolarHBondContact O-CB 3.23Å; F28-S32 PolarHBondContact O-N 3.02Å; F28-S32 PolarHBondContact O-OG 3.07Å
29	G	88.9	Confident	84.5	Confident	7 Å²	7	68.9 Å²	68.9	7%	0.072	38%	0.375	C	S	.	.	H	α-helix	trans	-62.1	-34.2	179.4	0	0	0	0	0	113.4	A25 F26 T27 H33 I34	A25-G29 WeakPolarHBondContact O-CA 3.46Å; A25-G29 PolarHBondContact O-N 3.21Å; F26-G29 PolarHBondContact O-N 3.27Å; F26-G29 VanDerWaalsContact O-N 3.15Å; T27-G29 VanDerWaalsContact C-N 3.35Å; T27-G29 PolarHBondContact O-N 3.08Å; G29-H33 PolarHBondContact O-N 3.48Å; G29-I34 PolarHBondContact O-N 2.9Å
30	I	88.1	Confident	84.3	Confident	94 Å²	94	71 Å²	71	48%	0.482	38%	0.382	S	S	.	.	H	α-helix	trans	-72.7	-51.5	173.9	-67	-64.8	0	0	0	111.1	F26 T27 F28 S32 H33	F26-I30 HydrophobicContact CE1-CG1 4.38Å; F26-I30 HydrophobicContact CZ-CG1 4.26Å; F26-I30 WeakPolarHBondContact O-CG1 3.38Å; F26-I30 PolarHBondContact O-N 3.04Å; T27-I30 PolarHBondContact O-N 3.27Å; F28-I30 VanDerWaalsContact C-N 3.29Å; F28-I30 PolarHBondContact O-N 2.79Å; I30-S32 VanDerWaalsContact C-N 3.3Å; I30-S32 PolarHBondContact O-N 2.92Å; I30-H33 PolarHBondContact O-N 3.38Å; I30-H33 VanDerWaalsContact O-N 3.13Å; I30-H33 PolarHBondContact O-ND1 2.91Å
31	E	91.1	Very high	84.2	Confident	144 Å²	144	71.1 Å²	71.1	67%	0.673	38%	0.383	S	S	*	.	H	α-helix	trans	-63.3	-36.6	-177.7	-72.7	-178.3	176.2	0	0	112.4	T27 F28 H33	T27-E31 WeakPolarHBondContact O-CG 3.37Å; T27-E31 PolarHBondContact O-N 2.81Å; F28-E31 PolarHBondContact O-N 2.77Å; E31-H33 VanDerWaalsContact C-N 3.32Å
32	S	89.3	Confident	83.7	Confident	20 Å²	20	70.5 Å²	70.5	14%	0.14	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.6	178.1	63.8	0	0	0	0	113.8	F28 I30 I34	F28-S32 WeakPolarHBondContact CE1-OG 3.44Å; F28-S32 VanDerWaalsContact O-CB 3.28Å; F28-S32 WeakPolarHBondContact O-CB 3.23Å; F28-S32 PolarHBondContact O-N 3.02Å; F28-S32 PolarHBondContact O-OG 3.07Å; I30-S32 VanDerWaalsContact C-N 3.3Å; I30-S32 PolarHBondContact O-N 2.92Å; S32-I34 PolarHBondContact O-N 3.14Å; S32-I34 VanDerWaalsContact OG-CG1 3.29Å; S32-I34 WeakPolarHBondContact OG-CG1 3.32Å
33	H	89.1	Confident	83.7	Confident	110 Å²	110	73.2 Å²	73.2	51%	0.509	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	37.4	178.2	-60.3	-52.5	0	0	0	114.3	G29 I30 E31 S35 Q36	G29-H33 PolarHBondContact O-N 3.48Å; I30-H33 PolarHBondContact O-N 3.38Å; I30-H33 VanDerWaalsContact O-N 3.13Å; I30-H33 PolarHBondContact O-ND1 2.91Å; E31-H33 VanDerWaalsContact C-N 3.32Å; H33-S35 PolarHBondContact O-N 2.86Å; H33-S35 VanDerWaalsContact O-N 3.12Å; H33-Q36 HydrophobicContact CB-CB 4.47Å; H33-Q36 HydrophobicContact CB-CG 4.49Å; H33-Q36 WeakPolarHBondContact O-CB 3.27Å; H33-Q36 PolarHBondContact O-N 2.92Å
34	I	86.8	Confident	84.5	Confident	18 Å²	18	69.8 Å²	69.8	9%	0.092	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-54.9	-35.8	179.7	-67	-57	0	0	0	112.1	N9 F10 Y13 G29 S32 Q36 S37	N9-I34 HydrophobicContact CB-CD1 3.73Å; F10-I34 HydrophobicContact CB-CD1 4.24Å; F10-I34 HydrophobicContact CD2-CG2 3.91Å; F10-I34 HydrophobicContact CE2-CG2 4.18Å; Y13-I34 HydrophobicContact CD1-CG2 3.99Å; Y13-I34 HydrophobicContact CD2-CG1 4.31Å; Y13-I34 HydrophobicContact CE1-CG2 4.22Å; Y13-I34 HydrophobicContact CG-CG1 4.08Å; Y13-I34 HydrophobicContact CG-CG2 4.18Å; G29-I34 PolarHBondContact O-N 2.9Å; S32-I34 PolarHBondContact O-N 3.14Å; S32-I34 VanDerWaalsContact OG-CG1 3.29Å; S32-I34 WeakPolarHBondContact OG-CG1 3.32Å; I34-Q36 PolarHBondContact O-N 3.45Å; I34-Q36 VanDerWaalsContact O-N 3.12Å; I34-S37 WeakPolarHBondContact O-CB 3.27Å; I34-S37 PolarHBondContact O-N 3.01Å
35	S	74.4	Confident	84.2	Confident	91 Å²	91	71 Å²	71	64%	0.636	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-64	-15.4	178	60.5	0	0	0	0	114.5	H33	H33-S35 PolarHBondContact O-N 2.86Å; H33-S35 VanDerWaalsContact O-N 3.12Å
36	Q	79.9	Confident	84	Confident	144 Å²	144	76 Å²	76	67%	0.673	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-99.5	-3.9	175.7	-59.5	179.3	4.5	0	0	112.3	H33 I34	H33-Q36 HydrophobicContact CB-CB 4.47Å; H33-Q36 HydrophobicContact CB-CG 4.49Å; H33-Q36 WeakPolarHBondContact O-CB 3.27Å; H33-Q36 PolarHBondContact O-N 2.92Å; I34-Q36 PolarHBondContact O-N 3.45Å; I34-Q36 VanDerWaalsContact O-N 3.12Å
37	S	81.7	Confident	84.7	Confident	26 Å²	26	75.4 Å²	75.4	18%	0.182	43%	0.434	C	S	.	.			trans	-71.9	143.5	177.9	-179	0	0	0	0	111.3	I34 I39	I34-S37 WeakPolarHBondContact O-CB 3.27Å; I34-S37 PolarHBondContact O-N 3.01Å; S37-I39 PolarHBondContact O-N 3.46Å; S37-I39 WeakPolarHBondContact OG-CB 3.42Å; S37-I39 WeakPolarHBondContact OG-CD1 3.47Å; S37-I39 VanDerWaalsContact OG-CG1 3.27Å; S37-I39 WeakPolarHBondContact OG-CG1 3.42Å; S37-I39 PolarHBondContact OG-N 3.08Å
38	N	83	Confident	84.7	Confident	170 Å²	170	73.7 Å²	73.7	91%	0.909	43%	0.425	S	S	*	.			trans	-83.4	7.4	174	-69	-41.4	0	0	0	113.1	N40	N38-N40 PolarHBondContact O-N 2.85Å
39	I	84.6	Confident	84.7	Confident	52 Å²	52	72.7 Å²	72.7	27%	0.267	42%	0.422	S	S	.	.			trans	-77.3	122	-177	-64	167.9	0	0	0	109.9	D6 E7 F10 S37 G41 V44	D6-I39 HydrophobicContact CB-CD1 4.42Å; D6-I39 WeakPolarHBondContact O-CD1 3.47Å; E7-I39 HydrophobicContact CB-CD1 4.43Å; E7-I39 HydrophobicContact CG-CD1 4.07Å; F10-I39 HydrophobicContact CB-CD1 3.64Å; F10-I39 HydrophobicContact CB-CG2 4.44Å; F10-I39 HydrophobicContact CD1-CG2 3.66Å; F10-I39 HydrophobicContact CD2-CB 4.04Å; F10-I39 HydrophobicContact CD2-CG2 3.95Å; F10-I39 HydrophobicContact CE1-CG2 3.87Å; F10-I39 HydrophobicContact CE2-CB 4.43Å; F10-I39 HydrophobicContact CE2-CG2 4.16Å; F10-I39 HydrophobicContact CG-CB 4.14Å; F10-I39 HydrophobicContact CG-CD1 4.07Å; F10-I39 HydrophobicContact CG-CG2 3.72Å; F10-I39 HydrophobicContact CZ-CG2 4.14Å; S37-I39 PolarHBondContact O-N 3.46Å; S37-I39 WeakPolarHBondContact OG-CB 3.42Å; S37-I39 WeakPolarHBondContact OG-CD1 3.47Å; S37-I39 VanDerWaalsContact OG-CG1 3.27Å; S37-I39 WeakPolarHBondContact OG-CG1 3.42Å; S37-I39 PolarHBondContact OG-N 3.08Å; I39-G41 PolarHBondContact O-N 2.78Å; I39-V44 HydrophobicContact CG2-CG2 4.23Å
40	N	81.9	Confident	84.7	Confident	94 Å²	94	75.7 Å²	75.7	50%	0.503	44%	0.436	S	S	.	.			trans	-80.2	103.2	173.6	-176.3	-8.7	0	0	0	110.3	N38 A42 L43	N38-N40 PolarHBondContact O-N 2.85Å; N40-A42 PolarHBondContact O-N 3.08Å; N40-A42 WeakPolarHBondContact OD1-CB 3.43Å; N40-A42 PolarHBondContact OD1-N 2.79Å; N40-A42 VanDerWaalsContact OD1-N 3.13Å; N40-L43 HydrophobicContact CB-CD1 4.15Å; N40-L43 HydrophobicContact CB-CG 4.34Å; N40-L43 PolarHBondContact O-N 2.79Å; N40-L43 VanDerWaalsContact O-N 3.11Å
41	G	79.3	Confident	84.7	Confident	21 Å²	21	73.5 Å²	73.5	22%	0.216	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-59.5	-26	-178.4	0	0	0	0	0	115.6	I39 L43 V44	I39-G41 PolarHBondContact O-N 2.78Å; G41-L43 PolarHBondContact O-N 2.92Å; G41-V44 PolarHBondContact O-N 3.32Å; G41-V44 VanDerWaalsContact O-N 3.17Å
42	A	78.2	Confident	84.6	Confident	92 Å²	92	71.2 Å²	71.2	76%	0.76	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-69.3	-20.7	178.2	0	0	0	0	0	113.1	N40	N40-A42 PolarHBondContact O-N 3.08Å; N40-A42 WeakPolarHBondContact OD1-CB 3.43Å; N40-A42 PolarHBondContact OD1-N 2.79Å; N40-A42 VanDerWaalsContact OD1-N 3.13Å
43	L	80.9	Confident	84.6	Confident	140 Å²	140	73.3 Å²	73.3	73%	0.733	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-87.7	-9.1	176.3	-62.7	177.7	0	0	0	112.7	N40 G41 P45	N40-L43 HydrophobicContact CB-CD1 4.15Å; N40-L43 HydrophobicContact CB-CG 4.34Å; N40-L43 PolarHBondContact O-N 2.79Å; N40-L43 VanDerWaalsContact O-N 3.11Å; G41-L43 PolarHBondContact O-N 2.92Å; L43-P45 WeakPolarHBondContact O-CD 3.36Å
44	V	84.1	Confident	84.3	Confident	27 Å²	27	73.1 Å²	73.1	16%	0.164	43%	0.429	C	S	.	.	S	Bend	trans	-90.9	111.7	179.7	-177.1	0	0	0	0	108.2	F10 L11 I39 G41 A48	F10-V44 HydrophobicContact CD1-CG2 4.11Å; F10-V44 HydrophobicContact CE1-CB 4.1Å; F10-V44 HydrophobicContact CE1-CG1 4.4Å; F10-V44 HydrophobicContact CE1-CG2 3.67Å; L11-V44 HydrophobicContact CD2-CG1 3.94Å; I39-V44 HydrophobicContact CG2-CG2 4.23Å; G41-V44 PolarHBondContact O-N 3.32Å; G41-V44 VanDerWaalsContact O-N 3.17Å; V44-A48 HydrophobicContact CG1-CB 3.72Å
45	P	82.3	Confident	84.2	Confident	83 Å²	83	78.9 Å²	78.9	54%	0.539	45%	0.453	S	S	.	.			trans	-65.2	152.2	-178.2	26.2	-32.9	0	0	0	110.9	L43 A48	L43-P45 WeakPolarHBondContact O-CD 3.36Å; P45-A48 HydrophobicContact CG-CB 4.27Å; P45-A48 VanDerWaalsContact O-CB 3.25Å; P45-A48 WeakPolarHBondContact O-CB 3.41Å; P45-A48 PolarHBondContact O-N 3.01Å
46	P	84.6	Confident	84.7	Confident	107 Å²	107	76.2 Å²	76.2	70%	0.695	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	146.9	173.9	-24.2	33.6	0	0	0	111.8	E18 A48	E18-P46 WeakPolarHBondContact OE1-CA 3.47Å; P46-A48 PolarHBondContact O-N 2.93Å
47	A	87.9	Confident	84.7	Confident	40 Å²	40	71 Å²	71	33%	0.331	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	22.7	-178.7	0	0	0	0	0	114.3	E18 L49 I50 S51	E18-A47 WeakPolarHBondContact OE2-CA 3.4Å; E18-A47 PolarHBondContact OE2-N 3.16Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 2.82Å; A47-I50 HydrophobicContact CB-CB 4.31Å; A47-I50 HydrophobicContact CB-CD1 4.26Å; A47-I50 PolarHBondContact O-N 2.83Å; A47-I50 VanDerWaalsContact O-N 3.11Å; A47-S51 PolarHBondContact O-N 2.78Å
48	A	89.3	Confident	84.6	Confident	14 Å²	14	75.5 Å²	75.5	12%	0.116	43%	0.434	C	S	.	.	H	α-helix	trans	-54.8	-43.3	179.8	0	0	0	0	0	112.8	L11 V44 P45 P46 S51 I52	L11-A48 HydrophobicContact CD2-CB 3.72Å; V44-A48 HydrophobicContact CG1-CB 3.72Å; P45-A48 HydrophobicContact CG-CB 4.27Å; P45-A48 VanDerWaalsContact O-CB 3.25Å; P45-A48 WeakPolarHBondContact O-CB 3.41Å; P45-A48 PolarHBondContact O-N 3.01Å; P46-A48 PolarHBondContact O-N 2.93Å; A48-S51 PolarHBondContact O-N 3.15Å; A48-I52 VanDerWaalsContact O-CG1 3.31Å; A48-I52 WeakPolarHBondContact O-CG1 3.31Å; A48-I52 PolarHBondContact O-N 3.46Å
49	L	92.5	Very high	84.4	Confident	33 Å²	33	74.3 Å²	74.3	17%	0.173	42%	0.418	C	S	.	.	H	α-helix	trans	-61	-46.9	177.1	-178	59.2	0	0	0	111.3	L11 V12 Y15 A47 S51 I52 I53	L11-L49 HydrophobicContact CB-CB 4.19Å; L11-L49 HydrophobicContact CB-CD1 4.09Å; V12-L49 HydrophobicContact CG2-CD2 4.27Å; Y15-L49 HydrophobicContact CD1-CD2 4.34Å; Y15-L49 HydrophobicContact CG-CD2 3.91Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 2.82Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 2.76Å; L49-I52 PolarHBondContact O-N 2.85Å; L49-I53 HydrophobicContact CD1-CD1 3.97Å; L49-I53 HydrophobicContact CD1-CG1 4.3Å; L49-I53 HydrophobicContact CG-CD1 3.83Å; L49-I53 WeakPolarHBondContact O-CB 3.49Å; L49-I53 VanDerWaalsContact O-CG1 3.27Å; L49-I53 WeakPolarHBondContact O-CG1 3.44Å; L49-I53 PolarHBondContact O-N 2.84Å
50	I	89.6	Confident	84	Confident	69 Å²	69	73.5 Å²	73.5	35%	0.354	42%	0.415	S	S	.	.	H	α-helix	trans	-61.1	-43.9	178.5	-60	176.1	0	0	0	110.2	Y15 A47 I52 I53 Q54	Y15-I50 HydrophobicContact CD2-CD1 4.17Å; Y15-I50 HydrophobicContact CD2-CG1 4.07Å; Y15-I50 HydrophobicContact CE2-CD1 3.99Å; Y15-I50 HydrophobicContact CE2-CG1 4.11Å; A47-I50 HydrophobicContact CB-CB 4.31Å; A47-I50 HydrophobicContact CB-CD1 4.26Å; A47-I50 PolarHBondContact O-N 2.83Å; A47-I50 VanDerWaalsContact O-N 3.11Å; I50-I52 PolarHBondContact O-N 2.93Å; I50-I53 PolarHBondContact O-N 3.4Å; I50-Q54 HydrophobicContact CG2-CG 4.34Å; I50-Q54 WeakPolarHBondContact O-CB 3.36Å; I50-Q54 VanDerWaalsContact O-CG 3.27Å; I50-Q54 WeakPolarHBondContact O-CG 3.27Å; I50-Q54 PolarHBondContact O-N 3.07Å
51	S	87.6	Confident	83.7	Confident	49 Å²	49	70.8 Å²	70.8	34%	0.343	40%	0.4	S	S	.	.	H	α-helix	trans	-63	-41.8	178.6	-172.9	0	0	0	0	112.6	A47 A48 L49 Q54 K55	A47-S51 PolarHBondContact O-N 2.78Å; A48-S51 PolarHBondContact O-N 3.15Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 2.76Å; S51-Q54 PolarHBondContact O-N 2.95Å; S51-K55 WeakPolarHBondContact O-CG 3.38Å; S51-K55 PolarHBondContact O-N 3.03Å
52	I	89.2	Confident	83.4	Confident	95 Å²	95	71.4 Å²	71.4	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-65	-44.5	176.4	-70	165.7	0	0	0	110.3	L11 A48 L49 I50 Q54 K55 G56	L11-I52 HydrophobicContact CD1-CD1 3.71Å; A48-I52 VanDerWaalsContact O-CG1 3.31Å; A48-I52 WeakPolarHBondContact O-CG1 3.31Å; A48-I52 PolarHBondContact O-N 3.46Å; L49-I52 PolarHBondContact O-N 2.85Å; I50-I52 PolarHBondContact O-N 2.93Å; I52-Q54 PolarHBondContact O-N 2.71Å; I52-K55 PolarHBondContact O-N 2.97Å; I52-G56 PolarHBondContact O-N 2.84Å
53	I	90.1	Very high	83.1	Confident	64 Å²	64	72 Å²	72	33%	0.328	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176.8	-70.7	170.3	0	0	0	111	L49 I50 K55 G56 L57 L83	L49-I53 HydrophobicContact CD1-CD1 3.97Å; L49-I53 HydrophobicContact CD1-CG1 4.3Å; L49-I53 HydrophobicContact CG-CD1 3.83Å; L49-I53 WeakPolarHBondContact O-CB 3.49Å; L49-I53 VanDerWaalsContact O-CG1 3.27Å; L49-I53 WeakPolarHBondContact O-CG1 3.44Å; L49-I53 PolarHBondContact O-N 2.84Å; I50-I53 PolarHBondContact O-N 3.4Å; I53-K55 PolarHBondContact O-N 2.77Å; I53-G56 PolarHBondContact O-N 3.49Å; I53-L57 WeakPolarHBondContact O-CB 3.36Å; I53-L57 PolarHBondContact O-N 2.85Å; I53-L83 HydrophobicContact CG2-CD1 3.31Å; I53-L83 HydrophobicContact CG2-CD2 3.87Å; I53-L83 HydrophobicContact CG2-CG 4.22Å
54	Q	83.3	Confident	82.5	Confident	107 Å²	107	66.4 Å²	66.4	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-43.2	176.6	-76.2	172.5	-15.9	0	0	112.2	I50 S51 I52 G56 L57 Q58	I50-Q54 HydrophobicContact CG2-CG 4.34Å; I50-Q54 WeakPolarHBondContact O-CB 3.36Å; I50-Q54 VanDerWaalsContact O-CG 3.27Å; I50-Q54 WeakPolarHBondContact O-CG 3.27Å; I50-Q54 PolarHBondContact O-N 3.07Å; S51-Q54 PolarHBondContact O-N 2.95Å; I52-Q54 PolarHBondContact O-N 2.71Å; Q54-G56 VanDerWaalsContact C-N 3.34Å; Q54-L57 PolarHBondContact O-N 3.04Å; Q54-Q58 WeakPolarHBondContact O-CG 3.18Å; Q54-Q58 PolarHBondContact O-N 2.94Å
55	K	84.1	Confident	81.7	Confident	139 Å²	139	66.4 Å²	66.4	60%	0.604	36%	0.363	S	S	*	.	H	α-helix	trans	-65.2	-38.4	174.5	-72.6	177.2	-176.6	178	0	112	S51 I52 I53 Q58 Y59	S51-K55 WeakPolarHBondContact O-CG 3.38Å; S51-K55 PolarHBondContact O-N 3.03Å; I52-K55 PolarHBondContact O-N 2.97Å; I53-K55 PolarHBondContact O-N 2.77Å; K55-Q58 PolarHBondContact O-N 3.17Å; K55-Y59 WeakPolarHBondContact O-CB 3.44Å; K55-Y59 PolarHBondContact O-N 3.05Å
56	G	84	Confident	80.9	Confident	34 Å²	34	66.2 Å²	66.2	35%	0.351	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-44.2	173.5	0	0	0	0	0	111.9	I52 I53 Q54 Y59 V60	I52-G56 PolarHBondContact O-N 2.84Å; I53-G56 PolarHBondContact O-N 3.49Å; Q54-G56 VanDerWaalsContact C-N 3.34Å; G56-Y59 WeakPolarHBondContact O-CB 3.3Å; G56-Y59 PolarHBondContact O-N 3.5Å; G56-Y59 VanDerWaalsContact O-N 3.15Å; G56-V60 WeakPolarHBondContact O-CG2 3.15Å; G56-V60 PolarHBondContact O-N 3.21Å
57	L	81.6	Confident	79.8	Confident	34 Å²	34	63.5 Å²	63.5	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-62.2	-44.9	176.1	-174.3	64.1	0	0	0	111.8	I53 Q54 Y59 V60 E61 L81 A86	I53-L57 WeakPolarHBondContact O-CB 3.36Å; I53-L57 PolarHBondContact O-N 2.85Å; Q54-L57 PolarHBondContact O-N 3.04Å; L57-Y59 VanDerWaalsContact C-N 3.27Å; L57-Y59 PolarHBondContact O-N 3.47Å; L57-V60 PolarHBondContact O-N 3.09Å; L57-E61 WeakPolarHBondContact O-CG 3.35Å; L57-E61 PolarHBondContact O-N 3.48Å; L57-L81 HydrophobicContact CD1-CB 3.81Å; L57-L81 WeakPolarHBondContact CD2-O 3.4Å; L57-A86 HydrophobicContact CD1-CB 3.41Å; L57-A86 VanDerWaalsContact CD1-CB 3.41Å
58	Q	78.2	Confident	78.4	Confident	121 Å²	121	71.8 Å²	71.8	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-61.3	-35.3	173.4	-72.6	171.9	2.8	0	0	112.4	Q54 K55 A62	Q54-Q58 WeakPolarHBondContact O-CG 3.18Å; Q54-Q58 PolarHBondContact O-N 2.94Å; K55-Q58 PolarHBondContact O-N 3.17Å; Q58-A62 VanDerWaalsContact O-CB 3.26Å; Q58-A62 WeakPolarHBondContact O-CB 3.36Å; Q58-A62 PolarHBondContact O-N 2.84Å
59	Y	79.8	Confident	76.7	Confident	146 Å²	146	76.8 Å²	76.8	57%	0.573	39%	0.392	S	S	*	.	H	α-helix	trans	-68	-43.8	174.5	-178.2	-97.8	0	0	0	111.8	K55 G56 L57 E61 A62 E63	K55-Y59 WeakPolarHBondContact O-CB 3.44Å; K55-Y59 PolarHBondContact O-N 3.05Å; G56-Y59 WeakPolarHBondContact O-CB 3.3Å; G56-Y59 PolarHBondContact O-N 3.5Å; G56-Y59 VanDerWaalsContact O-N 3.15Å; L57-Y59 VanDerWaalsContact C-N 3.27Å; L57-Y59 PolarHBondContact O-N 3.47Å; Y59-E61 VanDerWaalsContact C-N 3.35Å; Y59-A62 CarbonylContact O-C 3.48Å; Y59-A62 WeakPolarHBondContact O-CB 3.45Å; Y59-A62 PolarHBondContact O-N 2.83Å; Y59-A62 VanDerWaalsContact O-N 3.16Å; Y59-E63 HydrophobicContact CD1-CG 4.11Å; Y59-E63 HydrophobicContact CE1-CG 3.67Å; Y59-E63 VanDerWaalsContact CE1-OE1 3.22Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.4Å; Y59-E63 HydrophobicContact CE2-CG 4.5Å; Y59-E63 PolarHBondContact O-N 3.41Å; Y59-E63 PolarHBondContact OH-OE1 3.2Å
60	V	75.8	Confident	75	Confident	35 Å²	35	77.8 Å²	77.8	21%	0.212	41%	0.411	C	S	.	.	H	α-helix	trans	-62.5	-43	175.2	174.1	0	0	0	0	110.7	G56 L57 A62 E63 V64 L81	G56-V60 WeakPolarHBondContact O-CG2 3.15Å; G56-V60 PolarHBondContact O-N 3.21Å; L57-V60 PolarHBondContact O-N 3.09Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 3.37Å; V60-E63 PolarHBondContact O-N 3.5Å; V60-V64 VanDerWaalsContact O-CG2 3.24Å; V60-V64 WeakPolarHBondContact O-CG2 3.32Å; V60-V64 PolarHBondContact O-N 2.73Å; V60-L81 HydrophobicContact CG1-CD1 4.34Å
61	E	74.8	Confident	73.7	Confident	37 Å²	37	77.9 Å²	77.9	17%	0.173	42%	0.415	C	S	.	.	H	α-helix	trans	-59.5	-43.4	172.4	-75.3	176.5	170.4	0	0	111.7	L57 Y59 V64 S65 S80 L81	L57-E61 WeakPolarHBondContact O-CG 3.35Å; L57-E61 PolarHBondContact O-N 3.48Å; Y59-E61 VanDerWaalsContact C-N 3.35Å; E61-V64 PolarHBondContact O-N 2.8Å; E61-S65 WeakPolarHBondContact O-CB 3.49Å; E61-S65 PolarHBondContact O-N 3.31Å; E61-S65 VanDerWaalsContact O-N 3.15Å; E61-S65 PolarHBondContact O-OG 2.78Å; E61-S80 WeakPolarHBondContact OE1-CA 3.48Å; E61-L81 HydrophobicContact CG-CB 4.19Å; E61-L81 HydrophobicContact CG-CD1 3.84Å; E61-L81 HydrophobicContact CG-CG 4.39Å; E61-L81 PolarHBondContact OE1-N 3.22Å
62	A	72.6	Confident	72.2	Confident	33 Å²	33	81.8 Å²	81.8	27%	0.273	43%	0.431	S	S	.	.	H	α-helix	trans	-62.6	-47.3	176.1	0	0	0	0	0	111.5	Q58 Y59 V60 V64 S65 I66	Q58-A62 VanDerWaalsContact O-CB 3.26Å; Q58-A62 WeakPolarHBondContact O-CB 3.36Å; Q58-A62 PolarHBondContact O-N 2.84Å; Y59-A62 CarbonylContact O-C 3.48Å; Y59-A62 WeakPolarHBondContact O-CB 3.45Å; Y59-A62 PolarHBondContact O-N 2.83Å; Y59-A62 VanDerWaalsContact O-N 3.16Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 3.37Å; A62-V64 VanDerWaalsContact C-N 3.29Å; A62-V64 PolarHBondContact O-N 2.56Å; A62-S65 WeakPolarHBondContact CA-OG 3.38Å; A62-S65 CarbonylContact O-C 3.59Å; A62-S65 WeakPolarHBondContact O-CA 3.36Å; A62-S65 PolarHBondContact O-N 2.93Å; A62-S65 PolarHBondContact O-OG 2.75Å; A62-I66 HydrophobicContact CB-CD1 4.34Å; A62-I66 WeakPolarHBondContact O-CD1 3.47Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.78Å
63	E	73.1	Confident	70.8	Confident	104 Å²	104	82 Å²	82	49%	0.486	43%	0.428	S	S	.	.	H	α-helix	trans	-58.5	-38.9	175.9	-78.8	-167.7	143.7	0	0	112.5	Y59 V60 S65	Y59-E63 HydrophobicContact CD1-CG 4.11Å; Y59-E63 HydrophobicContact CE1-CG 3.67Å; Y59-E63 VanDerWaalsContact CE1-OE1 3.22Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.4Å; Y59-E63 HydrophobicContact CE2-CG 4.5Å; Y59-E63 PolarHBondContact O-N 3.41Å; Y59-E63 PolarHBondContact OH-OE1 3.2Å; V60-E63 PolarHBondContact O-N 3.5Å; E63-S65 PolarHBondContact O-N 3.25Å
64	V	68.9	Low	69	Low	23 Å²	23	85.9 Å²	85.9	14%	0.139	45%	0.45	C	S	.	.	H	α-helix	trans	-66.5	-24.4	175.1	172.8	0	0	0	0	111.9	V60 E61 A62 V92 Q96 Y99	V60-V64 VanDerWaalsContact O-CG2 3.24Å; V60-V64 WeakPolarHBondContact O-CG2 3.32Å; V60-V64 PolarHBondContact O-N 2.73Å; E61-V64 PolarHBondContact O-N 2.8Å; A62-V64 VanDerWaalsContact C-N 3.29Å; A62-V64 PolarHBondContact O-N 2.56Å; V64-V92 HydrophobicContact CG2-CG1 4.42Å; V64-Q96 HydrophobicContact CG1-CG 4.23Å; V64-Q96 HydrophobicContact CG2-CG 3.99Å; V64-Y99 HydrophobicContact CG1-CD2 3.61Å; V64-Y99 HydrophobicContact CG1-CE2 3.82Å; V64-Y99 HydrophobicContact CG1-CG 4.49Å
65	S	66.7	Low	67.5	Low	28 Å²	28	84.5 Å²	84.5	20%	0.196	47%	0.465	C	S	.	.	H	α-helix	trans	-102.4	-5.5	-174.3	74.4	0	0	0	0	115.7	E61 A62 E63	E61-S65 WeakPolarHBondContact O-CB 3.49Å; E61-S65 PolarHBondContact O-N 3.31Å; E61-S65 VanDerWaalsContact O-N 3.15Å; E61-S65 PolarHBondContact O-OG 2.78Å; A62-S65 WeakPolarHBondContact CA-OG 3.38Å; A62-S65 CarbonylContact O-C 3.59Å; A62-S65 WeakPolarHBondContact O-CA 3.36Å; A62-S65 PolarHBondContact O-N 2.93Å; A62-S65 PolarHBondContact O-OG 2.75Å; E63-S65 PolarHBondContact O-N 3.25Å
66	I	65.8	Low	65.9	Low	78 Å²	78	87.6 Å²	87.6	40%	0.4	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-95.5	132.8	-179.3	-70.3	161.9	0	0	0	109.7	A62 L72	A62-I66 HydrophobicContact CB-CD1 4.34Å; A62-I66 WeakPolarHBondContact O-CD1 3.47Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.78Å; I66-L72 HydrophobicContact CG1-CD2 3.88Å
67	N	60.1	Low	64.2	Low	50 Å²	50	92.1 Å²	92.1	27%	0.267	50%	0.496	S	S	.	.			trans	-70.8	163.3	176	-72.4	-23.5	0	0	0	112.6	D69 G70 T71	N67-D69 WeakPolarHBondContact CB-OD1 3.4Å; N67-D69 PolarHBondContact O-N 2.88Å; N67-D69 VanDerWaalsContact O-N 3.08Å; N67-G70 PolarHBondContact O-N 3.35Å; N67-T71 PolarHBondContact N-O 3.11Å; N67-T71 VanDerWaalsContact N-O 3.13Å; N67-T71 PolarHBondContact ND2-OG1 2.83Å
68	E	58.4	Low	63	Low	214 Å²	214	93.6 Å²	93.6	100%	1	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.4	170.9	-68.7	-174.7	175.3	0	0	113
69	D	55.7	Low	62.2	Low	119 Å²	119	94.9 Å²	94.9	64%	0.636	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	1.2	176.4	70.3	4.7	0	0	0	114.3	N67 T71	N67-D69 WeakPolarHBondContact CB-OD1 3.4Å; N67-D69 PolarHBondContact O-N 2.88Å; N67-D69 VanDerWaalsContact O-N 3.08Å; D69-T71 WeakPolarHBondContact OD1-CB 3.5Å; D69-T71 PolarHBondContact OD1-N 2.97Å; D69-T71 VanDerWaalsContact OD1-N 3.07Å; D69-T71 PolarHBondContact OD1-OG1 2.92Å
70	G	55.9	Low	61.5	Low	55 Å²	55	92.6 Å²	92.6	57%	0.567	51%	0.514	S	S	*	.	S	Bend	trans	83.1	6.6	177.3	0	0	0	0	0	115.8	N67	N67-G70 PolarHBondContact O-N 3.35Å
71	T	61.2	Low	61.3	Low	70 Å²	70	91.4 Å²	91.4	43%	0.429	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-84.7	144	177.2	58.5	0	0	0	0	112.6	N67 D69	N67-T71 PolarHBondContact N-O 3.11Å; N67-T71 VanDerWaalsContact N-O 3.13Å; N67-T71 PolarHBondContact ND2-OG1 2.83Å; D69-T71 WeakPolarHBondContact OD1-CB 3.5Å; D69-T71 PolarHBondContact OD1-N 2.97Å; D69-T71 VanDerWaalsContact OD1-N 3.07Å; D69-T71 PolarHBondContact OD1-OG1 2.92Å
72	L	56.7	Low	61.6	Low	131 Å²	131	91.7 Å²	91.7	69%	0.686	51%	0.513	S	S	*	.	B	Isolated β-bridge	trans	-87	139.3	176.8	-75.9	164.2	0	0	0	110.9	I66	I66-L72 HydrophobicContact CG1-CD2 3.88Å
73	F	59.4	Low	61.9	Low	99 Å²	99	94.7 Å²	94.7	43%	0.434	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-69.9	147.8	176.1	-171.9	-96	0	0	0	112.6	G75 Q106	F73-G75 PolarHBondContact O-N 2.89Å; F73-Q106 VanDerWaalsContact CZ-OE1 3.23Å
74	D	51.9	Low	62.3	Low	146 Å²	146	95.1 Å²	95.1	78%	0.781	53%	0.528	S	S	*	.			trans	-64.9	99.3	-170.8	-153.9	15.6	0	0	0	112.7	R76	D74-R76 VanDerWaalsContact C-N 3.26Å; D74-R76 PolarHBondContact O-N 2.66Å
75	G	51.9	Low	62.8	Low	78 Å²	78	96.2 Å²	96.2	80%	0.804	53%	0.534	S	S	*	.	S	Bend	trans	56.2	-0.8	145.1	0	0	0	0	0	121.5	F73	F73-G75 PolarHBondContact O-N 2.89Å
76	R	50.6	Low	63.3	Low	204 Å²	204	95.9 Å²	95.9	77%	0.77	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-95.7	135.1	178.4	-71.9	-169.7	-178.9	-169	1.3	111.6	D74 I78	D74-R76 VanDerWaalsContact C-N 3.26Å; D74-R76 PolarHBondContact O-N 2.66Å; R76-I78 PolarHBondContact O-N 3.48Å
77	P	49.5	Very low	63.9	Low	129 Å²	129	96.7 Å²	96.7	84%	0.838	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-62.8	127.4	-174.8	23.3	-30.7	0	0	0	110.8
78	I	56.8	Low	64.9	Low	65 Å²	65	99 Å²	99	33%	0.333	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-63.9	135.4	167.6	-63.1	169.1	0	0	0	107	R76 S80	R76-I78 PolarHBondContact O-N 3.48Å; I78-S80 PolarHBondContact O-N 2.69Å; I78-S80 VanDerWaalsContact O-N 3.12Å
79	E	60.7	Low	65.8	Low	149 Å²	149	93 Å²	93	70%	0.696	53%	0.531	S	S	*	.			trans	-64	113.4	166.4	-79.5	179.3	176.5	0	0	108.1	L81 R95	E79-L81 PolarHBondContact O-N 3Å; E79-R95 PolarHBondContact O-NH1 3.3Å
80	S	65.7	Low	67	Low	97 Å²	97	93 Å²	93	68%	0.678	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-46.9	125.8	-176.2	54.6	0	0	0	0	111.3	E61 I78	E61-S80 WeakPolarHBondContact OE1-CA 3.48Å; I78-S80 PolarHBondContact O-N 2.69Å; I78-S80 VanDerWaalsContact O-N 3.12Å
81	L	70.5	Confident	68	Low	10 Å²	10	92.6 Å²	92.6	5%	0.052	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-67.9	135	171.3	-88.3	158.4	0	0	0	108.3	L57 V60 E61 E79 D85	L57-L81 HydrophobicContact CD1-CB 3.81Å; L57-L81 WeakPolarHBondContact CD2-O 3.4Å; V60-L81 HydrophobicContact CG1-CD1 4.34Å; E61-L81 HydrophobicContact CG-CB 4.19Å; E61-L81 HydrophobicContact CG-CD1 3.84Å; E61-L81 HydrophobicContact CG-CG 4.39Å; E61-L81 PolarHBondContact OE1-N 3.22Å; E79-L81 PolarHBondContact O-N 3Å; L81-D85 HydrophobicContact CD2-CB 3.67Å
82	S	81.4	Confident	68.6	Low	44 Å²	44	90.3 Å²	90.3	31%	0.308	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-74.3	156.2	165.6	75.4	0	0	0	0	109.3	I84 D85 A86	S82-I84 PolarHBondContact O-N 2.79Å; S82-I84 WeakPolarHBondContact OG-CG2 3.42Å; S82-D85 WeakPolarHBondContact CB-OD2 3.35Å; S82-D85 PolarHBondContact O-N 2.83Å; S82-D85 VanDerWaalsContact O-N 3.15Å; S82-D85 WeakPolarHBondContact OG-CB 3.24Å; S82-D85 PolarHBondContact OG-N 2.85Å; S82-D85 PolarHBondContact OG-OD2 3.12Å; S82-A86 PolarHBondContact O-N 2.86Å; S82-A86 VanDerWaalsContact O-N 3.08Å
83	L	78.8	Confident	69.7	Low	95 Å²	95	89.4 Å²	89.4	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-57.8	-35.2	177.3	-178.1	59.5	0	0	0	112.3	I53	I53-L83 HydrophobicContact CG2-CD1 3.31Å; I53-L83 HydrophobicContact CG2-CD2 3.87Å; I53-L83 HydrophobicContact CG2-CG 4.22Å
84	I	80.8	Confident	70.7	Confident	113 Å²	113	89.2 Å²	89.2	58%	0.579	50%	0.502	S	S	*	.	H	α-helix	trans	-71.3	-37.9	178.7	-171.5	63	0	0	0	111.7	S82 A86 V87 M88	S82-I84 PolarHBondContact O-N 2.79Å; S82-I84 WeakPolarHBondContact OG-CG2 3.42Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 2.73Å; I84-V87 HydrophobicContact CD1-CG2 4.24Å; I84-V87 VanDerWaalsContact O-CG2 3.27Å; I84-V87 WeakPolarHBondContact O-CG2 3.45Å; I84-V87 PolarHBondContact O-N 2.81Å; I84-M88 VanDerWaalsContact O-CG 3.26Å; I84-M88 WeakPolarHBondContact O-CG 3.34Å
85	D	80.3	Confident	71.8	Confident	47 Å²	47	85.1 Å²	85.1	25%	0.251	48%	0.476	S	S	.	.	H	α-helix	trans	-66.8	-36.8	177.2	-64.1	-37	0	0	0	111.5	L81 S82 V87 M88 V91 V92	L81-D85 HydrophobicContact CD2-CB 3.67Å; S82-D85 WeakPolarHBondContact CB-OD2 3.35Å; S82-D85 PolarHBondContact O-N 2.83Å; S82-D85 VanDerWaalsContact O-N 3.15Å; S82-D85 WeakPolarHBondContact OG-CB 3.24Å; S82-D85 PolarHBondContact OG-N 2.85Å; S82-D85 PolarHBondContact OG-OD2 3.12Å; D85-V87 PolarHBondContact O-N 2.71Å; D85-M88 PolarHBondContact O-N 3.49Å; D85-V91 HydrophobicContact CB-CG1 3.91Å; D85-V92 WeakPolarHBondContact O-CG2 3.45Å
86	A	77.2	Confident	72.8	Confident	20 Å²	20	84.6 Å²	84.6	17%	0.165	45%	0.452	C	S	.	.	H	α-helix	trans	-67.3	-21.7	-177.7	0	0	0	0	0	114.1	L57 S82 I84	L57-A86 HydrophobicContact CD1-CB 3.41Å; L57-A86 VanDerWaalsContact CD1-CB 3.41Å; S82-A86 PolarHBondContact O-N 2.86Å; S82-A86 VanDerWaalsContact O-N 3.08Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 2.73Å
87	V	78.1	Confident	73.9	Confident	95 Å²	95	78.9 Å²	78.9	58%	0.576	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	0.4	178.6	-59.9	0	0	0	0	113.4	I84 D85 P89	I84-V87 HydrophobicContact CD1-CG2 4.24Å; I84-V87 VanDerWaalsContact O-CG2 3.27Å; I84-V87 WeakPolarHBondContact O-CG2 3.45Å; I84-V87 PolarHBondContact O-N 2.81Å; D85-V87 PolarHBondContact O-N 2.71Å; V87-P89 WeakPolarHBondContact O-CD 3.35Å
88	M	80.7	Confident	75.1	Confident	99 Å²	99	75 Å²	75	49%	0.488	41%	0.413	S	S	.	.			trans	-102.4	105.3	-179	-68.3	-70.5	-90.5	0	0	110.3	I84 D85 D90 V91 V92	I84-M88 VanDerWaalsContact O-CG 3.26Å; I84-M88 WeakPolarHBondContact O-CG 3.34Å; D85-M88 PolarHBondContact O-N 3.49Å; M88-D90 VanDerWaalsContact C-N 3.31Å; M88-D90 PolarHBondContact O-N 2.82Å; M88-V91 HydrophobicContact CB-CB 3.93Å; M88-V91 HydrophobicContact CB-CG2 3.72Å; M88-V91 PolarHBondContact O-N 2.82Å; M88-V92 WeakPolarHBondContact O-CG2 3.47Å; M88-V92 PolarHBondContact O-N 2.99Å
89	P	77	Confident	75.7	Confident	88 Å²	88	75.3 Å²	75.3	57%	0.571	41%	0.411	S	S	*	.	H	α-helix	trans	-56.8	-40	-172.1	-26.8	35.1	0	0	0	113.9	V87 V91 V92 Q93	V87-P89 WeakPolarHBondContact O-CD 3.35Å; P89-V91 VanDerWaalsContact C-N 3.35Å; P89-V91 PolarHBondContact O-N 3.19Å; P89-V92 PolarHBondContact O-N 3.44Å; P89-Q93 VanDerWaalsContact O-CB 3.31Å; P89-Q93 WeakPolarHBondContact O-CB 3.29Å; P89-Q93 VanDerWaalsContact O-CG 3.25Å; P89-Q93 WeakPolarHBondContact O-CG 3.42Å; P89-Q93 PolarHBondContact O-N 2.85Å
90	D	81.3	Confident	76	Confident	119 Å²	119	74.4 Å²	74.4	64%	0.636	40%	0.401	S	S	*	.	H	α-helix	trans	-68.2	-34.7	-179.8	-61.7	-25.6	0	0	0	112.1	M88 T94	M88-D90 VanDerWaalsContact C-N 3.31Å; M88-D90 PolarHBondContact O-N 2.82Å; D90-T94 WeakPolarHBondContact O-CB 3.32Å; D90-T94 PolarHBondContact O-N 2.89Å; D90-T94 PolarHBondContact O-OG1 3.31Å
91	V	78	Confident	76.3	Confident	47 Å²	47	73.8 Å²	73.8	29%	0.285	39%	0.39	S	S	.	.	H	α-helix	trans	-71.2	-45.4	177.7	178.9	0	0	0	0	109.8	D85 M88 P89 T94 R95	D85-V91 HydrophobicContact CB-CG1 3.91Å; M88-V91 HydrophobicContact CB-CB 3.93Å; M88-V91 HydrophobicContact CB-CG2 3.72Å; M88-V91 PolarHBondContact O-N 2.82Å; P89-V91 VanDerWaalsContact C-N 3.35Å; P89-V91 PolarHBondContact O-N 3.19Å; V91-T94 PolarHBondContact O-N 3.2Å; V91-R95 WeakPolarHBondContact O-CB 3.31Å; V91-R95 WeakPolarHBondContact O-CG 3.39Å; V91-R95 PolarHBondContact O-N 3.5Å
92	V	74.2	Confident	76.2	Confident	22 Å²	22	79.7 Å²	79.7	13%	0.133	42%	0.415	C	S	.	.	H	α-helix	trans	-60.4	-45.9	174.7	177	0	0	0	0	110.5	V64 D85 M88 P89 R95 Q96	V64-V92 HydrophobicContact CG2-CG1 4.42Å; D85-V92 WeakPolarHBondContact O-CG2 3.45Å; M88-V92 WeakPolarHBondContact O-CG2 3.47Å; M88-V92 PolarHBondContact O-N 2.99Å; P89-V92 PolarHBondContact O-N 3.44Å; V92-R95 PolarHBondContact O-N 3.35Å; V92-Q96 WeakPolarHBondContact O-CB 3.25Å; V92-Q96 VanDerWaalsContact O-CG 3.3Å; V92-Q96 WeakPolarHBondContact O-CG 3.31Å; V92-Q96 PolarHBondContact O-N 3.12Å
93	Q	78.8	Confident	75.4	Confident	112 Å²	112	80.9 Å²	80.9	52%	0.523	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-42.7	176.7	-77	178.9	18.4	0	0	112.6	P89 R95 Q96 Q97	P89-Q93 VanDerWaalsContact O-CB 3.31Å; P89-Q93 WeakPolarHBondContact O-CB 3.29Å; P89-Q93 VanDerWaalsContact O-CG 3.25Å; P89-Q93 WeakPolarHBondContact O-CG 3.42Å; P89-Q93 PolarHBondContact O-N 2.85Å; Q93-R95 VanDerWaalsContact C-N 3.31Å; Q93-R95 PolarHBondContact O-N 3.12Å; Q93-Q96 WeakPolarHBondContact O-CB 3.46Å; Q93-Q96 PolarHBondContact O-N 3.13Å; Q93-Q97 WeakPolarHBondContact O-CB 3.36Å; Q93-Q97 PolarHBondContact O-N 2.84Å
94	T	80.8	Confident	74.8	Confident	95 Å²	95	79.1 Å²	79.1	58%	0.583	42%	0.416	S	S	*	.	H	α-helix	trans	-62.8	-41.1	177.2	-61	0	0	0	0	110.7	D90 V91 Q97 A98	D90-T94 WeakPolarHBondContact O-CB 3.32Å; D90-T94 PolarHBondContact O-N 2.89Å; D90-T94 PolarHBondContact O-OG1 3.31Å; V91-T94 PolarHBondContact O-N 3.2Å; T94-Q97 PolarHBondContact O-N 2.88Å; T94-A98 WeakPolarHBondContact O-CB 3.11Å; T94-A98 PolarHBondContact O-N 2.78Å
95	R	74.9	Confident	74.1	Confident	60 Å²	60	80.3 Å²	80.3	23%	0.226	42%	0.419	C	S	.	.	H	α-helix	trans	-62.5	-50.5	172.9	-74.5	-121.5	-175.3	172.4	1.8	110.8	E79 V91 V92 Q93 Q97 A98 Y99	E79-R95 PolarHBondContact O-NH1 3.3Å; V91-R95 WeakPolarHBondContact O-CB 3.31Å; V91-R95 WeakPolarHBondContact O-CG 3.39Å; V91-R95 PolarHBondContact O-N 3.5Å; V92-R95 PolarHBondContact O-N 3.35Å; Q93-R95 VanDerWaalsContact C-N 3.31Å; Q93-R95 PolarHBondContact O-N 3.12Å; R95-Q97 PolarHBondContact O-N 2.79Å; R95-A98 PolarHBondContact O-N 3.06Å; R95-Y99 HydrophobicContact CB-CE2 4.49Å; R95-Y99 WeakPolarHBondContact O-CD2 3.45Å; R95-Y99 PolarHBondContact O-N 2.88Å
96	Q	71.9	Confident	73.3	Confident	66 Å²	66	83.1 Å²	83.1	31%	0.308	43%	0.431	S	S	.	.	H	α-helix	trans	-56	-38.8	175.9	-75.6	174.8	-9.8	0	0	112.5	V64 V92 Q93 Y99 R100	V64-Q96 HydrophobicContact CG1-CG 4.23Å; V64-Q96 HydrophobicContact CG2-CG 3.99Å; V92-Q96 WeakPolarHBondContact O-CB 3.25Å; V92-Q96 VanDerWaalsContact O-CG 3.3Å; V92-Q96 WeakPolarHBondContact O-CG 3.31Å; V92-Q96 PolarHBondContact O-N 3.12Å; Q93-Q96 WeakPolarHBondContact O-CB 3.46Å; Q93-Q96 PolarHBondContact O-N 3.13Å; Q96-Y99 PolarHBondContact O-N 2.89Å; Q96-R100 WeakPolarHBondContact O-CG 3.39Å; Q96-R100 PolarHBondContact O-N 2.72Å
97	Q	74.9	Confident	72.6	Confident	84 Å²	84	89.2 Å²	89.2	39%	0.393	46%	0.456	S	S	.	.	H	α-helix	trans	-70.2	-46.2	177.6	-168.3	68.3	31.8	0	0	111.2	Q93 T94 R95 Y99 R100 D101	Q93-Q97 WeakPolarHBondContact O-CB 3.36Å; Q93-Q97 PolarHBondContact O-N 2.84Å; T94-Q97 PolarHBondContact O-N 2.88Å; R95-Q97 PolarHBondContact O-N 2.79Å; Q97-Y99 PolarHBondContact O-N 3.49Å; Q97-R100 CarbonylContact O-C 3.57Å; Q97-R100 WeakPolarHBondContact O-CB 3.49Å; Q97-R100 PolarHBondContact O-N 3.19Å; Q97-R100 VanDerWaalsContact O-N 3.07Å; Q97-D101 VanDerWaalsContact O-CG 3.27Å; Q97-D101 PolarHBondContact O-N 3.27Å
98	A	73.8	Confident	71.8	Confident	47 Å²	47	87.3 Å²	87.3	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-59.8	-34.4	174.5	0	0	0	0	0	112	T94 R95 K102	T94-A98 WeakPolarHBondContact O-CB 3.11Å; T94-A98 PolarHBondContact O-N 2.78Å; R95-A98 PolarHBondContact O-N 3.06Å; A98-K102 WeakPolarHBondContact O-CB 3.38Å; A98-K102 WeakPolarHBondContact O-CG 3.38Å; A98-K102 PolarHBondContact O-N 3.15Å
99	Y	69	Low	70.7	Confident	73 Å²	73	86 Å²	86	29%	0.286	46%	0.455	S	S	.	.	H	α-helix	trans	-67.1	-46.3	171.4	-81.8	-68.5	0	0	0	112	V64 R95 Q96 Q97 D101 K102 M103	V64-Y99 HydrophobicContact CG1-CD2 3.61Å; V64-Y99 HydrophobicContact CG1-CE2 3.82Å; V64-Y99 HydrophobicContact CG1-CG 4.49Å; R95-Y99 HydrophobicContact CB-CE2 4.49Å; R95-Y99 WeakPolarHBondContact O-CD2 3.45Å; R95-Y99 PolarHBondContact O-N 2.88Å; Q96-Y99 PolarHBondContact O-N 2.89Å; Q97-Y99 PolarHBondContact O-N 3.49Å; Y99-D101 VanDerWaalsContact C-N 3.32Å; Y99-D101 PolarHBondContact O-N 3.23Å; Y99-K102 PolarHBondContact O-N 3.42Å; Y99-M103 WeakPolarHBondContact O-CG 3.45Å; Y99-M103 PolarHBondContact O-N 2.49Å
100	R	68.6	Low	69.7	Low	130 Å²	130	86.2 Å²	86.2	49%	0.491	46%	0.464	S	S	.	.	H	α-helix	trans	-59.9	-39.7	174.6	-80.9	-174	-89.9	160.1	-6.2	112.7	Q96 Q97 M103 A104	Q96-R100 WeakPolarHBondContact O-CG 3.39Å; Q96-R100 PolarHBondContact O-N 2.72Å; Q97-R100 CarbonylContact O-C 3.57Å; Q97-R100 WeakPolarHBondContact O-CB 3.49Å; Q97-R100 PolarHBondContact O-N 3.19Å; Q97-R100 VanDerWaalsContact O-N 3.07Å; R100-M103 WeakPolarHBondContact O-CB 3.47Å; R100-M103 PolarHBondContact O-N 2.84Å; R100-A104 PolarHBondContact O-N 2.92Å
101	D	71.7	Confident	68.3	Low	83 Å²	83	85 Å²	85	44%	0.444	47%	0.465	S	S	.	.	H	α-helix	trans	-69.7	-39.9	178.4	-66.3	-16.3	0	0	0	111.4	Q97 Y99 M103 A104 Q105	Q97-D101 VanDerWaalsContact O-CG 3.27Å; Q97-D101 PolarHBondContact O-N 3.27Å; Y99-D101 VanDerWaalsContact C-N 3.32Å; Y99-D101 PolarHBondContact O-N 3.23Å; D101-M103 VanDerWaalsContact C-N 3.33Å; D101-M103 PolarHBondContact O-N 3.07Å; D101-A104 PolarHBondContact O-N 2.85Å; D101-Q105 WeakPolarHBondContact O-CG 3.45Å; D101-Q105 PolarHBondContact O-N 2.9Å
102	K	69	Low	66.8	Low	134 Å²	134	86 Å²	86	58%	0.583	48%	0.478	S	S	*	.	H	α-helix	trans	-62.1	-38	170.5	-80.1	179.9	179.6	175.8	0	112.1	A98 Y99 Q105 Q106	A98-K102 WeakPolarHBondContact O-CB 3.38Å; A98-K102 WeakPolarHBondContact O-CG 3.38Å; A98-K102 PolarHBondContact O-N 3.15Å; Y99-K102 PolarHBondContact O-N 3.42Å; K102-Q105 PolarHBondContact O-N 2.99Å; K102-Q106 PolarHBondContact O-N 3.13Å
103	M	63.4	Low	65.3	Low	69 Å²	69	90.4 Å²	90.4	34%	0.34	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-47.1	174.2	-73	-144.5	-63.3	0	0	111.9	Y99 R100 D101 Q105 Q106 Q107	Y99-M103 WeakPolarHBondContact O-CG 3.45Å; Y99-M103 PolarHBondContact O-N 2.49Å; R100-M103 WeakPolarHBondContact O-CB 3.47Å; R100-M103 PolarHBondContact O-N 2.84Å; D101-M103 VanDerWaalsContact C-N 3.33Å; D101-M103 PolarHBondContact O-N 3.07Å; M103-Q105 VanDerWaalsContact C-N 3.25Å; M103-Q105 PolarHBondContact O-N 3.37Å; M103-Q106 PolarHBondContact O-N 3.41Å; M103-Q107 PolarHBondContact O-N 3.35Å
104	A	65.6	Low	63.8	Low	58 Å²	58	90.3 Å²	90.3	48%	0.479	53%	0.525	S	S	.	.	H	α-helix	trans	-59.8	-39	177.7	0	0	0	0	0	111.4	R100 D101 A108	R100-A104 PolarHBondContact O-N 2.92Å; D101-A104 PolarHBondContact O-N 2.85Å; A104-A108 WeakPolarHBondContact O-CB 3.23Å; A104-A108 PolarHBondContact O-N 3.29Å
105	Q	66.9	Low	61.6	Low	139 Å²	139	91.3 Å²	91.3	65%	0.65	54%	0.537	S	S	*	.	H	α-helix	trans	-67.1	-39.3	175.6	-74.1	175.5	2.9	0	0	113.1	D101 K102 M103 A109	D101-Q105 WeakPolarHBondContact O-CG 3.45Å; D101-Q105 PolarHBondContact O-N 2.9Å; K102-Q105 PolarHBondContact O-N 2.99Å; M103-Q105 VanDerWaalsContact C-N 3.25Å; M103-Q105 PolarHBondContact O-N 3.37Å; Q105-A109 WeakPolarHBondContact O-CB 3.48Å; Q105-A109 PolarHBondContact O-N 3.29Å
106	Q	63.3	Low	59.7	Low	106 Å²	106	93.2 Å²	93.2	50%	0.495	57%	0.565	S	S	.	*	H	α-helix	trans	-72.5	-39.5	177.1	-85.4	-175.6	-7	0	0	113.3	F73 K102 M103 A109 A110	F73-Q106 VanDerWaalsContact CZ-OE1 3.23Å; K102-Q106 PolarHBondContact O-N 3.13Å; M103-Q106 PolarHBondContact O-N 3.41Å; Q106-A109 PolarHBondContact O-N 2.76Å; Q106-A110 PolarHBondContact O-N 2.8Å
107	Q	62.3	Low	57.9	Low	147 Å²	147	95.1 Å²	95.1	69%	0.687	59%	0.592	S	S	*	*	H	α-helix	trans	-65.6	-39.2	172.7	-82.3	178.7	-13	0	0	111.5	M103 A110 S111	M103-Q107 PolarHBondContact O-N 3.35Å; Q107-A110 PolarHBondContact O-N 3.02Å; Q107-S111 WeakPolarHBondContact O-CB 3.49Å; Q107-S111 PolarHBondContact O-N 2.79Å; Q107-S111 VanDerWaalsContact O-N 3.17Å; Q107-S111 PolarHBondContact O-OG 3.11Å
108	A	61.1	Low	55.7	Low	55 Å²	55	95 Å²	95	46%	0.455	61%	0.613	S	S	.	*	H	α-helix	trans	-62.3	-42.8	173	0	0	0	0	0	111.7	A104 A110 S111 A112	A104-A108 WeakPolarHBondContact O-CB 3.23Å; A104-A108 PolarHBondContact O-N 3.29Å; A108-A110 PolarHBondContact O-N 3.03Å; A108-S111 WeakPolarHBondContact CA-OG 3.15Å; A108-S111 PolarHBondContact O-N 3Å; A108-S111 VanDerWaalsContact O-N 3.15Å; A108-S111 PolarHBondContact O-OG 3.05Å; A108-A112 PolarHBondContact O-N 3.35Å; A108-A112 VanDerWaalsContact O-N 3.14Å
109	A	58.8	Low	53.6	Low	73 Å²	73	96.1 Å²	96.1	60%	0.603	63%	0.63	S	S	*	*	H	α-helix	trans	-66	-32.8	177	0	0	0	0	0	113.5	Q105 Q106 S111	Q105-A109 WeakPolarHBondContact O-CB 3.48Å; Q105-A109 PolarHBondContact O-N 3.29Å; Q106-A109 PolarHBondContact O-N 2.76Å; A109-S111 VanDerWaalsContact C-N 3.29Å
110	A	56.2	Low	51.7	Low	92 Å²	92	97.9 Å²	97.9	76%	0.76	65%	0.652	S	S	*	*	H	α-helix	trans	-75.1	-16.4	174.1	0	0	0	0	0	113.6	Q106 Q107 A108	Q106-A110 PolarHBondContact O-N 2.8Å; Q107-A110 PolarHBondContact O-N 3.02Å; A108-A110 PolarHBondContact O-N 3.03Å
111	S	52	Low	49.9	Very low	92 Å²	92	99 Å²	99	64%	0.643	67%	0.667	S	S	*	*	H	α-helix	trans	-104.9	-3.1	-179.3	69.3	0	0	0	0	114.5	Q107 A108 A109 P113	Q107-S111 WeakPolarHBondContact O-CB 3.49Å; Q107-S111 PolarHBondContact O-N 2.79Å; Q107-S111 VanDerWaalsContact O-N 3.17Å; Q107-S111 PolarHBondContact O-OG 3.11Å; A108-S111 WeakPolarHBondContact CA-OG 3.15Å; A108-S111 PolarHBondContact O-N 3Å; A108-S111 VanDerWaalsContact O-N 3.15Å; A108-S111 PolarHBondContact O-OG 3.05Å; A109-S111 VanDerWaalsContact C-N 3.29Å; S111-P113 WeakPolarHBondContact O-CD 3.45Å
112	A	46.6	Very low	47.9	Very low	68 Å²	68	99.9 Å²	99.9	56%	0.562	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-78.9	121.4	-178.9	0	0	0	0	0	111.2	A108	A108-A112 PolarHBondContact O-N 3.35Å; A108-A112 VanDerWaalsContact O-N 3.14Å
113	P	42.6	Very low	46	Very low	115 Å²	115	96.8 Å²	96.8	75%	0.747	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-71.3	133.2	173.1	28.7	-30.2	0	0	0	109.5	S111 S115	S111-P113 WeakPolarHBondContact O-CD 3.45Å; P113-S115 PolarHBondContact O-N 2.95Å
114	A	46.2	Very low	44.4	Very low	110 Å²	110	101.6 Å²	101.6	91%	0.909	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-59.4	117	173.8	0	0	0	0	0	110.2
115	S	35.1	Very low	42.8	Very low	117 Å²	117	102.3 Å²	102.3	82%	0.818	72%	0.724	S	S	*	*			trans	-133.1	133	165.1	61.5	0	0	0	0	112	P113	P113-S115 PolarHBondContact O-N 2.95Å
116	A	33.9	Very low	41.1	Very low	99 Å²	99	104.8 Å²	104.8	82%	0.818	73%	0.733	S	S	*	*			trans	-66.4	147.8	-164.8	0	0	0	0	0	115.5
117	A	34.3	Very low	39.5	Very low	106 Å²	106	106.8 Å²	106.8	88%	0.876	75%	0.747	S	S	*	*			trans	-12.4	140.6	149.6	0	0	0	0	0	118.7
118	G	29.4	Very low	37.9	Very low	82 Å²	82	103.2 Å²	103.2	85%	0.845	75%	0.75	S	S	*	*			trans	168.4	115.1	150.7	0	0	0	0	0	116
119	G	30.4	Very low	36.4	Very low	71 Å²	71	109 Å²	109	73%	0.732	77%	0.768	S	S	*	*			trans	86.7	111	150.6	0	0	0	0	0	116.7
120	S	28	Very low	34.9	Very low	109 Å²	109	111.8 Å²	111.8	76%	0.762	77%	0.772	S	S	*	*				90.8	124.2	56.9	75.3	0	0	0	0	114.8
121	I	31.2	Very low	33.6	Very low	155 Å²	155	113.4 Å²	113.4	80%	0.795	77%	0.773	S	S	*	*			trans	97	103.1	147	-58.6	160	0	0	0	119.4
122	A	29.4	Very low	32.4	Very low	100 Å²	100	113.9 Å²	113.9	83%	0.826	78%	0.783	S	S	*	*				59.9	131.7	122.2	0	0	0	0	0	123.7
123	G	29	Very low	31.6	Very low	69 Å²	69	118.4 Å²	118.4	71%	0.711	80%	0.797	S	S	*	*				141.5	100.8	120.8	0	0	0	0	0	118.5
124	N	30.1	Very low	31.2	Very low	171 Å²	171	116.5 Å²	116.5	91%	0.914	80%	0.799	S	S	*	*			trans	58.5	145.5	142.5	-82.2	9.8	0	0	0	121
125	A	31.6	Very low	30.4	Very low	73 Å²	73	119.3 Å²	119.3	60%	0.603	79%	0.793	S	S	*	*			cis	-173	154.6	4.1	0	0	0	0	0	111.5
126	K	32.4	Very low	30.1	Very low	190 Å²	190	120.9 Å²	120.9	83%	0.826	79%	0.787	S	S	*	*			trans	68.5	140.2	145.9	-75.9	179	179	-176.7	0	118.7
127	N	29.1	Very low	29.8	Very low	148 Å²	148	123.2 Å²	123.2	79%	0.791	79%	0.786	S	S	*	*			cis	-166.8	150.5	28.8	-111.4	-7.4	0	0	0	111.3
128	G	28	Very low	29.4	Very low	73 Å²	73	122 Å²	122	75%	0.753	78%	0.784	S	S	*	*			trans	73.9	139.9	144.7	0	0	0	0	0	118.3
129	E	29.3	Very low	29.4	Very low	176 Å²	176	122 Å²	122	82%	0.822	78%	0.776	S	S	*	*			cis	-163.7	151.8	8.3	-91.2	179.1	146.2	0	0	108.2
130	N	28.7	Very low	29.2	Very low	131 Å²	131	127.7 Å²	127.7	70%	0.701	78%	0.783	S	S	*	*			trans	60.5	92.3	145.8	-64.4	-12.7	0	0	0	121.7
131	T	27.3	Very low	29.1	Very low	127 Å²	127	126.7 Å²	126.7	78%	0.779	78%	0.782	S	S	*	*				36.1	106.5	115.5	58.4	0	0	0	0	119.4
132	A	28.7	Very low	29	Very low	102 Å²	102	128.1 Å²	128.1	84%	0.843	79%	0.79	S	S	*	*				-154.5	107.1	123.1	0	0	0	0	0	108.4	G134	A132-G134 PolarHBondContact O-N 3.02Å
133	N	28.8	Very low	28.8	Very low	163 Å²	163	127.5 Å²	127.5	87%	0.872	79%	0.785	S	S	*	*			trans	-64.2	114.5	177.9	-74.8	-5.5	0	0	0	110.3
134	G	33.3	Very low	29	Very low	75 Å²	75	131.5 Å²	131.5	77%	0.773	79%	0.79	S	S	*	*			trans	-111	110.5	146.3	0	0	0	0	0	107.3	A132	A132-G134 PolarHBondContact O-N 3.02Å
135	E	29.9	Very low	28.7	Very low	168 Å²	168	130.3 Å²	130.3	79%	0.785	78%	0.784	S	S	*	*			trans	-154.7	144.5	167.3	-89.2	-173.2	-178	0	0	104.8
136	E	28.8	Very low	29	Very low	151 Å²	151	135.4 Å²	135.4	71%	0.706	79%	0.794	S	S	*	*			cis	-166.8	147.3	-10.3	-127.7	-175.3	164.9	0	0	105.8
137	N	27.8	Very low	29.2	Very low	147 Å²	147	131.2 Å²	131.2	79%	0.786	79%	0.789	S	S	*	*			trans	18.4	127.4	137.3	-66.8	-30.8	0	0	0	119.9
138	G	25.4	Very low	29.2	Very low	81 Å²	81	131.6 Å²	131.6	84%	0.835	79%	0.791	S	S	*	*			trans	-145.1	80.5	151.7	0	0	0	0	0	109.5
139	A	29.8	Very low	29.7	Very low	83 Å²	83	135.9 Å²	135.9	69%	0.686	80%	0.796	S	S	*	*			trans	-51	148.4	172.3	0	0	0	0	0	112.5
140	H	26.3	Very low	30.4	Very low	190 Å²	190	135.2 Å²	135.2	88%	0.88	80%	0.795	S	S	*	*				-171.4	129.4	128.6	-101.5	-67.2	0	0	0	113.2
141	A	26.4	Very low	30.8	Very low	88 Å²	88	138.3 Å²	138.3	73%	0.727	81%	0.805	S	S	*	*			trans	72.4	94.7	147.2	0	0	0	0	0	119.4	A143	A141-A143 PolarHBondContact O-N 2.88Å
142	L	29.8	Very low	31.7	Very low	184 Å²	184	136.1 Å²	136.1	96%	0.963	79%	0.791	S	S	*	*			trans	-59.7	109.4	146.5	-77.4	154.9	0	0	0	109.2
143	A	24.7	Very low	32.6	Very low	87 Å²	87	136.9 Å²	136.9	72%	0.719	78%	0.781	S	S	*	*			trans	-97.9	114.2	159	0	0	0	0	0	108.1	A141 N145	A141-A143 PolarHBondContact O-N 2.88Å; A143-N145 PolarHBondContact O-N 2.81Å
144	N	31.9	Very low	33.8	Very low	154 Å²	154	132.1 Å²	132.1	82%	0.824	77%	0.77	S	S	*	*			trans	-54.2	115.2	156.8	-103.7	-13.6	0	0	0	108.4
145	N	25.3	Very low	35.7	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	77%	0.772	S	S	*	*			trans	-140.8	98.3	149	-93.8	-17.3	0	0	0	108	A143	A143-N145 PolarHBondContact O-N 2.81Å
146	H	37.1	Very low	38.5	Very low	179 Å²	179	129 Å²	129	83%	0.829	74%	0.743	S	S	*	*			trans	-51.9	145.3	145.7	-102.4	-89.5	0	0	0	108.6
147	S	37.4	Very low	41.6	Very low	103 Å²	103	124.8 Å²	124.8	72%	0.72	72%	0.723	S	S	*	*			trans	83.5	69.4	176	72.8	0	0	0	0	117.4
148	D	28	Very low	44.8	Very low	155 Å²	155	118.2 Å²	118.2	83%	0.829	69%	0.687	S	S	*	*			trans	-108.9	94.3	145.6	-80.2	-33.5	0	0	0	108	M150	D148-M150 PolarHBondContact O-N 3Å
149	L	38.7	Very low	48.1	Very low	164 Å²	164	117.1 Å²	117.1	86%	0.859	67%	0.665	S	S	*	*			trans	-54.3	113.5	159.4	-79.1	149.8	0	0	0	106.7	E151	L149-E151 PolarHBondContact O-N 2.67Å; L149-E151 VanDerWaalsContact O-N 3.12Å
150	M	43.6	Very low	50.9	Low	161 Å²	161	121.6 Å²	121.6	79%	0.793	67%	0.672	S	S	*	*			trans	-56.5	120	171.1	-75.3	-178	173.6	0	0	108.3	D148 V152	D148-M150 PolarHBondContact O-N 3Å; M150-V152 VanDerWaalsContact C-N 3.26Å; M150-V152 PolarHBondContact O-N 2.76Å
151	E	38	Very low	54.1	Low	196 Å²	196	119.3 Å²	119.3	92%	0.916	67%	0.666	S	S	*	*			trans	-61.1	94.3	164.4	-76.4	-174	153.3	0	0	107.7	L149 D153	L149-E151 PolarHBondContact O-N 2.67Å; L149-E151 VanDerWaalsContact O-N 3.12Å; E151-D153 PolarHBondContact O-N 2.61Å
152	V	46.5	Very low	57.3	Low	81 Å²	81	117.6 Å²	117.6	49%	0.491	64%	0.643	S	S	.	*			trans	-64.4	127.3	159	-179.2	0	0	0	0	105.4	M150 G154 E157	M150-V152 VanDerWaalsContact C-N 3.26Å; M150-V152 PolarHBondContact O-N 2.76Å; V152-G154 PolarHBondContact O-N 3.47Å; V152-E157 HydrophobicContact CG1-CB 4.18Å
153	D	46.3	Very low	60.4	Low	119 Å²	119	109.6 Å²	109.6	64%	0.636	60%	0.603	S	S	*	*			trans	-51.3	106.2	173.3	-153	-3.2	0	0	0	107.8	E151 D155 V156	E151-D153 PolarHBondContact O-N 2.61Å; D153-D155 PolarHBondContact O-N 3.1Å; D153-V156 PolarHBondContact O-N 2.58Å; D153-V156 VanDerWaalsContact O-N 3.1Å
154	G	55.7	Low	63.8	Low	62 Å²	62	110 Å²	110	64%	0.639	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-13.7	-164.2	0	0	0	0	0	113.7	V152 V156	V152-G154 PolarHBondContact O-N 3.47Å; G154-V156 VanDerWaalsContact C-N 3.34Å
155	D	71.6	Confident	66.8	Low	153 Å²	153	105.5 Å²	105.5	82%	0.818	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-16.1	-180	-72.3	-14	0	0	0	113.8	D153	D153-D155 PolarHBondContact O-N 3.1Å
156	V	90.1	Very high	70.2	Confident	26 Å²	26	98.8 Å²	98.8	16%	0.158	53%	0.533	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-24.5	-173.2	178.2	0	0	0	0	112.9	D153 G154 I158 L477 H479 S480	D153-V156 PolarHBondContact O-N 2.58Å; D153-V156 VanDerWaalsContact O-N 3.1Å; G154-V156 VanDerWaalsContact C-N 3.34Å; V156-I158 PolarHBondContact O-N 3.28Å; V156-L477 HydrophobicContact CG1-CD2 3.89Å; V156-L477 HydrophobicContact CG1-CG 3.77Å; V156-H479 CarbonylContact O-C 3.59Å; V156-H479 VanDerWaalsContact O-CA 3.23Å; V156-H479 WeakPolarHBondContact O-CA 3.26Å; V156-S480 PolarHBondContact O-N 3.01Å
157	E	94.2	Very high	72.9	Confident	61 Å²	61	97.2 Å²	97.2	29%	0.285	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	-70.6	131.7	-178	-165.9	69.8	-171.5	0	0	111.1	V152 P159 S480 R482	V152-E157 HydrophobicContact CG1-CB 4.18Å; E157-P159 WeakPolarHBondContact O-CD 3.27Å; E157-S480 CarbonylContact C-O 3.58Å; E157-S480 WeakPolarHBondContact CA-O 3.35Å; E157-S480 WeakPolarHBondContact OE2-CB 3.33Å; E157-S480 PolarHBondContact OE2-OG 2.66Å; E157-R482 PolarHBondContact OE1-N 2.83Å
158	I	94.6	Very high	75.4	Confident	9 Å²	9	93.7 Å²	93.7	5%	0.046	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-70.7	119.6	175.7	-62	177.4	0	0	0	107.6	V156 K162 H479 S480 L511 L513	V156-I158 PolarHBondContact O-N 3.28Å; I158-K162 HydrophobicContact CG2-CB 3.82Å; I158-H479 HydrophobicContact CD1-CB 3.95Å; I158-H479 HydrophobicContact CG1-CB 3.86Å; I158-S480 WeakPolarHBondContact CG1-O 3.41Å; I158-S480 PolarHBondContact N-O 3.34Å; I158-L511 HydrophobicContact CD1-CB 3.88Å; I158-L511 HydrophobicContact CD1-CD1 4.04Å; I158-L511 HydrophobicContact CD1-CG 4.36Å; I158-L513 HydrophobicContact CD1-CD2 3.39Å; I158-L513 HydrophobicContact CG1-CD2 4.28Å
159	P	93.4	Very high	78.5	Confident	58 Å²	58	87.1 Å²	87.1	38%	0.377	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-69.2	151.2	-175.8	31.2	-37.1	0	0	0	110.3	E157 N161 K162 A163	E157-P159 WeakPolarHBondContact O-CD 3.27Å; P159-N161 VanDerWaalsContact CB-OD1 3.23Å; P159-N161 WeakPolarHBondContact CB-OD1 3.45Å; P159-N161 VanDerWaalsContact CG-OD1 3.28Å; P159-N161 WeakPolarHBondContact CG-OD1 3.36Å; P159-N161 PolarHBondContact O-N 3.4Å; P159-K162 HydrophobicContact CG-CB 4.13Å; P159-K162 HydrophobicContact CG-CD 3.95Å; P159-K162 HydrophobicContact CG-CG 4.02Å; P159-K162 WeakPolarHBondContact O-CA 2.94Å; P159-K162 PolarHBondContact O-N 3.03Å; P159-A163 PolarHBondContact O-N 2.81Å
160	Q	90.2	Very high	81	Confident	178 Å²	178	87.6 Å²	87.6	83%	0.832	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-57.4	-29.3	-173.3	-167.5	177.4	11.1	0	0	113.5	K162 A163	Q160-K162 PolarHBondContact O-N 2.84Å; Q160-A163 PolarHBondContact O-N 3.48Å; Q160-A163 VanDerWaalsContact O-O 3.14Å
161	N	91.9	Very high	83.1	Confident	141 Å²	141	81.7 Å²	81.7	75%	0.754	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-70.8	-15	175.8	68.4	-46.1	0	0	0	114	P159	P159-N161 VanDerWaalsContact CB-OD1 3.23Å; P159-N161 WeakPolarHBondContact CB-OD1 3.45Å; P159-N161 VanDerWaalsContact CG-OD1 3.28Å; P159-N161 WeakPolarHBondContact CG-OD1 3.36Å; P159-N161 PolarHBondContact O-N 3.4Å
162	K	94.5	Very high	85.6	Confident	53 Å²	53	74.5 Å²	74.5	23%	0.23	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-103.3	1.3	173.8	-70.1	-172.9	178.5	175.4	0	112.8	I158 P159 Q160 D512 R514 K515	I158-K162 HydrophobicContact CG2-CB 3.82Å; P159-K162 HydrophobicContact CG-CB 4.13Å; P159-K162 HydrophobicContact CG-CD 3.95Å; P159-K162 HydrophobicContact CG-CG 4.02Å; P159-K162 WeakPolarHBondContact O-CA 2.94Å; P159-K162 PolarHBondContact O-N 3.03Å; Q160-K162 PolarHBondContact O-N 2.84Å; K162-D512 HydrophobicContact CB-CB 4.14Å; K162-D512 HydrophobicContact CG-CB 4.48Å; K162-D512 PolarHBondContact O-N 3.33Å; K162-R514 WeakPolarHBondContact CE-O 3.49Å; K162-R514 PolarHBondContact NZ-O 3.46Å; K162-K515 PolarHBondContact NZ-OXT 3.17Å
163	A	95.4	Very high	87.9	Confident	15 Å²	15	70.7 Å²	70.7	12%	0.124	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	106	176.7	0	0	0	0	0	110.4	P159 Q160 Y481 L511	P159-A163 PolarHBondContact O-N 2.81Å; Q160-A163 PolarHBondContact O-N 3.48Å; Q160-A163 VanDerWaalsContact O-O 3.14Å; A163-Y481 HydrophobicContact CB-CD2 3.86Å; A163-Y481 HydrophobicContact CB-CE2 3.46Å; A163-Y481 VanDerWaalsContact CB-CE2 3.46Å; A163-L511 HydrophobicContact CB-CD2 3.92Å
164	M	95.4	Very high	90.1	Very high	97 Å²	97	67.6 Å²	67.6	48%	0.478	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.1	175.9	-175	-178	-57	0	0	109.7	L166 L199 C509 V510	M164-L166 HydrophobicContact CG-CD2 3.87Å; M164-L166 HydrophobicContact SD-CD2 3.7Å; M164-L199 HydrophobicContact SD-CD2 3.73Å; M164-C509 CarbonylContact O-C 3.51Å; M164-C509 WeakPolarHBondContact O-CA 3.34Å; M164-V510 HydrophobicContact CB-CB 4.29Å; M164-V510 PolarHBondContact N-O 2.95Å; M164-V510 PolarHBondContact O-N 2.98Å
165	V	95.9	Very high	92.1	Very high	58 Å²	58	65.7 Å²	65.7	35%	0.352	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	108.8	176.7	-174.5	0	0	0	0	109.3	R167	V165-R167 HydrophobicContact CG1-CG 4.29Å
166	L	95.8	Very high	93.3	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.9	177.2	-51.5	174.3	0	0	0	109.1	M164 W197 L199 V508 V510	M164-L166 HydrophobicContact CG-CD2 3.87Å; M164-L166 HydrophobicContact SD-CD2 3.7Å; L166-W197 HydrophobicContact CB-CD2 4.16Å; L166-W197 HydrophobicContact CB-CE3 3.74Å; L166-W197 HydrophobicContact CB-CH2 3.91Å; L166-W197 HydrophobicContact CB-CZ2 4.38Å; L166-W197 HydrophobicContact CB-CZ3 3.58Å; L166-W197 HydrophobicContact CD1-CB 3.79Å; L166-W197 HydrophobicContact CD1-CD2 3.66Å; L166-W197 HydrophobicContact CD1-CE3 3.82Å; L166-W197 HydrophobicContact CD1-CG 3.65Å; L166-W197 HydrophobicContact CD2-CE3 4.32Å; L166-W197 HydrophobicContact CG-CD2 4.46Å; L166-W197 HydrophobicContact CG-CE3 4.18Å; L166-W197 HydrophobicContact CG-CZ3 4.49Å; L166-L199 HydrophobicContact CD1-CD2 4.14Å; L166-L199 HydrophobicContact CD2-CD2 4.19Å; L166-V508 WeakPolarHBondContact CA-O 3.36Å; L166-V508 HydrophobicContact CB-CB 4.22Å; L166-V508 VanDerWaalsContact CB-O 3.26Å; L166-V508 WeakPolarHBondContact CB-O 3.38Å; L166-V508 HydrophobicContact CD1-CG1 4.28Å; L166-V508 PolarHBondContact N-O 3.18Å; L166-V508 PolarHBondContact O-N 2.98Å; L166-V510 HydrophobicContact CD1-CG2 3.81Å; L166-V510 HydrophobicContact CG-CG2 4.39Å
167	R	92.8	Very high	93.8	Very high	146 Å²	146	58.1 Å²	58.1	55%	0.551	30%	0.297	S	S	*	.			trans	-120.7	152.7	179.2	-64	-169.9	-179.3	-78	-3.2	110.6	V165	V165-R167 HydrophobicContact CG1-CG 4.29Å
168	G	90.9	Very high	94	Very high	29 Å²	29	56.1 Å²	56.1	30%	0.299	29%	0.287	S	S	.	.			trans	154.1	-29.3	174.8	0	0	0	0	0	112.7	R195	G168-R195 VanDerWaalsContact C-NH2 3.27Å; G168-R195 PolarHBondContact O-NH1 2.99Å; G168-R195 PolarHBondContact O-NH2 3.49Å
169	H	93.3	Very high	94.2	Very high	16 Å²	16	55.7 Å²	55.7	7%	0.074	29%	0.285	C	S	.	.			trans	-62.8	144.6	169.9	-76.8	-65.6	0	0	0	110.9	V173 S187 S189 D191 T193 R195 W197	H169-V173 HydrophobicContact CB-CG2 3.82Å; H169-S187 PolarHBondContact NE2-OG 3.1Å; H169-S189 VanDerWaalsContact CE1-CB 3.41Å; H169-S189 WeakPolarHBondContact CE1-CB 3.33Å; H169-S189 WeakPolarHBondContact ND1-CB 3.47Å; H169-D191 WeakPolarHBondContact CA-OD2 3.09Å; H169-D191 IonicContact CE1-OD1 2.75Å; H169-D191 IonicContact CG-OD2 3.29Å; H169-D191 IonicContact ND1-OD1 2.69Å; H169-D191 PolarHBondContact ND1-OD1 2.67Å; H169-D191 IonicContact ND1-OD2 3.94Å; H169-D191 PolarHBondContact ND1-OD2 2.84Å; H169-T193 PolarHBondContact CE1-O 3.3Å; H169-T193 PolarHBondContact CE1-OG1 2.99Å; H169-T193 PolarHBondContact ND1-OG1 2.93Å; H169-R195 PolarHBondContact ND1-NE 2.98Å; H169-W197 AromaticContact CD2-CZ2 3.91Å
170	E	90.1	Very high	94.4	Very high	174 Å²	174	55.6 Å²	55.6	81%	0.813	28%	0.284	S	S	*	.	S	Bend	trans	-103.4	-5.5	-175.1	-62.2	-179.6	179.6	0	0	113.2	D191	E170-D191 HydrophobicContact CB-CB 4.05Å; E170-D191 PolarHBondContact N-OD2 2.57Å
171	S	88.1	Confident	94.7	Very high	38 Å²	38	51.8 Å²	51.8	27%	0.266	27%	0.273	S	S	.	.	S	Bend	trans	-141.9	-175.5	175.1	-153.8	0	0	0	0	110.3	S189 G506	S171-S189 PolarHBondContact O-OG 2.64Å; S171-G506 WeakPolarHBondContact O-CA 3.49Å
172	E	90.5	Very high	94.8	Very high	45 Å²	45	47.2 Å²	47.2	21%	0.21	25%	0.252	C	S	.	.			trans	-52.6	143.5	176.4	57.3	-85.7	123.2	0	0	113.6	F174 S189 G190 F488	E172-F174 HydrophobicContact CB-CE1 4.35Å; E172-F174 HydrophobicContact CG-CD1 4.1Å; E172-F174 HydrophobicContact CG-CE1 3.32Å; E172-F174 HydrophobicContact CG-CE2 3.95Å; E172-F174 HydrophobicContact CG-CZ 3.23Å; E172-S189 VanDerWaalsContact O-CA 3.22Å; E172-S189 WeakPolarHBondContact O-CA 3.34Å; E172-S189 VanDerWaalsContact O-CB 3.26Å; E172-S189 WeakPolarHBondContact O-CB 3.23Å; E172-S189 PolarHBondContact O-OG 2.93Å; E172-G190 PolarHBondContact O-N 2.84Å; E172-F488 HydrophobicContact CB-CE2 3.89Å; E172-F488 HydrophobicContact CG-CE2 4.44Å
173	V	96.1	Very high	94.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	101	177.3	-166.1	0	0	0	0	108.9	H169 G188 F488 S502 A503 V508	H169-V173 HydrophobicContact CB-CG2 3.82Å; V173-G188 CarbonylContact C-O 3.47Å; V173-G188 VanDerWaalsContact CG1-O 3.26Å; V173-G188 WeakPolarHBondContact CG1-O 3.45Å; V173-F488 WeakPolarHBondContact O-CD2 3.41Å; V173-S502 CarbonylContact O-C 3.53Å; V173-S502 VanDerWaalsContact O-CB 3.24Å; V173-S502 WeakPolarHBondContact O-CB 3.28Å; V173-S502 PolarHBondContact O-OG 2.94Å; V173-S502 VanDerWaalsContact O-OG 3.14Å; V173-A503 PolarHBondContact N-O 3.23Å; V173-V508 HydrophobicContact CB-CG2 4.38Å; V173-V508 HydrophobicContact CG1-CG2 3.88Å; V173-V508 HydrophobicContact CG2-CG2 4.16Å
174	F	91.3	Very high	95	Very high	54 Å²	54	46.8 Å²	46.8	24%	0.237	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-32.5	-174	-59.7	-63.5	0	0	0	113.1	E172 G188 D228 F488	E172-F174 HydrophobicContact CB-CE1 4.35Å; E172-F174 HydrophobicContact CG-CD1 4.1Å; E172-F174 HydrophobicContact CG-CE1 3.32Å; E172-F174 HydrophobicContact CG-CE2 3.95Å; E172-F174 HydrophobicContact CG-CZ 3.23Å; F174-G188 PolarHBondContact N-O 3.25Å; F174-D228 HydrophobicContact CE2-CB 4.01Å; F174-F488 HydrophobicContact CD1-CD2 4.4Å; F174-F488 HydrophobicContact CD1-CE1 4.37Å; F174-F488 HydrophobicContact CD1-CE2 4.21Å; F174-F488 HydrophobicContact CD1-CZ 4.19Å; F174-F488 HydrophobicContact CE1-CE2 4.47Å; F174-F488 HydrophobicContact CE1-CZ 4.27Å; F174-F488 VanDerWaalsContact O-CB 3.28Å; F174-F488 WeakPolarHBondContact O-CB 3.44Å
175	I	97.3	Very high	95.1	Very high	22 Å²	22	42.1 Å²	42.1	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148	-165.3	57.1	-174.2	0	0	0	112.5	S187 G188 V229 L232 E489	I175-S187 CarbonylContact O-C 3.45Å; I175-S187 VanDerWaalsContact O-CA 3.23Å; I175-S187 WeakPolarHBondContact O-CA 3.4Å; I175-G188 PolarHBondContact N-O 3.07Å; I175-G188 PolarHBondContact O-N 2.97Å; I175-V229 HydrophobicContact CD1-CG1 4.32Å; I175-L232 HydrophobicContact CB-CG 4.44Å; I175-L232 HydrophobicContact CD1-CB 3.97Å; I175-L232 HydrophobicContact CD1-CD2 3.71Å; I175-L232 HydrophobicContact CD1-CG 3.55Å; I175-L232 HydrophobicContact CG1-CD2 3.67Å; I175-L232 HydrophobicContact CG1-CG 3.88Å; I175-E489 WeakPolarHBondContact CA-OE2 3.2Å; I175-E489 WeakPolarHBondContact CB-OE2 3.2Å; I175-E489 WeakPolarHBondContact CG2-OE2 3.36Å
176	C	98.6	Very high	95.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	142.8	168.8	63.8	0	0	0	0	112.7	L185 A186 E489 C491	C176-L185 HydrophobicContact CB-CD1 4.11Å; C176-A186 CarbonylContact C-O 3.51Å; C176-A186 WeakPolarHBondContact CA-O 3.38Å; C176-A186 WeakPolarHBondContact CB-O 3.43Å; C176-E489 PolarHBondContact N-OE2 3.2Å; C176-C491 PolarHBondContact O-SG 3.13Å; C176-C491 VanDerWaalsContact SG-SG 3.65Å
177	A	98.8	Very high	95.4	Very high	21 Å²	21	39.1 Å²	39.1	17%	0.174	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	131.2	179.5	0	0	0	0	0	111.8	A186 L232 W234	A177-A186 PolarHBondContact N-O 2.86Å; A177-A186 PolarHBondContact O-N 2.87Å; A177-L232 HydrophobicContact CB-CD1 3.49Å; A177-L232 VanDerWaalsContact CB-CD1 3.49Å; A177-W234 PolarHBondContact O-NE1 2.85Å; A177-W234 VanDerWaalsContact O-NE1 3.15Å
178	W	98.7	Very high	95.6	Very high	18 Å²	18	32.1 Å²	32.1	7%	0.068	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	143.7	172.7	-71.4	92.2	0	0	0	111.4	D183 L185 L199 C491 W492 N493 K498 V510	W178-D183 HydrophobicContact CZ3-CB 3.87Å; W178-L185 HydrophobicContact CD2-CB 4.34Å; W178-L185 HydrophobicContact CD2-CD1 4.02Å; W178-L185 HydrophobicContact CE3-CB 4.25Å; W178-L185 HydrophobicContact CG-CD1 3.98Å; W178-L185 HydrophobicContact CZ3-CB 4.4Å; W178-L199 HydrophobicContact CH2-CB 4.3Å; W178-L199 HydrophobicContact CH2-CD1 3.3Å; W178-L199 HydrophobicContact CH2-CG 4.43Å; W178-L199 HydrophobicContact CZ2-CD1 4.11Å; W178-L199 HydrophobicContact CZ3-CB 4.27Å; W178-L199 HydrophobicContact CZ3-CD1 3.61Å; W178-C491 PolarHBondContact NE1-O 2.95Å; W178-W492 VanDerWaalsContact CD1-O 3.24Å; W178-N493 HydrophobicContact CB-CB 4.36Å; W178-N493 VanDerWaalsContact CD1-N 3.33Å; W178-N493 HydrophobicContact CD2-CB 3.48Å; W178-N493 VanDerWaalsContact CD2-CB 3.48Å; W178-N493 HydrophobicContact CE3-CB 3.69Å; W178-N493 VanDerWaalsContact CG-CA 3.48Å; W178-N493 HydrophobicContact CG-CB 3.79Å; W178-N493 HydrophobicContact CH2-CB 4.34Å; W178-N493 HydrophobicContact CZ2-CB 4.2Å; W178-N493 HydrophobicContact CZ3-CB 4.12Å; W178-K498 HydrophobicContact CH2-CB 4.09Å; W178-K498 HydrophobicContact CH2-CD 3.98Å; W178-K498 HydrophobicContact CZ2-CB 3.84Å; W178-V510 HydrophobicContact CH2-CG1 3.98Å; W178-V510 HydrophobicContact CZ2-CG1 3.94Å; W178-V510 HydrophobicContact CZ2-CG2 4.47Å
179	N	98.5	Very high	95.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.169	C	C	.	.			trans	-65	137.1	168.4	-177.7	-77	0	0	0	109.6	V181 S182 L184 W234 G238	N179-V181 PolarHBondContact O-N 3.49Å; N179-V181 WeakPolarHBondContact OD1-CG2 3.15Å; N179-V181 PolarHBondContact OD1-N 2.9Å; N179-V181 VanDerWaalsContact OD1-N 3.08Å; N179-S182 VanDerWaalsContact O-O 3.06Å; N179-S182 PolarHBondContact OD1-N 3.27Å; N179-S182 PolarHBondContact OD1-OG 3.38Å; N179-L184 HydrophobicContact CB-CB 3.76Å; N179-L184 WeakPolarHBondContact CB-O 3.43Å; N179-L184 PolarHBondContact N-O 3.38Å; N179-W234 HydrophobicContact CB-CD2 4.25Å; N179-W234 HydrophobicContact CB-CZ2 4.18Å; N179-W234 VanDerWaalsContact ND2-CE3 3.34Å; N179-W234 VanDerWaalsContact ND2-CZ3 3.34Å; N179-W234 WeakPolarHBondContact ND2-CZ3 3.35Å; N179-G238 VanDerWaalsContact ND2-CA 3.32Å; N179-G238 WeakPolarHBondContact ND2-CA 3.24Å; N179-G238 PolarHBondContact ND2-O 3.49Å
180	P	97.6	Very high	95.5	Very high	56 Å²	56	30.7 Å²	30.7	36%	0.364	17%	0.172	S	C	.	.	S	Bend	trans	-72.2	-15.1	-171.8	26.8	-35.3	0	0	0	114.3	N235 A494	P180-N235 WeakPolarHBondContact CG-O 3.46Å; P180-A494 WeakPolarHBondContact O-CB 3.02Å
181	V	96.8	Very high	95.4	Very high	97 Å²	97	23.5 Å²	23.5	59%	0.588	14%	0.139	S	C	*	.	S	Bend	trans	-121.3	-5.2	-173.6	-59.5	0	0	0	0	113.9	N179 E237	N179-V181 PolarHBondContact O-N 3.49Å; N179-V181 WeakPolarHBondContact OD1-CG2 3.15Å; N179-V181 PolarHBondContact OD1-N 2.9Å; N179-V181 VanDerWaalsContact OD1-N 3.08Å; V181-E237 WeakPolarHBondContact CG2-O 3.46Å
182	S	95.1	Very high	95.5	Very high	46 Å²	46	22.4 Å²	22.4	32%	0.322	13%	0.132	S	C	.	.	S	Bend	trans	-154.5	160.5	-177.2	57.9	0	0	0	0	111.7	N179 L184	N179-S182 VanDerWaalsContact O-O 3.06Å; N179-S182 PolarHBondContact OD1-N 3.27Å; N179-S182 PolarHBondContact OD1-OG 3.38Å; S182-L184 PolarHBondContact O-N 3.07Å
183	D	95.4	Very high	95.8	Very high	35 Å²	35	20.5 Å²	20.5	19%	0.187	12%	0.123	C	C	.	.	S	Bend	trans	-77.2	54.8	174.9	-80.2	-6.3	0	0	0	111.2	W178 L199 N493 K498	W178-D183 HydrophobicContact CZ3-CB 3.87Å; D183-L199 HydrophobicContact CB-CB 4.43Å; D183-L199 WeakPolarHBondContact O-CA 3.33Å; D183-L199 WeakPolarHBondContact O-CB 3.25Å; D183-L199 PolarHBondContact O-N 2.57Å; D183-N493 PolarHBondContact OD1-ND2 2.87Å; D183-K498 IonicContact OD2-NZ 3.92Å; D183-K498 PolarHBondContact OD2-NZ 3.46Å
184	L	97.4	Very high	95.9	Very high	23 Å²	23	20.5 Å²	20.5	12%	0.12	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.6	164.9	-60.4	179.3	0	0	0	108.2	N179 S182 I196 W197 N198 K255	N179-L184 HydrophobicContact CB-CB 3.76Å; N179-L184 WeakPolarHBondContact CB-O 3.43Å; N179-L184 PolarHBondContact N-O 3.38Å; S182-L184 PolarHBondContact O-N 3.07Å; L184-I196 HydrophobicContact CB-CG2 4.15Å; L184-I196 HydrophobicContact CD1-CG2 4.33Å; L184-I196 HydrophobicContact CD2-CG2 4.45Å; L184-W197 WeakPolarHBondContact CA-O 3.36Å; L184-N198 HydrophobicContact CD2-CB 3.78Å; L184-K255 HydrophobicContact CD1-CB 4.48Å
185	L	98.4	Very high	96.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.1	172.9	-178.5	59.3	0	0	0	108.6	C176 W178 I196 W197 L199 V508 V510	C176-L185 HydrophobicContact CB-CD1 4.11Å; W178-L185 HydrophobicContact CD2-CB 4.34Å; W178-L185 HydrophobicContact CD2-CD1 4.02Å; W178-L185 HydrophobicContact CE3-CB 4.25Å; W178-L185 HydrophobicContact CG-CD1 3.98Å; W178-L185 HydrophobicContact CZ3-CB 4.4Å; L185-I196 CarbonylContact O-C 3.53Å; L185-I196 WeakPolarHBondContact O-CA 3.48Å; L185-W197 HydrophobicContact CB-CB 4.31Å; L185-W197 PolarHBondContact N-O 2.81Å; L185-W197 PolarHBondContact O-N 3.09Å; L185-L199 HydrophobicContact CB-CD1 3.78Å; L185-L199 HydrophobicContact CD2-CD1 4.35Å; L185-V508 HydrophobicContact CD2-CG1 3.57Å; L185-V510 HydrophobicContact CD2-CG2 3.85Å
186	A	98.7	Very high	96.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.9	167.2	0	0	0	0	0	109.7	C176 A177 R195 L232 W234 L241	C176-A186 CarbonylContact C-O 3.51Å; C176-A186 WeakPolarHBondContact CA-O 3.38Å; C176-A186 WeakPolarHBondContact CB-O 3.43Å; A177-A186 PolarHBondContact N-O 2.86Å; A177-A186 PolarHBondContact O-N 2.87Å; A186-R195 CarbonylContact C-O 3.52Å; A186-R195 VanDerWaalsContact CA-O 3.23Å; A186-R195 WeakPolarHBondContact CA-O 3.18Å; A186-L232 HydrophobicContact CB-CD1 4.1Å; A186-L232 HydrophobicContact CB-CD2 4.28Å; A186-W234 HydrophobicContact CB-CZ2 3.92Å; A186-L241 HydrophobicContact CB-CD1 3.96Å; A186-L241 HydrophobicContact CB-CD2 3.91Å
187	S	98.7	Very high	96.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.8	169.9	61.9	0	0	0	0	111.8	H169 I175 A194 R195 W197 L232	H169-S187 PolarHBondContact NE2-OG 3.1Å; I175-S187 CarbonylContact O-C 3.45Å; I175-S187 VanDerWaalsContact O-CA 3.23Å; I175-S187 WeakPolarHBondContact O-CA 3.4Å; S187-A194 CarbonylContact O-C 3.56Å; S187-A194 WeakPolarHBondContact O-CA 3.5Å; S187-A194 WeakPolarHBondContact O-CB 3.48Å; S187-R195 PolarHBondContact N-O 2.86Å; S187-R195 PolarHBondContact O-N 3.45Å; S187-W197 PolarHBondContact OG-NE1 3.33Å; S187-L232 VanDerWaalsContact C-CD2 3.49Å
188	G	97.7	Very high	96	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.8	178.1	0	0	0	0	0	111.2	V173 F174 I175	V173-G188 CarbonylContact C-O 3.47Å; V173-G188 VanDerWaalsContact CG1-O 3.26Å; V173-G188 WeakPolarHBondContact CG1-O 3.45Å; F174-G188 PolarHBondContact N-O 3.25Å; I175-G188 PolarHBondContact N-O 3.07Å; I175-G188 PolarHBondContact O-N 2.97Å
189	S	95.1	Very high	95.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	160.2	-169.4	173.9	0	0	0	0	113.4	H169 S171 E172 D191 S192 T193 V229	H169-S189 VanDerWaalsContact CE1-CB 3.41Å; H169-S189 WeakPolarHBondContact CE1-CB 3.33Å; H169-S189 WeakPolarHBondContact ND1-CB 3.47Å; S171-S189 PolarHBondContact O-OG 2.64Å; E172-S189 VanDerWaalsContact O-CA 3.22Å; E172-S189 WeakPolarHBondContact O-CA 3.34Å; E172-S189 VanDerWaalsContact O-CB 3.26Å; E172-S189 WeakPolarHBondContact O-CB 3.23Å; E172-S189 PolarHBondContact O-OG 2.93Å; S189-D191 WeakPolarHBondContact CB-OD1 3.21Å; S189-D191 PolarHBondContact O-N 2.85Å; S189-D191 PolarHBondContact OG-N 3.17Å; S189-D191 VanDerWaalsContact OG-N 3.14Å; S189-D191 PolarHBondContact OG-OD1 2.65Å; S189-S192 PolarHBondContact O-N 2.93Å; S189-T193 PolarHBondContact N-O 3.49Å; S189-T193 VanDerWaalsContact N-O 3.17Å; S189-V229 PolarHBondContact O-N 2.89Å
190	G	86.5	Confident	94.9	Very high	14 Å²	14	21 Å²	21	14%	0.144	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.6	166.6	0	0	0	0	0	114.1	E172 S192	E172-G190 PolarHBondContact O-N 2.84Å; G190-S192 PolarHBondContact O-N 2.95Å; G190-S192 VanDerWaalsContact O-N 3.09Å
191	D	88.5	Confident	93.6	Very high	24 Å²	24	24.3 Å²	24.3	13%	0.128	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	10.3	174.7	75.7	2.5	0	0	0	114.4	H169 E170 S189 T193 R195	H169-D191 WeakPolarHBondContact CA-OD2 3.09Å; H169-D191 IonicContact CE1-OD1 2.75Å; H169-D191 IonicContact CG-OD2 3.29Å; H169-D191 IonicContact ND1-OD1 2.69Å; H169-D191 PolarHBondContact ND1-OD1 2.67Å; H169-D191 IonicContact ND1-OD2 3.94Å; H169-D191 PolarHBondContact ND1-OD2 2.84Å; E170-D191 HydrophobicContact CB-CB 4.05Å; E170-D191 PolarHBondContact N-OD2 2.57Å; S189-D191 WeakPolarHBondContact CB-OD1 3.21Å; S189-D191 PolarHBondContact O-N 2.85Å; S189-D191 PolarHBondContact OG-N 3.17Å; S189-D191 VanDerWaalsContact OG-N 3.14Å; S189-D191 PolarHBondContact OG-OD1 2.65Å; D191-T193 VanDerWaalsContact CG-OG1 3.24Å; D191-T193 PolarHBondContact O-N 3.28Å; D191-T193 WeakPolarHBondContact OD1-CA 3.29Å; D191-T193 VanDerWaalsContact OD1-CB 3.29Å; D191-T193 WeakPolarHBondContact OD1-CB 3.41Å; D191-T193 PolarHBondContact OD1-N 3.22Å; D191-T193 PolarHBondContact OD1-OG1 3.33Å; D191-T193 PolarHBondContact OD2-OG1 2.78Å; D191-R195 IonicContact OD2-NH2 2.78Å
192	S	90.8	Very high	91.7	Very high	15 Å²	15	27 Å²	27	11%	0.105	15%	0.151	C	C	.	.	S	Bend	trans	61.8	20.8	-175.6	72.2	0	0	0	0	115	S189 G190 H214 K227	S189-S192 PolarHBondContact O-N 2.93Å; G190-S192 PolarHBondContact O-N 2.95Å; G190-S192 VanDerWaalsContact O-N 3.09Å; S192-H214 WeakPolarHBondContact O-CB 3.47Å; S192-H214 PolarHBondContact O-N 2.8Å; S192-K227 WeakPolarHBondContact CA-O 3.28Å; S192-K227 WeakPolarHBondContact CB-O 3.38Å
193	T	95.5	Very high	89.6	Confident	4 Å²	4	26.8 Å²	26.8	3%	0.025	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.5	173.8	75.4	0	0	0	0	111.8	H169 S189 D191 R195 V211 L212 R213 V229	H169-T193 PolarHBondContact CE1-O 3.3Å; H169-T193 PolarHBondContact CE1-OG1 2.99Å; H169-T193 PolarHBondContact ND1-OG1 2.93Å; S189-T193 PolarHBondContact N-O 3.49Å; S189-T193 VanDerWaalsContact N-O 3.17Å; D191-T193 VanDerWaalsContact CG-OG1 3.24Å; D191-T193 PolarHBondContact O-N 3.28Å; D191-T193 WeakPolarHBondContact OD1-CA 3.29Å; D191-T193 VanDerWaalsContact OD1-CB 3.29Å; D191-T193 WeakPolarHBondContact OD1-CB 3.41Å; D191-T193 PolarHBondContact OD1-N 3.22Å; D191-T193 PolarHBondContact OD1-OG1 3.33Å; D191-T193 PolarHBondContact OD2-OG1 2.78Å; T193-R195 PolarHBondContact OG1-NE 3.26Å; T193-V211 HydrophobicContact CG2-CG1 3.92Å; T193-L212 WeakPolarHBondContact CA-O 3.41Å; T193-R213 HydrophobicContact CG2-CG 4.3Å; T193-V229 WeakPolarHBondContact O-CG2 3.5Å
194	A	98	Very high	87.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	154.3	152.7	0	0	0	0	0	108.6	S187 L212 V229 T243	S187-A194 CarbonylContact O-C 3.56Å; S187-A194 WeakPolarHBondContact O-CA 3.5Å; S187-A194 WeakPolarHBondContact O-CB 3.48Å; A194-L212 HydrophobicContact CB-CB 4.09Å; A194-L212 HydrophobicContact CB-CD2 4.36Å; A194-L212 PolarHBondContact N-O 2.87Å; A194-L212 WeakPolarHBondContact O-CA 3.36Å; A194-L212 WeakPolarHBondContact O-CB 3.2Å; A194-L212 PolarHBondContact O-N 3.18Å; A194-V229 HydrophobicContact CB-CG1 4.48Å; A194-T243 HydrophobicContact CB-CG2 4.13Å
195	R	98.3	Very high	84.6	Confident	14 Å²	14	34.5 Å²	34.5	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.5	176.1	-63.7	-177.8	-173	-128.2	-1	110.5	G168 H169 A186 S187 D191 T193 W197 Q209 L210 V211	G168-R195 VanDerWaalsContact C-NH2 3.27Å; G168-R195 PolarHBondContact O-NH1 2.99Å; G168-R195 PolarHBondContact O-NH2 3.49Å; H169-R195 PolarHBondContact ND1-NE 2.98Å; A186-R195 CarbonylContact C-O 3.52Å; A186-R195 VanDerWaalsContact CA-O 3.23Å; A186-R195 WeakPolarHBondContact CA-O 3.18Å; S187-R195 PolarHBondContact N-O 2.86Å; S187-R195 PolarHBondContact O-N 3.45Å; D191-R195 IonicContact OD2-NH2 2.78Å; T193-R195 PolarHBondContact OG1-NE 3.26Å; R195-W197 HydrophobicContact CB-CZ2 3.92Å; R195-W197 HydrophobicContact CG-CZ2 4.4Å; R195-Q209 VanDerWaalsContact NH1-CD 3.27Å; R195-L210 WeakPolarHBondContact CA-O 3.3Å; R195-V211 HydrophobicContact CG-CG2 4.47Å
196	I	98.3	Very high	82.5	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.4	171	-57.3	170.7	0	0	0	107.3	L184 L185 L210 L212 W234 L241 K255	L184-I196 HydrophobicContact CB-CG2 4.15Å; L184-I196 HydrophobicContact CD1-CG2 4.33Å; L184-I196 HydrophobicContact CD2-CG2 4.45Å; L185-I196 CarbonylContact O-C 3.53Å; L185-I196 WeakPolarHBondContact O-CA 3.48Å; I196-L210 HydrophobicContact CB-CB 4.2Å; I196-L210 HydrophobicContact CB-CD1 4.29Å; I196-L210 PolarHBondContact N-O 3.27Å; I196-L210 PolarHBondContact O-N 3.17Å; I196-L212 HydrophobicContact CD1-CD1 4.06Å; I196-L212 HydrophobicContact CD1-CD2 4.03Å; I196-L212 HydrophobicContact CG1-CD1 4.06Å; I196-L212 HydrophobicContact CG1-CD2 4.32Å; I196-W234 HydrophobicContact CD1-CH2 3.91Å; I196-W234 HydrophobicContact CD1-CZ2 4.39Å; I196-W234 HydrophobicContact CG1-CH2 4.38Å; I196-W234 HydrophobicContact CG1-CZ2 4.37Å; I196-W234 HydrophobicContact CG2-CH2 4.49Å; I196-W234 HydrophobicContact CG2-CZ2 4.44Å; I196-L241 HydrophobicContact CD1-CD2 4.41Å; I196-L241 HydrophobicContact CG1-CD2 4.35Å; I196-K255 WeakPolarHBondContact CD1-O 3.23Å
197	W	97.1	Very high	80.7	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.9	-177.9	-44.7	92	0	0	0	109	L166 H169 L184 L185 S187 R195 L199 Q209 V508	L166-W197 HydrophobicContact CB-CD2 4.16Å; L166-W197 HydrophobicContact CB-CE3 3.74Å; L166-W197 HydrophobicContact CB-CH2 3.91Å; L166-W197 HydrophobicContact CB-CZ2 4.38Å; L166-W197 HydrophobicContact CB-CZ3 3.58Å; L166-W197 HydrophobicContact CD1-CB 3.79Å; L166-W197 HydrophobicContact CD1-CD2 3.66Å; L166-W197 HydrophobicContact CD1-CE3 3.82Å; L166-W197 HydrophobicContact CD1-CG 3.65Å; L166-W197 HydrophobicContact CD2-CE3 4.32Å; L166-W197 HydrophobicContact CG-CD2 4.46Å; L166-W197 HydrophobicContact CG-CE3 4.18Å; L166-W197 HydrophobicContact CG-CZ3 4.49Å; H169-W197 AromaticContact CD2-CZ2 3.91Å; L184-W197 WeakPolarHBondContact CA-O 3.36Å; L185-W197 HydrophobicContact CB-CB 4.31Å; L185-W197 PolarHBondContact N-O 2.81Å; L185-W197 PolarHBondContact O-N 3.09Å; S187-W197 PolarHBondContact OG-NE1 3.33Å; R195-W197 HydrophobicContact CB-CZ2 3.92Å; R195-W197 HydrophobicContact CG-CZ2 4.4Å; W197-L199 HydrophobicContact CB-CG 4.46Å; W197-Q209 HydrophobicContact CE3-CB 4.33Å; W197-Q209 HydrophobicContact CE3-CG 4.04Å; W197-Q209 HydrophobicContact CZ3-CG 3.98Å; W197-V508 HydrophobicContact CZ2-CB 4.46Å; W197-V508 HydrophobicContact CZ2-CG2 4.15Å
198	N	94.3	Very high	79.5	Confident	43 Å²	43	44.9 Å²	44.9	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117	174.5	-172.2	-12.8	0	0	0	110.8	L184 S200 S207 T208	L184-N198 HydrophobicContact CD2-CB 3.78Å; N198-S200 WeakPolarHBondContact OD1-CB 3.46Å; N198-S200 PolarHBondContact OD1-N 3.19Å; N198-S200 PolarHBondContact OD1-OG 2.95Å; N198-S207 WeakPolarHBondContact O-CB 3.44Å; N198-T208 WeakPolarHBondContact CB-OG1 3.04Å; N198-T208 PolarHBondContact N-O 2.87Å
199	L	91.9	Very high	79.2	Confident	18 Å²	18	48.3 Å²	48.3	9%	0.094	29%	0.287	C	S	.	.			trans	-118.2	16.5	-175.5	-57.3	164.6	0	0	0	111.7	M164 L166 W178 D183 L185 W197 E201 V510	M164-L199 HydrophobicContact SD-CD2 3.73Å; L166-L199 HydrophobicContact CD1-CD2 4.14Å; L166-L199 HydrophobicContact CD2-CD2 4.19Å; W178-L199 HydrophobicContact CH2-CB 4.3Å; W178-L199 HydrophobicContact CH2-CD1 3.3Å; W178-L199 HydrophobicContact CH2-CG 4.43Å; W178-L199 HydrophobicContact CZ2-CD1 4.11Å; W178-L199 HydrophobicContact CZ3-CB 4.27Å; W178-L199 HydrophobicContact CZ3-CD1 3.61Å; D183-L199 HydrophobicContact CB-CB 4.43Å; D183-L199 WeakPolarHBondContact O-CA 3.33Å; D183-L199 WeakPolarHBondContact O-CB 3.25Å; D183-L199 PolarHBondContact O-N 2.57Å; L185-L199 HydrophobicContact CB-CD1 3.78Å; L185-L199 HydrophobicContact CD2-CD1 4.35Å; W197-L199 HydrophobicContact CB-CG 4.46Å; L199-E201 PolarHBondContact O-N 3.38Å; L199-V510 HydrophobicContact CD1-CB 4.41Å; L199-V510 HydrophobicContact CD1-CG1 4.16Å; L199-V510 HydrophobicContact CD1-CG2 3.48Å; L199-V510 VanDerWaalsContact CD1-CG2 3.48Å; L199-V510 HydrophobicContact CD2-CG2 4.24Å
200	S	83.4	Confident	79.2	Confident	45 Å²	45	51.3 Å²	51.3	32%	0.315	30%	0.303	S	S	.	.			trans	-67.7	130.8	175.1	62.5	0	0	0	0	111.3	N198 N202 S203	N198-S200 WeakPolarHBondContact OD1-CB 3.46Å; N198-S200 PolarHBondContact OD1-N 3.19Å; N198-S200 PolarHBondContact OD1-OG 2.95Å; S200-N202 PolarHBondContact O-N 2.94Å; S200-S203 PolarHBondContact O-N 2.79Å; S200-S203 PolarHBondContact O-OG 3.04Å
201	E	69.4	Low	79.6	Confident	127 Å²	127	53 Å²	53	59%	0.593	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.8	-173.7	-62.5	-177	167.1	0	0	114.4	L199 S203 R514	L199-E201 PolarHBondContact O-N 3.38Å; E201-S203 VanDerWaalsContact C-N 3.33Å; E201-R514 IonicContact OE1-CZ 2.73Å; E201-R514 IonicContact OE1-NH1 3.63Å; E201-R514 PolarHBondContact OE1-NH1 3.35Å; E201-R514 IonicContact OE1-NH2 3.67Å; E201-R514 PolarHBondContact OE1-NH2 3.17Å; E201-R514 IonicContact OE2-NH1 3.3Å
202	N	57.3	Low	80	Confident	154 Å²	154	52 Å²	52	82%	0.824	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.4	-179.4	-71.6	-18.1	0	0	0	113.6	S200 T204	S200-N202 PolarHBondContact O-N 2.94Å; N202-T204 PolarHBondContact O-N 2.79Å
203	S	51.5	Low	80.1	Confident	41 Å²	41	58.9 Å²	58.9	29%	0.287	33%	0.328	S	S	.	.			trans	-81	104	174.6	68.3	0	0	0	0	110.4	S200 E201 S205	S200-S203 PolarHBondContact O-N 2.79Å; S200-S203 PolarHBondContact O-OG 3.04Å; E201-S203 VanDerWaalsContact C-N 3.33Å; S203-S205 PolarHBondContact O-N 3.42Å; S203-S205 VanDerWaalsContact O-N 3.09Å; S203-S205 PolarHBondContact OG-O 2.95Å
204	T	44.4	Very low	79.8	Confident	155 Å²	155	58.7 Å²	58.7	95%	0.951	33%	0.327	S	S	*	.	S	Bend	trans	-69.7	4.9	174.3	44.8	0	0	0	0	114.1	N202	N202-T204 PolarHBondContact O-N 2.79Å
205	S	43.7	Very low	79	Confident	65 Å²	65	60.2 Å²	60.2	46%	0.455	34%	0.337	S	S	.	.	S	Bend	trans	-118.5	152	173.9	64.7	0	0	0	0	110.1	S203 S207	S203-S205 PolarHBondContact O-N 3.42Å; S203-S205 VanDerWaalsContact O-N 3.09Å; S203-S205 PolarHBondContact OG-O 2.95Å; S205-S207 PolarHBondContact O-N 2.96Å
206	S	53.9	Low	77.9	Confident	106 Å²	106	62 Å²	62	74%	0.741	35%	0.348	S	S	*	.	S	Bend	trans	-29.6	135.2	164.5	52.7	0	0	0	0	112.7	T208	S206-T208 PolarHBondContact O-N 3.25Å
207	S	60.3	Low	76.5	Confident	43 Å²	43	71.9 Å²	71.9	30%	0.301	39%	0.385	S	S	.	.			trans	-37.2	115.4	178.6	58.2	0	0	0	0	110.8	N198 S205 Q209	N198-S207 WeakPolarHBondContact O-CB 3.44Å; S205-S207 PolarHBondContact O-N 2.96Å; S207-Q209 PolarHBondContact O-N 3.41Å
208	T	74.5	Confident	75.1	Confident	68 Å²	68	77.9 Å²	77.9	42%	0.417	41%	0.413	S	S	.	.			trans	-72.3	128.7	178.2	48.3	0	0	0	0	108.4	N198 S206	N198-T208 WeakPolarHBondContact CB-OG1 3.04Å; N198-T208 PolarHBondContact N-O 2.87Å; S206-T208 PolarHBondContact O-N 3.25Å
209	Q	89.7	Confident	73.8	Confident	72 Å²	72	80.1 Å²	80.1	34%	0.336	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.9	-175.5	177.4	-174.2	54.3	0	0	108.9	R195 W197 S207 V211	R195-Q209 VanDerWaalsContact NH1-CD 3.27Å; W197-Q209 HydrophobicContact CE3-CB 4.33Å; W197-Q209 HydrophobicContact CE3-CG 4.04Å; W197-Q209 HydrophobicContact CZ3-CG 3.98Å; S207-Q209 PolarHBondContact O-N 3.41Å; Q209-V211 HydrophobicContact CG-CG2 4.22Å
210	L	95.3	Very high	72.7	Confident	64 Å²	64	82.8 Å²	82.8	34%	0.335	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134	169	-56	173.4	0	0	0	108.7	R195 I196 L212 D256	R195-L210 WeakPolarHBondContact CA-O 3.3Å; I196-L210 HydrophobicContact CB-CB 4.2Å; I196-L210 HydrophobicContact CB-CD1 4.29Å; I196-L210 PolarHBondContact N-O 3.27Å; I196-L210 PolarHBondContact O-N 3.17Å; L210-L212 HydrophobicContact CB-CD1 4.07Å; L210-D256 VanDerWaalsContact CD1-C 3.49Å
211	V	95.9	Very high	72	Confident	50 Å²	50	87.7 Å²	87.7	30%	0.303	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.6	179.8	-175.8	0	0	0	0	109.3	T193 R195 Q209 R213	T193-V211 HydrophobicContact CG2-CG1 3.92Å; R195-V211 HydrophobicContact CG-CG2 4.47Å; Q209-V211 HydrophobicContact CG-CG2 4.22Å; V211-R213 HydrophobicContact CG1-CG 4.06Å; V211-R213 PolarHBondContact O-N 2.93Å
212	L	95.8	Very high	72	Confident	1 Å²	1	86.7 Å²	86.7	1%	0.005	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	90.6	-178.7	-71.8	60	0	0	0	108.1	T193 A194 I196 L210 H214 L241 W253	T193-L212 WeakPolarHBondContact CA-O 3.41Å; A194-L212 HydrophobicContact CB-CB 4.09Å; A194-L212 HydrophobicContact CB-CD2 4.36Å; A194-L212 PolarHBondContact N-O 2.87Å; A194-L212 WeakPolarHBondContact O-CA 3.36Å; A194-L212 WeakPolarHBondContact O-CB 3.2Å; A194-L212 PolarHBondContact O-N 3.18Å; I196-L212 HydrophobicContact CD1-CD1 4.06Å; I196-L212 HydrophobicContact CD1-CD2 4.03Å; I196-L212 HydrophobicContact CG1-CD1 4.06Å; I196-L212 HydrophobicContact CG1-CD2 4.32Å; L210-L212 HydrophobicContact CB-CD1 4.07Å; L212-H214 PolarHBondContact O-N 2.8Å; L212-H214 PolarHBondContact O-ND1 2.8Å; L212-H214 VanDerWaalsContact O-ND1 3.15Å; L212-L241 HydrophobicContact CD2-CD2 4.09Å; L212-W253 HydrophobicContact CB-CD2 4.07Å; L212-W253 HydrophobicContact CB-CE3 3.77Å; L212-W253 HydrophobicContact CB-CH2 4.04Å; L212-W253 HydrophobicContact CB-CZ2 4.28Å; L212-W253 HydrophobicContact CB-CZ3 3.75Å; L212-W253 HydrophobicContact CD2-CB 3.68Å; L212-W253 HydrophobicContact CD2-CD2 3.58Å; L212-W253 HydrophobicContact CD2-CE3 3.76Å; L212-W253 HydrophobicContact CD2-CG 3.55Å; L212-W253 HydrophobicContact CG-CD2 3.95Å; L212-W253 HydrophobicContact CG-CE3 3.59Å; L212-W253 HydrophobicContact CG-CG 4.4Å; L212-W253 HydrophobicContact CG-CZ3 4.04Å
213	R	93.5	Very high	72.7	Confident	160 Å²	160	81.7 Å²	81.7	60%	0.604	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.3	-178.6	-63.2	-175.1	-176.9	-79.4	-1	110.3	T193 V211 C215 W253	T193-R213 HydrophobicContact CG2-CG 4.3Å; V211-R213 HydrophobicContact CG1-CG 4.06Å; V211-R213 PolarHBondContact O-N 2.93Å; R213-C215 PolarHBondContact O-N 3.18Å; R213-C215 VanDerWaalsContact O-N 3.11Å; R213-W253 WeakPolarHBondContact O-CH2 3.26Å
214	H	90.5	Very high	73.6	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	48%	0.476	C	S	.	.			trans	-76.8	104.2	177.6	-71.6	49.9	0	0	0	108.7	S192 L212 S225 V229 T243 W253	S192-H214 WeakPolarHBondContact O-CB 3.47Å; S192-H214 PolarHBondContact O-N 2.8Å; L212-H214 PolarHBondContact O-N 2.8Å; L212-H214 PolarHBondContact O-ND1 2.8Å; L212-H214 VanDerWaalsContact O-ND1 3.15Å; H214-S225 WeakPolarHBondContact O-CB 3.47Å; H214-S225 PolarHBondContact O-N 3.3Å; H214-S225 PolarHBondContact O-OG 2.85Å; H214-V229 VanDerWaalsContact CE1-CG2 3.43Å; H214-V229 WeakPolarHBondContact CE1-CG2 3.35Å; H214-T243 WeakPolarHBondContact NE2-CB 3.49Å; H214-T243 PolarHBondContact NE2-OG1 2.78Å; H214-W253 AromaticContact CE1-CZ2 3.64Å; H214-W253 AromaticContact ND1-CZ2 3.78Å; H214-W253 AromaticContact NE2-CZ2 3.97Å
215	C	79.6	Confident	74.7	Confident	32 Å²	32	75.9 Å²	75.9	22%	0.216	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	157.4	175.9	-60.5	0	0	0	0	110.9	R213 D222 V223 R251	R213-C215 PolarHBondContact O-N 3.18Å; R213-C215 VanDerWaalsContact O-N 3.11Å; C215-D222 HydrophobicContact CB-CB 3.95Å; C215-V223 CarbonylContact C-O 3.47Å; C215-V223 WeakPolarHBondContact CA-O 3.48Å; C215-V223 VanDerWaalsContact CB-O 3.3Å; C215-V223 WeakPolarHBondContact CB-O 3.43Å; C215-R251 PolarHBondContact O-NE 2.88Å; C215-R251 PolarHBondContact O-NH2 3.12Å
216	I	74.8	Confident	76.1	Confident	53 Å²	53	78.4 Å²	78.4	27%	0.272	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150	167	55.8	170.4	0	0	0	108.8	V223 F249	I216-V223 PolarHBondContact N-O 2.59Å; I216-V223 PolarHBondContact O-N 3.48Å; I216-F249 HydrophobicContact CG2-CD2 4.08Å; I216-F249 HydrophobicContact CG2-CE2 3.87Å
217	R	69.6	Low	77.3	Confident	209 Å²	209	77.2 Å²	77.2	79%	0.789	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	113.9	174.6	-80.4	-175.2	174.8	-178.2	1.6	109.8	Q221 D222	R217-Q221 WeakPolarHBondContact CA-O 3.34Å; R217-D222 VanDerWaalsContact CG-OD1 3.23Å; R217-D222 WeakPolarHBondContact CG-OD1 3.29Å; R217-D222 IonicContact NE-OD1 3.63Å
218	E	67.7	Low	78.4	Confident	129 Å²	129	77.2 Å²	77.2	60%	0.603	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	121.6	174.9	-161.9	174	-168.2	0	0	108.9	G220 Q221 V223	E218-G220 PolarHBondContact O-N 3.35Å; E218-G220 VanDerWaalsContact O-N 3.07Å; E218-Q221 PolarHBondContact N-O 3.47Å; E218-Q221 PolarHBondContact O-N 3.25Å; E218-V223 HydrophobicContact CB-CG2 3.99Å
219	G	68	Low	79.3	Confident	90 Å²	90	74 Å²	74	93%	0.928	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	20.9	-178.8	0	0	0	0	0	115.5
220	G	68.6	Low	79.4	Confident	74 Å²	74	71.9 Å²	71.9	76%	0.763	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	5.4	-176.5	0	0	0	0	0	114.9	E218	E218-G220 PolarHBondContact O-N 3.35Å; E218-G220 VanDerWaalsContact O-N 3.07Å
221	Q	68.7	Low	79.4	Confident	149 Å²	149	69.3 Å²	69.3	70%	0.696	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	148.3	172.1	-64.7	-172.2	-5.3	0	0	110.8	R217 E218 V223	R217-Q221 WeakPolarHBondContact CA-O 3.34Å; E218-Q221 PolarHBondContact N-O 3.47Å; E218-Q221 PolarHBondContact O-N 3.25Å; Q221-V223 PolarHBondContact O-N 2.88Å
222	D	69.5	Low	79.5	Confident	105 Å²	105	67.9 Å²	67.9	56%	0.561	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	113	172.8	-70.5	-22.5	0	0	0	109	C215 R217	C215-D222 HydrophobicContact CB-CB 3.95Å; R217-D222 VanDerWaalsContact CG-OD1 3.23Å; R217-D222 WeakPolarHBondContact CG-OD1 3.29Å; R217-D222 IonicContact NE-OD1 3.63Å
223	V	72	Confident	79.7	Confident	49 Å²	49	70 Å²	70	30%	0.297	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.4	177	-173.6	0	0	0	0	108	C215 I216 E218 Q221 S225	C215-V223 CarbonylContact C-O 3.47Å; C215-V223 WeakPolarHBondContact CA-O 3.48Å; C215-V223 VanDerWaalsContact CB-O 3.3Å; C215-V223 WeakPolarHBondContact CB-O 3.43Å; I216-V223 PolarHBondContact N-O 2.59Å; I216-V223 PolarHBondContact O-N 3.48Å; E218-V223 HydrophobicContact CB-CG2 3.99Å; Q221-V223 PolarHBondContact O-N 2.88Å; V223-S225 PolarHBondContact O-N 3.43Å
224	P	69.2	Low	79.9	Confident	64 Å²	64	63 Å²	63	42%	0.416	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	134.5	174.3	-26.6	35.2	0	0	0	111.1	N226	P224-N226 WeakPolarHBondContact CB-OD1 3.37Å; P224-N226 PolarHBondContact O-N 3.02Å
225	S	69	Low	80.3	Confident	11 Å²	11	63.3 Å²	63.3	8%	0.077	36%	0.357	C	S	.	.			trans	-66.3	-25.3	177.2	79	0	0	0	0	110.8	H214 V223 K227 D247	H214-S225 WeakPolarHBondContact O-CB 3.47Å; H214-S225 PolarHBondContact O-N 3.3Å; H214-S225 PolarHBondContact O-OG 2.85Å; V223-S225 PolarHBondContact O-N 3.43Å; S225-K227 WeakPolarHBondContact O-CG 3.47Å; S225-K227 PolarHBondContact O-N 3.01Å; S225-K227 PolarHBondContact OG-N 3.33Å; S225-K227 VanDerWaalsContact OG-N 3.13Å; S225-K227 PolarHBondContact OG-O 3.29Å; S225-D247 VanDerWaalsContact CB-OD2 3.25Å; S225-D247 WeakPolarHBondContact CB-OD2 3.4Å
226	N	71.9	Confident	81.1	Confident	117 Å²	117	65.1 Å²	65.1	63%	0.626	37%	0.37	S	S	*	.			trans	50.8	33.7	-171.3	-60.5	-36.8	0	0	0	111.4	P224	P224-N226 WeakPolarHBondContact CB-OD1 3.37Å; P224-N226 PolarHBondContact O-N 3.02Å
227	K	78.6	Confident	82.2	Confident	82 Å²	82	69.2 Å²	69.2	36%	0.357	39%	0.388	S	S	.	.			trans	-128.6	139.4	-179.2	-68	-49.3	170.1	-165.4	0	110.2	S192 S225 Y246 D247	S192-K227 WeakPolarHBondContact CA-O 3.28Å; S192-K227 WeakPolarHBondContact CB-O 3.38Å; S225-K227 WeakPolarHBondContact O-CG 3.47Å; S225-K227 PolarHBondContact O-N 3.01Å; S225-K227 PolarHBondContact OG-N 3.33Å; S225-K227 VanDerWaalsContact OG-N 3.13Å; S225-K227 PolarHBondContact OG-O 3.29Å; K227-Y246 HydrophobicContact CD-CD1 4.14Å; K227-D247 HydrophobicContact CB-CB 3.95Å; K227-D247 HydrophobicContact CG-CB 3.82Å
228	D	85.1	Confident	83.6	Confident	42 Å²	42	59.3 Å²	59.3	23%	0.225	35%	0.351	C	S	.	.			trans	-56.2	143.3	-172.9	-49.3	16.7	0	0	0	111.6	F174 T230 S245 Y246	F174-D228 HydrophobicContact CE2-CB 4.01Å; D228-T230 HydrophobicContact CB-CG2 4.33Å; D228-T230 PolarHBondContact O-N 2.83Å; D228-S245 CarbonylContact O-C 3.56Å; D228-S245 WeakPolarHBondContact O-CA 3.44Å; D228-S245 WeakPolarHBondContact O-CB 3.38Å; D228-Y246 PolarHBondContact O-N 3.29Å
229	V	92.9	Very high	85	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.9	164.1	-174.4	0	0	0	0	107.5	I175 S189 T193 A194 H214 T243	I175-V229 HydrophobicContact CD1-CG1 4.32Å; S189-V229 PolarHBondContact O-N 2.89Å; T193-V229 WeakPolarHBondContact O-CG2 3.5Å; A194-V229 HydrophobicContact CB-CG1 4.48Å; H214-V229 VanDerWaalsContact CE1-CG2 3.43Å; H214-V229 WeakPolarHBondContact CE1-CG2 3.35Å; V229-T243 HydrophobicContact CG1-CG2 4.42Å
230	T	91.8	Very high	86.5	Confident	29 Å²	29	53.6 Å²	53.6	18%	0.178	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-26.1	-169.1	55.6	0	0	0	0	113	D228 G244 Y246 I270	D228-T230 HydrophobicContact CB-CG2 4.33Å; D228-T230 PolarHBondContact O-N 2.83Å; T230-G244 PolarHBondContact N-O 3.42Å; T230-G244 PolarHBondContact OG1-O 2.99Å; T230-G244 VanDerWaalsContact OG1-O 3.13Å; T230-Y246 HydrophobicContact CG2-CD2 4.2Å; T230-I270 VanDerWaalsContact CB-O 3.24Å; T230-I270 WeakPolarHBondContact CB-O 3.16Å; T230-I270 PolarHBondContact OG1-O 2.91Å
231	S	95.2	Very high	87.9	Confident	9 Å²	9	50 Å²	50	6%	0.063	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	150	-179.7	44.5	0	0	0	0	110.9	T243 G244 L273	S231-T243 CarbonylContact O-C 3.59Å; S231-T243 WeakPolarHBondContact O-CA 3.48Å; S231-G244 PolarHBondContact N-O 3.12Å; S231-G244 PolarHBondContact O-N 2.86Å; S231-L273 WeakPolarHBondContact O-CD2 3.49Å; S231-L273 WeakPolarHBondContact OG-CD2 3.47Å
232	L	98.5	Very high	89.4	Confident	20 Å²	20	43 Å²	43	11%	0.105	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	150.8	175.3	64.6	80.6	0	0	0	110.6	I175 A177 A186 S187 L241 A242 T243	I175-L232 HydrophobicContact CB-CG 4.44Å; I175-L232 HydrophobicContact CD1-CB 3.97Å; I175-L232 HydrophobicContact CD1-CD2 3.71Å; I175-L232 HydrophobicContact CD1-CG 3.55Å; I175-L232 HydrophobicContact CG1-CD2 3.67Å; I175-L232 HydrophobicContact CG1-CG 3.88Å; A177-L232 HydrophobicContact CB-CD1 3.49Å; A177-L232 VanDerWaalsContact CB-CD1 3.49Å; A186-L232 HydrophobicContact CB-CD1 4.1Å; A186-L232 HydrophobicContact CB-CD2 4.28Å; S187-L232 VanDerWaalsContact C-CD2 3.49Å; L232-L241 HydrophobicContact CB-CD1 4.26Å; L232-L241 HydrophobicContact CD1-CD1 4.21Å; L232-A242 CarbonylContact C-O 3.59Å; L232-A242 WeakPolarHBondContact CA-O 3.4Å; L232-T243 HydrophobicContact CB-CG2 4.08Å
233	D	98.8	Very high	90.7	Very high	45 Å²	45	38 Å²	38	24%	0.241	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	138.3	177	-168.3	30.2	0	0	0	111.7	A242 L273 K274 W275	D233-A242 PolarHBondContact N-O 2.78Å; D233-A242 PolarHBondContact O-N 2.74Å; D233-L273 HydrophobicContact CB-CD1 3.74Å; D233-K274 VanDerWaalsContact OD2-CA 3.31Å; D233-K274 WeakPolarHBondContact OD2-CA 3.34Å; D233-W275 VanDerWaalsContact O-CD1 3.25Å; D233-W275 PolarHBondContact O-NE1 3.18Å; D233-W275 PolarHBondContact OD2-N 2.95Å
234	W	98.8	Very high	91.9	Very high	14 Å²	14	35.7 Å²	35.7	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.9	175.2	-74.1	103	0	0	0	110.2	A177 N179 A186 I196 L241 K255 W275	A177-W234 PolarHBondContact O-NE1 2.85Å; A177-W234 VanDerWaalsContact O-NE1 3.15Å; N179-W234 HydrophobicContact CB-CD2 4.25Å; N179-W234 HydrophobicContact CB-CZ2 4.18Å; N179-W234 VanDerWaalsContact ND2-CE3 3.34Å; N179-W234 VanDerWaalsContact ND2-CZ3 3.34Å; N179-W234 WeakPolarHBondContact ND2-CZ3 3.35Å; A186-W234 HydrophobicContact CB-CZ2 3.92Å; I196-W234 HydrophobicContact CD1-CH2 3.91Å; I196-W234 HydrophobicContact CD1-CZ2 4.39Å; I196-W234 HydrophobicContact CG1-CH2 4.38Å; I196-W234 HydrophobicContact CG1-CZ2 4.37Å; I196-W234 HydrophobicContact CG2-CH2 4.49Å; I196-W234 HydrophobicContact CG2-CZ2 4.44Å; W234-L241 HydrophobicContact CD2-CB 4.26Å; W234-L241 HydrophobicContact CD2-CD1 3.82Å; W234-L241 HydrophobicContact CE3-CB 3.93Å; W234-L241 HydrophobicContact CE3-CD1 4.35Å; W234-L241 HydrophobicContact CG-CD1 4.03Å; W234-L241 HydrophobicContact CH2-CB 4.15Å; W234-L241 HydrophobicContact CZ2-CB 4.46Å; W234-L241 HydrophobicContact CZ2-CD1 4.32Å; W234-L241 HydrophobicContact CZ3-CB 3.86Å; W234-K255 HydrophobicContact CH2-CB 3.99Å; W234-K255 HydrophobicContact CZ3-CB 3.81Å; W234-W275 VanDerWaalsContact C-CD1 3.44Å
235	N	98.5	Very high	92.9	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	18%	0.175	C	C	.	.			trans	-66.1	158.8	165.6	74.9	-18.4	0	0	0	110.3	P180 E237 G238 T239 L240 W275	P180-N235 WeakPolarHBondContact CG-O 3.46Å; N235-E237 PolarHBondContact O-N 2.66Å; N235-G238 PolarHBondContact O-N 2.81Å; N235-G238 WeakPolarHBondContact OD1-CA 3.47Å; N235-G238 PolarHBondContact OD1-N 3.03Å; N235-T239 PolarHBondContact ND2-OG1 2.75Å; N235-T239 PolarHBondContact OD1-N 2.68Å; N235-T239 PolarHBondContact OD1-OG1 3.19Å; N235-L240 PolarHBondContact N-O 3.07Å; N235-L240 PolarHBondContact OD1-N 2.73Å; N235-L240 PolarHBondContact OD1-O 3.29Å; N235-W275 HydrophobicContact CB-CD2 3.68Å; N235-W275 HydrophobicContact CB-CE3 3.97Å; N235-W275 HydrophobicContact CB-CG 4Å; N235-W275 HydrophobicContact CB-CH2 4.42Å; N235-W275 HydrophobicContact CB-CZ2 4.19Å; N235-W275 HydrophobicContact CB-CZ3 4.32Å
236	S	97.1	Very high	93.7	Very high	70 Å²	70	35.3 Å²	35.3	49%	0.49	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.2	-174.4	-54.8	0	0	0	0	114.7	K277	S236-K277 PolarHBondContact OG-O 3.14Å
237	E	97.8	Very high	94.3	Very high	138 Å²	138	30.7 Å²	30.7	65%	0.645	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.7	175.3	-61.9	-177.4	170.4	0	0	113.3	V181 N235 T239	V181-E237 WeakPolarHBondContact CG2-O 3.46Å; N235-E237 PolarHBondContact O-N 2.66Å; E237-T239 HydrophobicContact CB-CG2 4.09Å; E237-T239 PolarHBondContact O-N 2.9Å
238	G	97.9	Very high	94.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	14%	0.142	C	C	.	.	S	Bend	trans	64.1	21.2	-175.9	0	0	0	0	0	114	N179 N235	N179-G238 VanDerWaalsContact ND2-CA 3.32Å; N179-G238 WeakPolarHBondContact ND2-CA 3.24Å; N179-G238 PolarHBondContact ND2-O 3.49Å; N235-G238 PolarHBondContact O-N 2.81Å; N235-G238 WeakPolarHBondContact OD1-CA 3.47Å; N235-G238 PolarHBondContact OD1-N 3.03Å
239	T	98.1	Very high	95.1	Very high	52 Å²	52	26.9 Å²	26.9	32%	0.319	14%	0.141	S	C	.	.	S	Bend	trans	-89.8	-28.7	179.5	50.4	0	0	0	0	112.1	N235 E237 K255	N235-T239 PolarHBondContact ND2-OG1 2.75Å; N235-T239 PolarHBondContact OD1-N 2.68Å; N235-T239 PolarHBondContact OD1-OG1 3.19Å; E237-T239 HydrophobicContact CB-CG2 4.09Å; E237-T239 PolarHBondContact O-N 2.9Å; T239-K255 PolarHBondContact O-N 3.46Å
240	L	98.4	Very high	95.3	Very high	47 Å²	47	27 Å²	27	25%	0.246	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.8	-175.8	-60	173.4	0	0	0	111	N235 I252 W253 T254 W275	N235-L240 PolarHBondContact N-O 3.07Å; N235-L240 PolarHBondContact OD1-N 2.73Å; N235-L240 PolarHBondContact OD1-O 3.29Å; L240-I252 HydrophobicContact CB-CG2 4.03Å; L240-I252 HydrophobicContact CD1-CG2 4.12Å; L240-I252 HydrophobicContact CD2-CG2 4.02Å; L240-I252 HydrophobicContact CG-CG2 4.28Å; L240-W253 CarbonylContact C-O 3.51Å; L240-W253 VanDerWaalsContact CA-O 3.23Å; L240-W253 WeakPolarHBondContact CA-O 3.09Å; L240-T254 HydrophobicContact CD2-CG2 4.34Å; L240-W275 HydrophobicContact CB-CH2 4.19Å; L240-W275 HydrophobicContact CB-CZ2 3.88Å; L240-W275 HydrophobicContact CD1-CH2 3.95Å; L240-W275 HydrophobicContact CD1-CZ2 4.48Å
241	L	98.8	Very high	95.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.3	172.4	178.9	69.5	0	0	0	108.3	A186 I196 L212 L232 W234 T243 I252 W253	A186-L241 HydrophobicContact CB-CD1 3.96Å; A186-L241 HydrophobicContact CB-CD2 3.91Å; I196-L241 HydrophobicContact CD1-CD2 4.41Å; I196-L241 HydrophobicContact CG1-CD2 4.35Å; L212-L241 HydrophobicContact CD2-CD2 4.09Å; L232-L241 HydrophobicContact CB-CD1 4.26Å; L232-L241 HydrophobicContact CD1-CD1 4.21Å; W234-L241 HydrophobicContact CD2-CB 4.26Å; W234-L241 HydrophobicContact CD2-CD1 3.82Å; W234-L241 HydrophobicContact CE3-CB 3.93Å; W234-L241 HydrophobicContact CE3-CD1 4.35Å; W234-L241 HydrophobicContact CG-CD1 4.03Å; W234-L241 HydrophobicContact CH2-CB 4.15Å; W234-L241 HydrophobicContact CZ2-CB 4.46Å; W234-L241 HydrophobicContact CZ2-CD1 4.32Å; W234-L241 HydrophobicContact CZ3-CB 3.86Å; L241-T243 HydrophobicContact CD2-CG2 4.19Å; L241-T243 HydrophobicContact CG-CG2 4.2Å; L241-I252 CarbonylContact O-C 3.56Å; L241-W253 HydrophobicContact CB-CB 4.39Å; L241-W253 PolarHBondContact N-O 3.25Å; L241-W253 PolarHBondContact O-N 3.13Å
242	A	98.6	Very high	95.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	142	168.7	0	0	0	0	0	109.4	L232 D233 R251 L273 W275 I282	L232-A242 CarbonylContact C-O 3.59Å; L232-A242 WeakPolarHBondContact CA-O 3.4Å; D233-A242 PolarHBondContact N-O 2.78Å; D233-A242 PolarHBondContact O-N 2.74Å; A242-R251 CarbonylContact C-O 3.59Å; A242-R251 VanDerWaalsContact CA-O 3.27Å; A242-R251 WeakPolarHBondContact CA-O 3.36Å; A242-L273 HydrophobicContact CB-CD1 3.49Å; A242-L273 VanDerWaalsContact CB-CD1 3.49Å; A242-W275 HydrophobicContact CB-CZ2 4.06Å; A242-I282 HydrophobicContact CB-CD1 3.79Å; A242-I282 HydrophobicContact CB-CG1 4.32Å
243	T	98.4	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.5	174.2	65.9	0	0	0	0	110.7	A194 H214 V229 S231 L232 L241 A250 R251 W253	A194-T243 HydrophobicContact CB-CG2 4.13Å; H214-T243 WeakPolarHBondContact NE2-CB 3.49Å; H214-T243 PolarHBondContact NE2-OG1 2.78Å; V229-T243 HydrophobicContact CG1-CG2 4.42Å; S231-T243 CarbonylContact O-C 3.59Å; S231-T243 WeakPolarHBondContact O-CA 3.48Å; L232-T243 HydrophobicContact CB-CG2 4.08Å; L241-T243 HydrophobicContact CD2-CG2 4.19Å; L241-T243 HydrophobicContact CG-CG2 4.2Å; T243-A250 CarbonylContact O-C 3.55Å; T243-A250 WeakPolarHBondContact O-CA 3.03Å; T243-R251 PolarHBondContact N-O 3.13Å; T243-R251 PolarHBondContact O-N 3.19Å; T243-W253 PolarHBondContact OG1-NE1 3.08Å
244	G	96.3	Very high	95.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.4	177.7	0	0	0	0	0	107.2	T230 S231 L273	T230-G244 PolarHBondContact N-O 3.42Å; T230-G244 PolarHBondContact OG1-O 2.99Å; T230-G244 VanDerWaalsContact OG1-O 3.13Å; S231-G244 PolarHBondContact N-O 3.12Å; S231-G244 PolarHBondContact O-N 2.86Å; G244-L273 VanDerWaalsContact CA-CD2 3.47Å
245	S	91.4	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	165.5	-174.2	42.7	0	0	0	0	112.6	D228 D247 G248 F249 R251 I270	D228-S245 CarbonylContact O-C 3.56Å; D228-S245 WeakPolarHBondContact O-CA 3.44Å; D228-S245 WeakPolarHBondContact O-CB 3.38Å; S245-D247 WeakPolarHBondContact CB-OD1 3.13Å; S245-D247 PolarHBondContact O-N 3.43Å; S245-D247 VanDerWaalsContact OG-CG 3.29Å; S245-D247 PolarHBondContact OG-OD1 3.21Å; S245-G248 WeakPolarHBondContact O-CA 3.46Å; S245-G248 PolarHBondContact O-N 3.29Å; S245-F249 PolarHBondContact N-O 3.29Å; S245-F249 PolarHBondContact OG-O 3.01Å; S245-R251 PolarHBondContact OG-NH1 2.72Å; S245-I270 PolarHBondContact O-N 2.8Å
246	Y	85.6	Confident	95.3	Very high	67 Å²	67	32.5 Å²	32.5	26%	0.263	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-20	-178.8	-161.1	-82.8	0	0	0	112.7	F26 K227 D228 T230 G248 P269	F26-Y246 WeakPolarHBondContact CD2-OH 3.43Å; F26-Y246 WeakPolarHBondContact CE2-OH 3.47Å; K227-Y246 HydrophobicContact CD-CD1 4.14Å; D228-Y246 PolarHBondContact O-N 3.29Å; T230-Y246 HydrophobicContact CG2-CD2 4.2Å; Y246-G248 PolarHBondContact O-N 2.81Å; Y246-P269 HydrophobicContact CD1-CG 3.68Å; Y246-P269 HydrophobicContact CD2-CB 3.92Å; Y246-P269 HydrophobicContact CD2-CG 3.57Å; Y246-P269 HydrophobicContact CE1-CG 3.67Å; Y246-P269 HydrophobicContact CE2-CB 4.2Å; Y246-P269 HydrophobicContact CE2-CG 3.55Å; Y246-P269 HydrophobicContact CG-CB 4.17Å; Y246-P269 HydrophobicContact CG-CG 3.64Å; Y246-P269 WeakPolarHBondContact O-CA 3.34Å; Y246-P269 WeakPolarHBondContact O-CD 3.41Å; Y246-P269 WeakPolarHBondContact O-CG 3.39Å
247	D	83.7	Confident	95.2	Very high	20 Å²	20	30 Å²	30	11%	0.107	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.3	169	63.7	9.5	0	0	0	113.4	S225 K227 S245 F249 R251 Q265	S225-D247 VanDerWaalsContact CB-OD2 3.25Å; S225-D247 WeakPolarHBondContact CB-OD2 3.4Å; K227-D247 HydrophobicContact CB-CB 3.95Å; K227-D247 HydrophobicContact CG-CB 3.82Å; S245-D247 WeakPolarHBondContact CB-OD1 3.13Å; S245-D247 PolarHBondContact O-N 3.43Å; S245-D247 VanDerWaalsContact OG-CG 3.29Å; S245-D247 PolarHBondContact OG-OD1 3.21Å; D247-F249 HydrophobicContact CB-CD2 4.19Å; D247-F249 WeakPolarHBondContact OD1-CB 3.18Å; D247-F249 PolarHBondContact OD1-N 2.82Å; D247-R251 IonicContact OD1-NH1 3.86Å; D247-R251 IonicContact OD2-CZ 3.47Å; D247-R251 IonicContact OD2-NH1 3.66Å; D247-R251 PolarHBondContact OD2-NH1 2.97Å; D247-R251 IonicContact OD2-NH2 2.85Å; D247-R251 PolarHBondContact OD2-NH2 3.29Å; D247-Q265 PolarHBondContact O-NE2 3.01Å
248	G	88.5	Confident	95.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	87.4	-2.1	-178.8	0	0	0	0	0	115.1	S245 Y246 Q265 H266 G268 I270	S245-G248 WeakPolarHBondContact O-CA 3.46Å; S245-G248 PolarHBondContact O-N 3.29Å; Y246-G248 PolarHBondContact O-N 2.81Å; G248-Q265 CarbonylContact O-C 3.57Å; G248-Q265 VanDerWaalsContact O-CA 3.27Å; G248-Q265 WeakPolarHBondContact O-CA 3.35Å; G248-H266 PolarHBondContact O-N 3.43Å; G248-G268 WeakPolarHBondContact CA-O 3.44Å; G248-I270 WeakPolarHBondContact O-CD1 3.26Å
249	F	92.8	Very high	95	Very high	45 Å²	45	32 Å²	32	20%	0.197	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	134.8	-179.4	-77.5	-81.3	0	0	0	112.7	I216 S245 D247 R251 T262 G264 Q265	I216-F249 HydrophobicContact CG2-CD2 4.08Å; I216-F249 HydrophobicContact CG2-CE2 3.87Å; S245-F249 PolarHBondContact N-O 3.29Å; S245-F249 PolarHBondContact OG-O 3.01Å; D247-F249 HydrophobicContact CB-CD2 4.19Å; D247-F249 WeakPolarHBondContact OD1-CB 3.18Å; D247-F249 PolarHBondContact OD1-N 2.82Å; F249-R251 VanDerWaalsContact CB-NH1 3.27Å; F249-T262 HydrophobicContact CD1-CG2 3.53Å; F249-T262 HydrophobicContact CE1-CG2 4.08Å; F249-T262 HydrophobicContact CG-CG2 4.31Å; F249-G264 WeakPolarHBondContact CA-O 3.33Å; F249-G264 WeakPolarHBondContact CD1-O 3.42Å; F249-Q265 HydrophobicContact CD1-CB 3.92Å; F249-Q265 HydrophobicContact CD2-CG 4.3Å; F249-Q265 HydrophobicContact CE1-CB 3.79Å; F249-Q265 HydrophobicContact CE1-CG 4.41Å; F249-Q265 HydrophobicContact CE2-CB 4.45Å; F249-Q265 HydrophobicContact CE2-CG 4.2Å; F249-Q265 HydrophobicContact CG-CB 4.31Å; F249-Q265 HydrophobicContact CG-CG 4.45Å; F249-Q265 HydrophobicContact CZ-CB 4.07Å; F249-Q265 HydrophobicContact CZ-CG 4.25Å
250	A	95.9	Very high	94.8	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.5	163.7	0	0	0	0	0	110	T243 L263 G264 I270	T243-A250 CarbonylContact O-C 3.55Å; T243-A250 WeakPolarHBondContact O-CA 3.03Å; A250-L263 HydrophobicContact CB-CB 4.33Å; A250-L263 HydrophobicContact CB-CD1 3.91Å; A250-L263 HydrophobicContact CB-CG 4.39Å; A250-L263 PolarHBondContact O-N 3.38Å; A250-G264 PolarHBondContact N-O 2.91Å; A250-G264 VanDerWaalsContact N-O 3.16Å; A250-I270 HydrophobicContact CB-CD1 3.91Å
251	R	96.5	Very high	94.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.7	-178.3	-65.8	178.6	-175.5	78.1	-4.6	110.5	C215 A242 T243 S245 D247 F249 W253 L259 S261 T262	C215-R251 PolarHBondContact O-NE 2.88Å; C215-R251 PolarHBondContact O-NH2 3.12Å; A242-R251 CarbonylContact C-O 3.59Å; A242-R251 VanDerWaalsContact CA-O 3.27Å; A242-R251 WeakPolarHBondContact CA-O 3.36Å; T243-R251 PolarHBondContact N-O 3.13Å; T243-R251 PolarHBondContact O-N 3.19Å; S245-R251 PolarHBondContact OG-NH1 2.72Å; D247-R251 IonicContact OD1-NH1 3.86Å; D247-R251 IonicContact OD2-CZ 3.47Å; D247-R251 IonicContact OD2-NH1 3.66Å; D247-R251 PolarHBondContact OD2-NH1 2.97Å; D247-R251 IonicContact OD2-NH2 2.85Å; D247-R251 PolarHBondContact OD2-NH2 3.29Å; F249-R251 VanDerWaalsContact CB-NH1 3.27Å; R251-W253 HydrophobicContact CB-CZ2 4.3Å; R251-L259 HydrophobicContact CB-CD1 3.87Å; R251-L259 HydrophobicContact CG-CD1 4.16Å; R251-S261 CarbonylContact C-O 3.59Å; R251-S261 WeakPolarHBondContact CA-O 3.23Å; R251-T262 HydrophobicContact CG-CG2 4.25Å
252	I	97.9	Very high	94.3	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.3	172.1	-58.6	-178.8	0	0	0	108.3	L240 L241 A260 S261 L263 W275 I282 A296	L240-I252 HydrophobicContact CB-CG2 4.03Å; L240-I252 HydrophobicContact CD1-CG2 4.12Å; L240-I252 HydrophobicContact CD2-CG2 4.02Å; L240-I252 HydrophobicContact CG-CG2 4.28Å; L241-I252 CarbonylContact O-C 3.56Å; I252-A260 HydrophobicContact CG2-CB 4.26Å; I252-A260 WeakPolarHBondContact O-CA 3.33Å; I252-A260 WeakPolarHBondContact O-CB 3.23Å; I252-A260 PolarHBondContact O-N 3.01Å; I252-S261 PolarHBondContact N-O 2.85Å; I252-S261 PolarHBondContact O-N 3.08Å; I252-S261 VanDerWaalsContact O-N 3.14Å; I252-L263 HydrophobicContact CD1-CD1 4.27Å; I252-L263 HydrophobicContact CD1-CD2 3.67Å; I252-L263 HydrophobicContact CD1-CG 4.39Å; I252-L263 HydrophobicContact CG1-CD1 4.16Å; I252-L263 HydrophobicContact CG1-CD2 3.99Å; I252-L263 HydrophobicContact CG1-CG 4.25Å; I252-W275 HydrophobicContact CD1-CH2 3.96Å; I252-W275 HydrophobicContact CD1-CZ2 4.33Å; I252-W275 HydrophobicContact CG1-CZ2 4.42Å; I252-W275 HydrophobicContact CG2-CH2 4.39Å; I252-W275 HydrophobicContact CG2-CZ2 4.23Å; I252-I282 HydrophobicContact CD1-CD1 3.53Å; I252-I282 HydrophobicContact CG1-CD1 3.63Å; I252-A296 HydrophobicContact CD1-CB 4.01Å
253	W	98.1	Very high	93.8	Very high	11 Å²	11	35.7 Å²	35.7	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.6	179.2	-51.1	82.4	0	0	0	109.7	L212 R213 H214 L240 L241 T243 R251 N258 L259	L212-W253 HydrophobicContact CB-CD2 4.07Å; L212-W253 HydrophobicContact CB-CE3 3.77Å; L212-W253 HydrophobicContact CB-CH2 4.04Å; L212-W253 HydrophobicContact CB-CZ2 4.28Å; L212-W253 HydrophobicContact CB-CZ3 3.75Å; L212-W253 HydrophobicContact CD2-CB 3.68Å; L212-W253 HydrophobicContact CD2-CD2 3.58Å; L212-W253 HydrophobicContact CD2-CE3 3.76Å; L212-W253 HydrophobicContact CD2-CG 3.55Å; L212-W253 HydrophobicContact CG-CD2 3.95Å; L212-W253 HydrophobicContact CG-CE3 3.59Å; L212-W253 HydrophobicContact CG-CG 4.4Å; L212-W253 HydrophobicContact CG-CZ3 4.04Å; R213-W253 WeakPolarHBondContact O-CH2 3.26Å; H214-W253 AromaticContact CE1-CZ2 3.64Å; H214-W253 AromaticContact ND1-CZ2 3.78Å; H214-W253 AromaticContact NE2-CZ2 3.97Å; L240-W253 CarbonylContact C-O 3.51Å; L240-W253 VanDerWaalsContact CA-O 3.23Å; L240-W253 WeakPolarHBondContact CA-O 3.09Å; L241-W253 HydrophobicContact CB-CB 4.39Å; L241-W253 PolarHBondContact N-O 3.25Å; L241-W253 PolarHBondContact O-N 3.13Å; T243-W253 PolarHBondContact OG1-NE1 3.08Å; R251-W253 HydrophobicContact CB-CZ2 4.3Å; W253-N258 CarbonylContact C-O 3.54Å; W253-N258 WeakPolarHBondContact CA-O 3.19Å; W253-L259 HydrophobicContact CD2-CB 4.48Å; W253-L259 HydrophobicContact CD2-CD1 3.97Å; W253-L259 HydrophobicContact CE3-CB 3.81Å; W253-L259 HydrophobicContact CE3-CD1 4.12Å; W253-L259 HydrophobicContact CH2-CB 4.22Å; W253-L259 HydrophobicContact CH2-CD1 4.03Å; W253-L259 HydrophobicContact CZ2-CD1 3.92Å; W253-L259 HydrophobicContact CZ3-CB 3.66Å; W253-L259 HydrophobicContact CZ3-CD1 4.15Å; W253-L259 HydrophobicContact CZ3-CG 4.41Å
254	T	98.1	Very high	92.9	Very high	34 Å²	34	36.6 Å²	36.6	21%	0.209	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	154.1	165.9	62	0	0	0	0	110	L240 D256 G257 N258 A260	L240-T254 HydrophobicContact CD2-CG2 4.34Å; T254-D256 PolarHBondContact O-N 3.04Å; T254-D256 VanDerWaalsContact O-N 3.08Å; T254-G257 PolarHBondContact O-N 2.87Å; T254-N258 PolarHBondContact N-O 3.46Å; T254-N258 WeakPolarHBondContact OG1-CB 3.22Å; T254-N258 PolarHBondContact OG1-N 3.13Å; T254-N258 PolarHBondContact OG1-O 3.11Å; T254-A260 HydrophobicContact CG2-CB 4.24Å
255	K	96.6	Very high	92.4	Very high	85 Å²	85	41.8 Å²	41.8	37%	0.37	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.9	172.3	69.2	176.6	-176.4	178.3	0	114	L184 I196 W234 T239 G257	L184-K255 HydrophobicContact CD1-CB 4.48Å; I196-K255 WeakPolarHBondContact CD1-O 3.23Å; W234-K255 HydrophobicContact CH2-CB 3.99Å; W234-K255 HydrophobicContact CZ3-CB 3.81Å; T239-K255 PolarHBondContact O-N 3.46Å; K255-G257 PolarHBondContact O-N 2.65Å
256	D	95.5	Very high	92.4	Very high	103 Å²	103	41.8 Å²	41.8	55%	0.551	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	5.8	176.6	-52.2	-51	0	0	0	112.6	L210 T254	L210-D256 VanDerWaalsContact CD1-C 3.49Å; T254-D256 PolarHBondContact O-N 3.04Å; T254-D256 VanDerWaalsContact O-N 3.08Å
257	G	95.1	Very high	92.4	Very high	17 Å²	17	47.3 Å²	47.3	18%	0.175	26%	0.257	C	S	.	.	S	Bend	trans	88	3.8	171.9	0	0	0	0	0	115.6	T254 K255	T254-G257 PolarHBondContact O-N 2.87Å; K255-G257 PolarHBondContact O-N 2.65Å
258	N	95.6	Very high	92.4	Very high	102 Å²	102	47.5 Å²	47.5	55%	0.545	26%	0.264	S	S	.	.			trans	-83.7	136.7	177	-54.6	-68	0	0	0	111.4	W253 T254 A260	W253-N258 CarbonylContact C-O 3.54Å; W253-N258 WeakPolarHBondContact CA-O 3.19Å; T254-N258 PolarHBondContact N-O 3.46Å; T254-N258 WeakPolarHBondContact OG1-CB 3.22Å; T254-N258 PolarHBondContact OG1-N 3.13Å; T254-N258 PolarHBondContact OG1-O 3.11Å; N258-A260 PolarHBondContact O-N 3.08Å
259	L	95.1	Very high	92.4	Very high	79 Å²	79	48 Å²	48	41%	0.414	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	113.5	171	-178.9	63.4	0	0	0	109.6	R251 W253	R251-L259 HydrophobicContact CB-CD1 3.87Å; R251-L259 HydrophobicContact CG-CD1 4.16Å; W253-L259 HydrophobicContact CD2-CB 4.48Å; W253-L259 HydrophobicContact CD2-CD1 3.97Å; W253-L259 HydrophobicContact CE3-CB 3.81Å; W253-L259 HydrophobicContact CE3-CD1 4.12Å; W253-L259 HydrophobicContact CH2-CB 4.22Å; W253-L259 HydrophobicContact CH2-CD1 4.03Å; W253-L259 HydrophobicContact CZ2-CD1 3.92Å; W253-L259 HydrophobicContact CZ3-CB 3.66Å; W253-L259 HydrophobicContact CZ3-CD1 4.15Å; W253-L259 HydrophobicContact CZ3-CG 4.41Å
260	A	94.2	Very high	92.4	Very high	61 Å²	61	45.8 Å²	45.8	50%	0.504	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-42.9	179.7	0	0	0	0	0	111.9	I252 T254 N258	I252-A260 HydrophobicContact CG2-CB 4.26Å; I252-A260 WeakPolarHBondContact O-CA 3.33Å; I252-A260 WeakPolarHBondContact O-CB 3.23Å; I252-A260 PolarHBondContact O-N 3.01Å; T254-A260 HydrophobicContact CG2-CB 4.24Å; N258-A260 PolarHBondContact O-N 3.08Å
261	S	93.3	Very high	92.2	Very high	37 Å²	37	49 Å²	49	26%	0.259	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	147.3	-178.9	-172.4	0	0	0	0	111.9	R251 I252	R251-S261 CarbonylContact C-O 3.59Å; R251-S261 WeakPolarHBondContact CA-O 3.23Å; I252-S261 PolarHBondContact N-O 2.85Å; I252-S261 PolarHBondContact O-N 3.08Å; I252-S261 VanDerWaalsContact O-N 3.14Å
262	T	92.8	Very high	92.1	Very high	63 Å²	63	49.4 Å²	49.4	39%	0.387	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.9	164.8	-57.4	0	0	0	0	106.5	F249 R251	F249-T262 HydrophobicContact CD1-CG2 3.53Å; F249-T262 HydrophobicContact CE1-CG2 4.08Å; F249-T262 HydrophobicContact CG-CG2 4.31Å; R251-T262 HydrophobicContact CG-CG2 4.25Å
263	L	87.9	Confident	92.1	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.089	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-49.9	-165.8	-53.7	177.1	0	0	0	112.2	A250 I252 I282 W294 G299	A250-L263 HydrophobicContact CB-CB 4.33Å; A250-L263 HydrophobicContact CB-CD1 3.91Å; A250-L263 HydrophobicContact CB-CG 4.39Å; A250-L263 PolarHBondContact O-N 3.38Å; I252-L263 HydrophobicContact CD1-CD1 4.27Å; I252-L263 HydrophobicContact CD1-CD2 3.67Å; I252-L263 HydrophobicContact CD1-CG 4.39Å; I252-L263 HydrophobicContact CG1-CD1 4.16Å; I252-L263 HydrophobicContact CG1-CD2 3.99Å; I252-L263 HydrophobicContact CG1-CG 4.25Å; L263-I282 HydrophobicContact CD1-CD1 3.75Å; L263-W294 HydrophobicContact CB-CD2 4.02Å; L263-W294 HydrophobicContact CB-CE3 3.67Å; L263-W294 HydrophobicContact CB-CG 4.43Å; L263-W294 HydrophobicContact CB-CZ3 4.19Å; L263-W294 HydrophobicContact CD1-CB 3.79Å; L263-W294 HydrophobicContact CD1-CD2 4.26Å; L263-W294 HydrophobicContact CD1-CG 3.85Å; L263-G299 CarbonylContact C-O 3.33Å; L263-G299 WeakPolarHBondContact CA-O 3.32Å; L263-G299 WeakPolarHBondContact CB-O 3.46Å; L263-G299 VanDerWaalsContact CD2-CA 3.46Å
264	G	80.2	Confident	92.2	Very high	20 Å²	20	51 Å²	51	21%	0.206	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-169.5	-175.3	0	0	0	0	0	109.7	F249 A250	F249-G264 WeakPolarHBondContact CA-O 3.33Å; F249-G264 WeakPolarHBondContact CD1-O 3.42Å; A250-G264 PolarHBondContact N-O 2.91Å; A250-G264 VanDerWaalsContact N-O 3.16Å
265	Q	86.1	Confident	92.2	Very high	108 Å²	108	50 Å²	50	51%	0.505	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.6	-165.6	-176.9	174.6	23.8	0	0	111.8	D247 G248 F249	D247-Q265 PolarHBondContact O-NE2 3.01Å; G248-Q265 CarbonylContact O-C 3.57Å; G248-Q265 VanDerWaalsContact O-CA 3.27Å; G248-Q265 WeakPolarHBondContact O-CA 3.35Å; F249-Q265 HydrophobicContact CD1-CB 3.92Å; F249-Q265 HydrophobicContact CD2-CG 4.3Å; F249-Q265 HydrophobicContact CE1-CB 3.79Å; F249-Q265 HydrophobicContact CE1-CG 4.41Å; F249-Q265 HydrophobicContact CE2-CB 4.45Å; F249-Q265 HydrophobicContact CE2-CG 4.2Å; F249-Q265 HydrophobicContact CG-CB 4.31Å; F249-Q265 HydrophobicContact CG-CG 4.45Å; F249-Q265 HydrophobicContact CZ-CB 4.07Å; F249-Q265 HydrophobicContact CZ-CG 4.25Å
266	H	90.7	Very high	92.3	Very high	1 Å²	1	46 Å²	46	1%	0.005	26%	0.257	C	S	.	.			trans	-70.4	154.1	158.7	-84.3	-91.7	0	0	0	110.6	G248 G268 I270 S284 D288 T290	G248-H266 PolarHBondContact O-N 3.43Å; H266-G268 WeakPolarHBondContact CB-O 3.17Å; H266-G268 PolarHBondContact O-N 2.95Å; H266-I270 HydrophobicContact CB-CG1 4.21Å; H266-S284 PolarHBondContact CD2-OG 3.26Å; H266-S284 PolarHBondContact NE2-OG 3.14Å; H266-D288 WeakPolarHBondContact CA-OD2 3.33Å; H266-D288 IonicContact CE1-OD1 3.45Å; H266-D288 IonicContact CG-OD2 2.83Å; H266-D288 IonicContact ND1-OD1 3.57Å; H266-D288 PolarHBondContact ND1-OD1 3.39Å; H266-D288 VanDerWaalsContact ND1-OD1 3.07Å; H266-D288 IonicContact ND1-OD2 3.81Å; H266-D288 PolarHBondContact ND1-OD2 3.23Å; H266-D288 VanDerWaalsContact ND1-OD2 3.12Å; H266-T290 PolarHBondContact CE1-O 3.25Å
267	K	85.6	Confident	92.4	Very high	182 Å²	182	49.5 Å²	49.5	79%	0.791	27%	0.267	S	S	*	.	S	Bend	trans	-76.3	76.7	174.3	-64	178.3	-177.6	175.1	0	110.5	D288	K267-D288 HydrophobicContact CB-CB 3.79Å; K267-D288 PolarHBondContact N-OD2 2.82Å
268	G	84.9	Confident	92.5	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	29%	0.29	C	S	.	.	S	Bend	trans	104.3	-170.2	-174	0	0	0	0	0	112.4	G248 H266	G248-G268 WeakPolarHBondContact CA-O 3.44Å; H266-G268 WeakPolarHBondContact CB-O 3.17Å; H266-G268 PolarHBondContact O-N 2.95Å
269	P	87.4	Confident	92.6	Very high	10 Å²	10	51.8 Å²	51.8	7%	0.065	27%	0.273	C	S	.	.			trans	-48.9	139.5	-171.8	-31.6	31.8	0	0	0	116.1	Y246 F271 G286 V287	Y246-P269 HydrophobicContact CD1-CG 3.68Å; Y246-P269 HydrophobicContact CD2-CB 3.92Å; Y246-P269 HydrophobicContact CD2-CG 3.57Å; Y246-P269 HydrophobicContact CE1-CG 3.67Å; Y246-P269 HydrophobicContact CE2-CB 4.2Å; Y246-P269 HydrophobicContact CE2-CG 3.55Å; Y246-P269 HydrophobicContact CG-CB 4.17Å; Y246-P269 HydrophobicContact CG-CG 3.64Å; Y246-P269 WeakPolarHBondContact O-CA 3.34Å; Y246-P269 WeakPolarHBondContact O-CD 3.41Å; Y246-P269 WeakPolarHBondContact O-CG 3.39Å; P269-F271 HydrophobicContact CB-CE1 4.06Å; P269-F271 HydrophobicContact CB-CZ 4.41Å; P269-G286 WeakPolarHBondContact O-CA 3.33Å; P269-V287 HydrophobicContact CG-CG1 4.49Å; P269-V287 PolarHBondContact O-N 3.44Å
270	I	92.3	Very high	92.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132	160.6	-65.1	177.2	0	0	0	107.9	T230 S245 G248 A250 H266 A272 A285	T230-I270 VanDerWaalsContact CB-O 3.24Å; T230-I270 WeakPolarHBondContact CB-O 3.16Å; T230-I270 PolarHBondContact OG1-O 2.91Å; S245-I270 PolarHBondContact O-N 2.8Å; G248-I270 WeakPolarHBondContact O-CD1 3.26Å; A250-I270 HydrophobicContact CB-CD1 3.91Å; H266-I270 HydrophobicContact CB-CG1 4.21Å; I270-A272 WeakPolarHBondContact CG2-O 3.32Å; I270-A285 CarbonylContact C-O 3.51Å; I270-A285 WeakPolarHBondContact CA-O 3.17Å
271	F	91.8	Very high	92.9	Very high	69 Å²	69	47 Å²	47	30%	0.303	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-35.7	176.6	-68.1	-45.9	0	0	0	113.2	P269 A285 V287 P311 A312 L313	P269-F271 HydrophobicContact CB-CE1 4.06Å; P269-F271 HydrophobicContact CB-CZ 4.41Å; F271-A285 PolarHBondContact N-O 2.58Å; F271-V287 HydrophobicContact CE2-CB 3.66Å; F271-V287 HydrophobicContact CE2-CG2 3.92Å; F271-V287 HydrophobicContact CZ-CB 3.9Å; F271-V287 HydrophobicContact CZ-CG2 3.99Å; F271-P311 HydrophobicContact CE2-CB 4.04Å; F271-A312 WeakPolarHBondContact CD2-O 3.13Å; F271-L313 HydrophobicContact CD2-CD2 4.05Å; F271-L313 HydrophobicContact CE2-CD2 4.26Å
272	A	95.5	Very high	93.2	Very high	10 Å²	10	45.2 Å²	45.2	8%	0.083	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.6	178.2	0	0	0	0	0	110.6	I270 S284 A285 V315	I270-A272 WeakPolarHBondContact CG2-O 3.32Å; A272-S284 CarbonylContact O-C 3.56Å; A272-S284 VanDerWaalsContact O-CA 3.23Å; A272-S284 WeakPolarHBondContact O-CA 3.26Å; A272-A285 HydrophobicContact CB-CB 4.32Å; A272-A285 PolarHBondContact O-N 3.46Å; A272-V315 HydrophobicContact CB-CG2 3.86Å
273	L	98	Very high	93.5	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.8	169.5	77.2	93	0	0	0	110.7	S231 D233 A242 G244 L283	S231-L273 WeakPolarHBondContact O-CD2 3.49Å; S231-L273 WeakPolarHBondContact OG-CD2 3.47Å; D233-L273 HydrophobicContact CB-CD1 3.74Å; A242-L273 HydrophobicContact CB-CD1 3.49Å; A242-L273 VanDerWaalsContact CB-CD1 3.49Å; G244-L273 VanDerWaalsContact CA-CD2 3.47Å; L273-L283 CarbonylContact C-O 3.56Å; L273-L283 WeakPolarHBondContact CA-O 3.26Å
274	K	98.8	Very high	94	Very high	40 Å²	40	41.4 Å²	41.4	17%	0.174	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	139.3	177	-69.6	-172.7	-179.5	153.8	0	113.2	D233 I282 L283 D314 V315 D316 W317	D233-K274 VanDerWaalsContact OD2-CA 3.31Å; D233-K274 WeakPolarHBondContact OD2-CA 3.34Å; K274-I282 WeakPolarHBondContact O-CA 3.48Å; K274-L283 PolarHBondContact N-O 2.68Å; K274-L283 PolarHBondContact O-N 3.44Å; K274-D314 IonicContact NZ-OD1 3.84Å; K274-V315 WeakPolarHBondContact CD-O 3.4Å; K274-V315 WeakPolarHBondContact CE-O 3.29Å; K274-V315 PolarHBondContact NZ-O 3.04Å; K274-D316 IonicContact NZ-OD1 3.72Å; K274-D316 PolarHBondContact NZ-OD1 3.06Å; K274-W317 PolarHBondContact O-NE1 3.02Å; K274-W317 VanDerWaalsContact O-NE1 3.08Å
275	W	98.8	Very high	94.8	Very high	14 Å²	14	40.5 Å²	40.5	5%	0.053	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.7	164.6	-70.9	92	0	0	0	110.6	D233 W234 N235 L240 A242 I252 G279 I282 A296 W317	D233-W275 VanDerWaalsContact O-CD1 3.25Å; D233-W275 PolarHBondContact O-NE1 3.18Å; D233-W275 PolarHBondContact OD2-N 2.95Å; W234-W275 VanDerWaalsContact C-CD1 3.44Å; N235-W275 HydrophobicContact CB-CD2 3.68Å; N235-W275 HydrophobicContact CB-CE3 3.97Å; N235-W275 HydrophobicContact CB-CG 4Å; N235-W275 HydrophobicContact CB-CH2 4.42Å; N235-W275 HydrophobicContact CB-CZ2 4.19Å; N235-W275 HydrophobicContact CB-CZ3 4.32Å; L240-W275 HydrophobicContact CB-CH2 4.19Å; L240-W275 HydrophobicContact CB-CZ2 3.88Å; L240-W275 HydrophobicContact CD1-CH2 3.95Å; L240-W275 HydrophobicContact CD1-CZ2 4.48Å; A242-W275 HydrophobicContact CB-CZ2 4.06Å; I252-W275 HydrophobicContact CD1-CH2 3.96Å; I252-W275 HydrophobicContact CD1-CZ2 4.33Å; I252-W275 HydrophobicContact CG1-CZ2 4.42Å; I252-W275 HydrophobicContact CG2-CH2 4.39Å; I252-W275 HydrophobicContact CG2-CZ2 4.23Å; W275-G279 VanDerWaalsContact CZ3-O 3.24Å; W275-G279 WeakPolarHBondContact CZ3-O 3.47Å; W275-I282 HydrophobicContact CD2-CD1 4.26Å; W275-I282 HydrophobicContact CD2-CG1 3.67Å; W275-I282 HydrophobicContact CE3-CD1 4.31Å; W275-I282 HydrophobicContact CE3-CG1 3.68Å; W275-I282 HydrophobicContact CG-CG1 4.31Å; W275-I282 HydrophobicContact CH2-CD1 3.78Å; W275-I282 HydrophobicContact CH2-CG1 4.08Å; W275-I282 HydrophobicContact CZ2-CD1 3.67Å; W275-I282 HydrophobicContact CZ2-CG1 4.04Å; W275-I282 HydrophobicContact CZ3-CD1 4.1Å; W275-I282 HydrophobicContact CZ3-CG1 3.91Å; W275-A296 HydrophobicContact CE3-CB 4.37Å; W275-A296 HydrophobicContact CH2-CB 3.68Å; W275-A296 HydrophobicContact CZ3-CB 3.32Å; W275-W317 VanDerWaalsContact O-CD1 3.24Å; W275-W317 PolarHBondContact O-NE1 3.35Å
276	N	98.7	Very high	95	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.169	C	C	.	.			trans	-72.9	158.6	163.1	78.5	-19.6	0	0	0	110.1	K278 G279 N280 F281 W317 N320	N276-K278 PolarHBondContact O-N 2.95Å; N276-K278 VanDerWaalsContact O-N 3.1Å; N276-G279 PolarHBondContact O-N 3.09Å; N276-G279 PolarHBondContact OD1-N 3.4Å; N276-N280 PolarHBondContact ND2-OD1 2.99Å; N276-N280 PolarHBondContact OD1-N 2.96Å; N276-N280 PolarHBondContact OD1-OD1 2.79Å; N276-F281 HydrophobicContact CB-CB 4.38Å; N276-F281 PolarHBondContact N-O 2.98Å; N276-F281 PolarHBondContact OD1-N 2.8Å; N276-F281 PolarHBondContact OD1-O 3.39Å; N276-W317 HydrophobicContact CB-CD2 3.86Å; N276-W317 HydrophobicContact CB-CE3 4.33Å; N276-W317 HydrophobicContact CB-CG 4.24Å; N276-W317 HydrophobicContact CB-CH2 4.28Å; N276-W317 HydrophobicContact CB-CZ2 3.78Å; N276-N320 PolarHBondContact ND2-O 3.13Å; N276-N320 VanDerWaalsContact ND2-O 3.1Å
277	K	96.9	Very high	95	Very high	176 Å²	176	36.6 Å²	36.6	77%	0.765	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.8	-176.9	-176.3	171.5	-176.9	170	0	114	S236 G279 N320	S236-K277 PolarHBondContact OG-O 3.14Å; K277-G279 VanDerWaalsContact C-N 3.29Å; K277-N320 PolarHBondContact N-OD1 3.4Å
278	K	97.7	Very high	95.1	Very high	151 Å²	151	29.3 Å²	29.3	66%	0.657	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.5	177.3	-179.4	172.8	178.8	-176.5	0	113	N276 N280 N320	N276-K278 PolarHBondContact O-N 2.95Å; N276-K278 VanDerWaalsContact O-N 3.1Å; K278-N280 VanDerWaalsContact C-N 3.27Å; K278-N280 VanDerWaalsContact CB-OD1 3.32Å; K278-N280 WeakPolarHBondContact CB-OD1 3.26Å; K278-N280 WeakPolarHBondContact CD-OD1 3.4Å; K278-N280 HydrophobicContact CG-CB 4.4Å; K278-N280 WeakPolarHBondContact CG-OD1 3.36Å; K278-N280 PolarHBondContact O-N 2.98Å; K278-N320 VanDerWaalsContact CB-OD1 3.3Å; K278-N320 WeakPolarHBondContact CB-OD1 3.43Å; K278-N320 PolarHBondContact N-OD1 3.28Å
279	G	97.6	Very high	95.7	Very high	17 Å²	17	32.8 Å²	32.8	18%	0.175	16%	0.155	C	C	.	.	S	Bend	trans	73.1	15.7	179.9	0	0	0	0	0	114.3	W275 N276 K277	W275-G279 VanDerWaalsContact CZ3-O 3.24Å; W275-G279 WeakPolarHBondContact CZ3-O 3.47Å; N276-G279 PolarHBondContact O-N 3.09Å; N276-G279 PolarHBondContact OD1-N 3.4Å; K277-G279 VanDerWaalsContact C-N 3.29Å
280	N	97.6	Very high	96.1	Very high	24 Å²	24	32.8 Å²	32.8	13%	0.128	16%	0.155	C	C	.	.	S	Bend	trans	-102.6	-15.3	-178.6	74.4	-73	0	0	0	113.2	N276 K278 A296	N276-N280 PolarHBondContact ND2-OD1 2.99Å; N276-N280 PolarHBondContact OD1-N 2.96Å; N276-N280 PolarHBondContact OD1-OD1 2.79Å; K278-N280 VanDerWaalsContact C-N 3.27Å; K278-N280 VanDerWaalsContact CB-OD1 3.32Å; K278-N280 WeakPolarHBondContact CB-OD1 3.26Å; K278-N280 WeakPolarHBondContact CD-OD1 3.4Å; K278-N280 HydrophobicContact CG-CB 4.4Å; K278-N280 WeakPolarHBondContact CG-OD1 3.36Å; K278-N280 PolarHBondContact O-N 2.98Å; N280-A296 PolarHBondContact O-N 2.83Å; N280-A296 VanDerWaalsContact O-N 3.15Å
281	F	98.6	Very high	96.5	Very high	15 Å²	15	32.8 Å²	32.8	7%	0.066	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147	176.9	-63.8	-45.2	0	0	0	111.4	N276 I293 W294 D295 K302 W317 L337	N276-F281 HydrophobicContact CB-CB 4.38Å; N276-F281 PolarHBondContact N-O 2.98Å; N276-F281 PolarHBondContact OD1-N 2.8Å; N276-F281 PolarHBondContact OD1-O 3.39Å; F281-I293 HydrophobicContact CB-CG2 3.99Å; F281-I293 HydrophobicContact CD1-CG2 3.98Å; F281-I293 HydrophobicContact CD2-CG2 4.4Å; F281-I293 HydrophobicContact CG-CG2 3.88Å; F281-W294 VanDerWaalsContact CA-O 3.28Å; F281-W294 WeakPolarHBondContact CA-O 3.25Å; F281-W294 WeakPolarHBondContact CD1-O 3.37Å; F281-D295 HydrophobicContact CE1-CB 4.44Å; F281-K302 HydrophobicContact CE1-CG 4.12Å; F281-W317 HydrophobicContact CB-CH2 4.2Å; F281-W317 HydrophobicContact CB-CZ2 4.1Å; F281-L337 HydrophobicContact CE2-CD2 3.77Å; F281-L337 HydrophobicContact CZ-CD2 3.81Å
282	I	98.8	Very high	96.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.3	165.4	-65.4	161.1	0	0	0	107.1	A242 I252 L263 K274 W275 I293 W294 A296	A242-I282 HydrophobicContact CB-CD1 3.79Å; A242-I282 HydrophobicContact CB-CG1 4.32Å; I252-I282 HydrophobicContact CD1-CD1 3.53Å; I252-I282 HydrophobicContact CG1-CD1 3.63Å; L263-I282 HydrophobicContact CD1-CD1 3.75Å; K274-I282 WeakPolarHBondContact O-CA 3.48Å; W275-I282 HydrophobicContact CD2-CD1 4.26Å; W275-I282 HydrophobicContact CD2-CG1 3.67Å; W275-I282 HydrophobicContact CE3-CD1 4.31Å; W275-I282 HydrophobicContact CE3-CG1 3.68Å; W275-I282 HydrophobicContact CG-CG1 4.31Å; W275-I282 HydrophobicContact CH2-CD1 3.78Å; W275-I282 HydrophobicContact CH2-CG1 4.08Å; W275-I282 HydrophobicContact CZ2-CD1 3.67Å; W275-I282 HydrophobicContact CZ2-CG1 4.04Å; W275-I282 HydrophobicContact CZ3-CD1 4.1Å; W275-I282 HydrophobicContact CZ3-CG1 3.91Å; I282-I293 CarbonylContact O-C 3.57Å; I282-I293 WeakPolarHBondContact O-CA 3.46Å; I282-W294 HydrophobicContact CB-CB 4.36Å; I282-W294 PolarHBondContact N-O 3.46Å; I282-W294 VanDerWaalsContact N-O 3.09Å; I282-W294 PolarHBondContact O-N 3.26Å; I282-A296 HydrophobicContact CD1-CB 4.42Å
283	L	98.8	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.5	171.6	171.7	64.7	0	0	0	108.4	L273 K274 I292 I293 V315 W317 F323	L273-L283 CarbonylContact C-O 3.56Å; L273-L283 WeakPolarHBondContact CA-O 3.26Å; K274-L283 PolarHBondContact N-O 2.68Å; K274-L283 PolarHBondContact O-N 3.44Å; L283-I292 CarbonylContact C-O 3.6Å; L283-I292 WeakPolarHBondContact CA-O 3.27Å; L283-I293 HydrophobicContact CD1-CG1 3.98Å; L283-V315 HydrophobicContact CD1-CG1 4.39Å; L283-V315 HydrophobicContact CD2-CB 3.62Å; L283-V315 HydrophobicContact CD2-CG1 3.93Å; L283-V315 HydrophobicContact CD2-CG2 4.12Å; L283-V315 HydrophobicContact CG-CB 3.94Å; L283-V315 HydrophobicContact CG-CG1 4.01Å; L283-V315 HydrophobicContact CG-CG2 4.02Å; L283-W317 HydrophobicContact CB-CD2 4.49Å; L283-W317 VanDerWaalsContact CB-CE2 3.49Å; L283-W317 HydrophobicContact CB-CH2 4.22Å; L283-W317 HydrophobicContact CB-CZ2 3.36Å; L283-W317 HydrophobicContact CD2-CD2 4.16Å; L283-W317 HydrophobicContact CD2-CZ2 4.28Å; L283-W317 HydrophobicContact CG-CZ2 4.39Å; L283-F323 HydrophobicContact CD1-CD1 4.19Å; L283-F323 HydrophobicContact CD1-CD2 3.92Å; L283-F323 HydrophobicContact CD1-CE1 4.03Å; L283-F323 HydrophobicContact CD1-CE2 3.75Å; L283-F323 HydrophobicContact CD1-CG 4.13Å; L283-F323 HydrophobicContact CD1-CZ 3.8Å; L283-F323 HydrophobicContact CD2-CB 3.46Å; L283-F323 VanDerWaalsContact CD2-CB 3.46Å; L283-F323 HydrophobicContact CD2-CD1 4.11Å; L283-F323 HydrophobicContact CD2-CD2 3.48Å; L283-F323 VanDerWaalsContact CD2-CD2 3.48Å; L283-F323 HydrophobicContact CD2-CE2 4.18Å; L283-F323 HydrophobicContact CD2-CG 3.42Å; L283-F323 VanDerWaalsContact CD2-CG 3.42Å; L283-F323 HydrophobicContact CG-CD2 4.33Å; L283-F323 HydrophobicContact CG-CG 4.44Å
284	S	98.8	Very high	97	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.4	173.3	59.2	0	0	0	0	112	H266 A272 T291 I292 W294	H266-S284 PolarHBondContact CD2-OG 3.26Å; H266-S284 PolarHBondContact NE2-OG 3.14Å; A272-S284 CarbonylContact O-C 3.56Å; A272-S284 VanDerWaalsContact O-CA 3.23Å; A272-S284 WeakPolarHBondContact O-CA 3.26Å; S284-T291 CarbonylContact O-C 3.57Å; S284-T291 WeakPolarHBondContact O-CA 3.46Å; S284-T291 VanDerWaalsContact O-CB 3.32Å; S284-T291 WeakPolarHBondContact O-CB 3.18Å; S284-I292 PolarHBondContact N-O 2.89Å; S284-I292 PolarHBondContact O-N 2.86Å; S284-W294 PolarHBondContact OG-NE1 3.29Å
285	A	97.8	Very high	96.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.2	173.2	0	0	0	0	0	109.7	I270 F271 A272 T291 A312 V315	I270-A285 CarbonylContact C-O 3.51Å; I270-A285 WeakPolarHBondContact CA-O 3.17Å; F271-A285 PolarHBondContact N-O 2.58Å; A272-A285 HydrophobicContact CB-CB 4.32Å; A272-A285 PolarHBondContact O-N 3.46Å; A285-T291 HydrophobicContact CB-CG2 4.09Å; A285-A312 HydrophobicContact CB-CB 3.96Å; A285-A312 WeakPolarHBondContact CB-O 3.12Å; A285-V315 HydrophobicContact CB-CG1 3.8Å; A285-V315 HydrophobicContact CB-CG2 4.27Å
286	G	90.8	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	163.8	-175	0	0	0	0	0	114.5	P269 D288 K289 T290 A312	P269-G286 WeakPolarHBondContact O-CA 3.33Å; G286-D288 PolarHBondContact O-N 3.11Å; G286-K289 PolarHBondContact O-N 3.34Å; G286-T290 PolarHBondContact N-O 3.12Å; G286-T290 VanDerWaalsContact N-O 3.09Å; G286-A312 PolarHBondContact O-N 2.91Å; G286-A312 VanDerWaalsContact O-N 3.11Å
287	V	89.9	Confident	96.5	Very high	28 Å²	28	35.5 Å²	35.5	17%	0.17	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.5	172	75.7	0	0	0	0	112.5	F26 P269 F271 K289 P311	F26-V287 HydrophobicContact CZ-CG2 4.22Å; P269-V287 HydrophobicContact CG-CG1 4.49Å; P269-V287 PolarHBondContact O-N 3.44Å; F271-V287 HydrophobicContact CE2-CB 3.66Å; F271-V287 HydrophobicContact CE2-CG2 3.92Å; F271-V287 HydrophobicContact CZ-CB 3.9Å; F271-V287 HydrophobicContact CZ-CG2 3.99Å; V287-K289 PolarHBondContact O-N 3.05Å; V287-P311 HydrophobicContact CG2-CB 4.33Å; V287-P311 HydrophobicContact CG2-CG 3.96Å
288	D	88.8	Confident	96.4	Very high	29 Å²	29	31.2 Å²	31.2	16%	0.155	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	10.8	179.8	68.8	7.7	0	0	0	114.2	H266 K267 G286 T290	H266-D288 WeakPolarHBondContact CA-OD2 3.33Å; H266-D288 IonicContact CE1-OD1 3.45Å; H266-D288 IonicContact CG-OD2 2.83Å; H266-D288 IonicContact ND1-OD1 3.57Å; H266-D288 PolarHBondContact ND1-OD1 3.39Å; H266-D288 VanDerWaalsContact ND1-OD1 3.07Å; H266-D288 IonicContact ND1-OD2 3.81Å; H266-D288 PolarHBondContact ND1-OD2 3.23Å; H266-D288 VanDerWaalsContact ND1-OD2 3.12Å; K267-D288 HydrophobicContact CB-CB 3.79Å; K267-D288 PolarHBondContact N-OD2 2.82Å; G286-D288 PolarHBondContact O-N 3.11Å; D288-T290 WeakPolarHBondContact O-CG2 3.24Å; D288-T290 PolarHBondContact O-N 2.98Å; D288-T290 WeakPolarHBondContact OD1-CB 3.37Å; D288-T290 PolarHBondContact OD1-N 3.15Å; D288-T290 VanDerWaalsContact OD1-N 3.1Å; D288-T290 PolarHBondContact OD1-OG1 2.9Å; D288-T290 PolarHBondContact OD2-OG1 2.93Å
289	K	95.5	Very high	96.1	Very high	96 Å²	96	24.3 Å²	24.3	42%	0.417	13%	0.131	S	C	.	.	S	Bend	trans	71.6	12.5	175.1	-39.1	173.5	172.9	-162.9	0	112.9	G286 V287 H308 S309 A310	G286-K289 PolarHBondContact O-N 3.34Å; V287-K289 PolarHBondContact O-N 3.05Å; K289-H308 HydrophobicContact CB-CB 4.49Å; K289-S309 WeakPolarHBondContact CD-O 3.26Å; K289-S309 WeakPolarHBondContact CE-O 3.28Å; K289-S309 PolarHBondContact NZ-O 2.94Å; K289-A310 WeakPolarHBondContact CA-O 3.42Å; K289-A310 VanDerWaalsContact CB-O 3.28Å; K289-A310 WeakPolarHBondContact CB-O 3.32Å
290	T	97.8	Very high	96	Very high	10 Å²	10	29.9 Å²	29.9	6%	0.061	15%	0.153	C	C	.	.			trans	-118.7	155.3	-177.2	76.7	0	0	0	0	111.7	H266 G286 D288 Q304 F305 P306	H266-T290 PolarHBondContact CE1-O 3.25Å; G286-T290 PolarHBondContact N-O 3.12Å; G286-T290 VanDerWaalsContact N-O 3.09Å; D288-T290 WeakPolarHBondContact O-CG2 3.24Å; D288-T290 PolarHBondContact O-N 2.98Å; D288-T290 WeakPolarHBondContact OD1-CB 3.37Å; D288-T290 PolarHBondContact OD1-N 3.15Å; D288-T290 VanDerWaalsContact OD1-N 3.1Å; D288-T290 PolarHBondContact OD1-OG1 2.9Å; D288-T290 PolarHBondContact OD2-OG1 2.93Å; T290-Q304 HydrophobicContact CG2-CG 4.17Å; T290-Q304 PolarHBondContact OG1-NE2 2.79Å; T290-F305 WeakPolarHBondContact CA-O 3.26Å; T290-P306 HydrophobicContact CG2-CB 3.95Å
291	T	98.8	Very high	96	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	148.3	161.9	61.7	0	0	0	0	109.9	S284 A285 Q304 F305 A312 V315 F323	S284-T291 CarbonylContact O-C 3.57Å; S284-T291 WeakPolarHBondContact O-CA 3.46Å; S284-T291 VanDerWaalsContact O-CB 3.32Å; S284-T291 WeakPolarHBondContact O-CB 3.18Å; A285-T291 HydrophobicContact CB-CG2 4.09Å; T291-Q304 CarbonylContact O-C 3.5Å; T291-Q304 WeakPolarHBondContact O-CA 3.32Å; T291-F305 PolarHBondContact N-O 2.86Å; T291-F305 PolarHBondContact O-N 3.36Å; T291-F305 WeakPolarHBondContact OG1-CB 3.21Å; T291-A312 HydrophobicContact CG2-CB 4.16Å; T291-V315 HydrophobicContact CG2-CG1 3.7Å; T291-F323 HydrophobicContact CG2-CE2 4.26Å; T291-F323 WeakPolarHBondContact OG1-CE2 3.26Å; T291-F323 VanDerWaalsContact OG1-CZ 3.31Å; T291-F323 WeakPolarHBondContact OG1-CZ 3.34Å
292	I	98.8	Very high	95.9	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.4	180	-58.3	175.3	0	0	0	109.3	L283 S284 W294 A301 Q303 Q304	L283-I292 CarbonylContact C-O 3.6Å; L283-I292 WeakPolarHBondContact CA-O 3.27Å; S284-I292 PolarHBondContact N-O 2.89Å; S284-I292 PolarHBondContact O-N 2.86Å; I292-W294 HydrophobicContact CB-CZ2 3.79Å; I292-W294 HydrophobicContact CD1-CH2 3.91Å; I292-W294 HydrophobicContact CD1-CZ2 3.61Å; I292-W294 HydrophobicContact CG1-CZ2 4.27Å; I292-W294 HydrophobicContact CG2-CD2 3.71Å; I292-W294 HydrophobicContact CG2-CE3 4.16Å; I292-W294 HydrophobicContact CG2-CG 4.23Å; I292-W294 HydrophobicContact CG2-CH2 4.01Å; I292-W294 HydrophobicContact CG2-CZ2 3.56Å; I292-W294 HydrophobicContact CG2-CZ3 4.29Å; I292-A301 HydrophobicContact CG2-CB 3.96Å; I292-Q303 WeakPolarHBondContact CA-O 3.1Å; I292-Q304 HydrophobicContact CD1-CG 4.29Å; I292-Q304 HydrophobicContact CG1-CB 4.04Å; I292-Q304 HydrophobicContact CG1-CG 3.81Å
293	I	98.8	Very high	95.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.6	162.9	-67.6	174.9	0	0	0	107.9	F281 I282 L283 K302 Q303 F305 W317 F323 L337	F281-I293 HydrophobicContact CB-CG2 3.99Å; F281-I293 HydrophobicContact CD1-CG2 3.98Å; F281-I293 HydrophobicContact CD2-CG2 4.4Å; F281-I293 HydrophobicContact CG-CG2 3.88Å; I282-I293 CarbonylContact O-C 3.57Å; I282-I293 WeakPolarHBondContact O-CA 3.46Å; L283-I293 HydrophobicContact CD1-CG1 3.98Å; I293-K302 HydrophobicContact CG2-CB 4.17Å; I293-K302 WeakPolarHBondContact O-CA 3.32Å; I293-K302 WeakPolarHBondContact O-CB 3.29Å; I293-K302 PolarHBondContact O-N 3.49Å; I293-Q303 PolarHBondContact N-O 2.88Å; I293-Q303 PolarHBondContact O-N 2.93Å; I293-F305 HydrophobicContact CB-CE2 4.32Å; I293-F305 HydrophobicContact CD1-CE2 3.77Å; I293-F305 HydrophobicContact CD1-CZ 3.91Å; I293-F305 HydrophobicContact CG1-CE2 3.83Å; I293-F305 HydrophobicContact CG1-CZ 4.47Å; I293-W317 HydrophobicContact CD1-CH2 3.7Å; I293-W317 HydrophobicContact CD1-CZ3 4.12Å; I293-W317 HydrophobicContact CG1-CH2 3.85Å; I293-W317 HydrophobicContact CG1-CZ2 4.49Å; I293-W317 HydrophobicContact CG2-CH2 4.4Å; I293-F323 HydrophobicContact CD1-CD1 4.01Å; I293-F323 HydrophobicContact CD1-CE1 3.71Å; I293-F323 HydrophobicContact CG1-CE1 4.11Å; I293-L337 HydrophobicContact CB-CD1 4.45Å; I293-L337 HydrophobicContact CD1-CB 4.07Å; I293-L337 HydrophobicContact CD1-CD1 4.05Å; I293-L337 HydrophobicContact CG2-CD1 4.32Å
294	W	98.5	Very high	95.9	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.3	176.2	-48.3	88.6	0	0	0	110.3	L263 F281 I282 S284 I292 A296 E300 A301	L263-W294 HydrophobicContact CB-CD2 4.02Å; L263-W294 HydrophobicContact CB-CE3 3.67Å; L263-W294 HydrophobicContact CB-CG 4.43Å; L263-W294 HydrophobicContact CB-CZ3 4.19Å; L263-W294 HydrophobicContact CD1-CB 3.79Å; L263-W294 HydrophobicContact CD1-CD2 4.26Å; L263-W294 HydrophobicContact CD1-CG 3.85Å; F281-W294 VanDerWaalsContact CA-O 3.28Å; F281-W294 WeakPolarHBondContact CA-O 3.25Å; F281-W294 WeakPolarHBondContact CD1-O 3.37Å; I282-W294 HydrophobicContact CB-CB 4.36Å; I282-W294 PolarHBondContact N-O 3.46Å; I282-W294 VanDerWaalsContact N-O 3.09Å; I282-W294 PolarHBondContact O-N 3.26Å; S284-W294 PolarHBondContact OG-NE1 3.29Å; I292-W294 HydrophobicContact CB-CZ2 3.79Å; I292-W294 HydrophobicContact CD1-CH2 3.91Å; I292-W294 HydrophobicContact CD1-CZ2 3.61Å; I292-W294 HydrophobicContact CG1-CZ2 4.27Å; I292-W294 HydrophobicContact CG2-CD2 3.71Å; I292-W294 HydrophobicContact CG2-CE3 4.16Å; I292-W294 HydrophobicContact CG2-CG 4.23Å; I292-W294 HydrophobicContact CG2-CH2 4.01Å; I292-W294 HydrophobicContact CG2-CZ2 3.56Å; I292-W294 HydrophobicContact CG2-CZ3 4.29Å; W294-A296 PolarHBondContact O-N 3.31Å; W294-E300 WeakPolarHBondContact CA-O 3.19Å; W294-A301 HydrophobicContact CE3-CB 3.78Å; W294-A301 HydrophobicContact CH2-CB 4.37Å; W294-A301 HydrophobicContact CZ3-CB 3.63Å
295	D	97.4	Very high	95.9	Very high	19 Å²	19	42.9 Å²	42.9	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	114.1	167.2	-163.6	-51.6	0	0	0	109.6	F281 H297 T298 G299 E300 K302	F281-D295 HydrophobicContact CE1-CB 4.44Å; D295-H297 PolarHBondContact O-N 3.16Å; D295-H297 WeakPolarHBondContact OD1-CB 3.32Å; D295-H297 IonicContact OD1-CG 3.57Å; D295-H297 PolarHBondContact OD1-N 3.29Å; D295-H297 IonicContact OD1-ND1 2.88Å; D295-H297 PolarHBondContact OD1-ND1 2.78Å; D295-T298 WeakPolarHBondContact CB-OG1 3.39Å; D295-T298 PolarHBondContact OD1-N 2.63Å; D295-G299 WeakPolarHBondContact O-CA 2.98Å; D295-G299 PolarHBondContact O-N 3.42Å; D295-E300 PolarHBondContact N-O 3.07Å; D295-K302 HydrophobicContact CB-CD 4.5Å; D295-K302 HydrophobicContact CB-CG 3.81Å; D295-K302 WeakPolarHBondContact OD2-CE 3.14Å; D295-K302 IonicContact OD2-NZ 3.72Å
296	A	95.7	Very high	95.9	Very high	16 Å²	16	47.2 Å²	47.2	13%	0.132	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20	-176	0	0	0	0	0	113.4	I252 W275 N280 I282 W294	I252-A296 HydrophobicContact CD1-CB 4.01Å; W275-A296 HydrophobicContact CE3-CB 4.37Å; W275-A296 HydrophobicContact CH2-CB 3.68Å; W275-A296 HydrophobicContact CZ3-CB 3.32Å; N280-A296 PolarHBondContact O-N 2.83Å; N280-A296 VanDerWaalsContact O-N 3.15Å; I282-A296 HydrophobicContact CD1-CB 4.42Å; W294-A296 PolarHBondContact O-N 3.31Å
297	H	93.9	Very high	96.3	Very high	151 Å²	151	49.4 Å²	49.4	70%	0.699	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-44.7	-179.7	-58.2	88	0	0	0	111.8	D295	D295-H297 PolarHBondContact O-N 3.16Å; D295-H297 WeakPolarHBondContact OD1-CB 3.32Å; D295-H297 IonicContact OD1-CG 3.57Å; D295-H297 PolarHBondContact OD1-N 3.29Å; D295-H297 IonicContact OD1-ND1 2.88Å; D295-H297 PolarHBondContact OD1-ND1 2.78Å
298	T	94.1	Very high	96.6	Very high	86 Å²	86	48.7 Å²	48.7	53%	0.528	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-22.9	-179.1	70.6	0	0	0	0	112.2	D295 E300	D295-T298 WeakPolarHBondContact CB-OG1 3.39Å; D295-T298 PolarHBondContact OD1-N 2.63Å; T298-E300 VanDerWaalsContact C-N 3.28Å; T298-E300 PolarHBondContact OG1-N 3.09Å
299	G	92.5	Very high	96.8	Very high	6 Å²	6	51.3 Å²	51.3	6%	0.062	27%	0.274	C	S	.	.			trans	82.1	1.8	-172.9	0	0	0	0	0	113.9	L263 D295	L263-G299 CarbonylContact C-O 3.33Å; L263-G299 WeakPolarHBondContact CA-O 3.32Å; L263-G299 WeakPolarHBondContact CB-O 3.46Å; L263-G299 VanDerWaalsContact CD2-CA 3.46Å; D295-G299 WeakPolarHBondContact O-CA 2.98Å; D295-G299 PolarHBondContact O-N 3.42Å
300	E	94.1	Very high	96.5	Very high	133 Å²	133	47.6 Å²	47.6	62%	0.621	26%	0.261	S	S	*	.			trans	-97.6	153.1	-171.1	-62.6	-177.3	153.7	0	0	113.1	W294 D295 T298 K302	W294-E300 WeakPolarHBondContact CA-O 3.19Å; D295-E300 PolarHBondContact N-O 3.07Å; T298-E300 VanDerWaalsContact C-N 3.28Å; T298-E300 PolarHBondContact OG1-N 3.09Å; E300-K302 PolarHBondContact O-N 2.74Å
301	A	97.3	Very high	96.3	Very high	58 Å²	58	48.4 Å²	48.4	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	118.3	168.9	0	0	0	0	0	110.1	I292 W294	I292-A301 HydrophobicContact CG2-CB 3.96Å; W294-A301 HydrophobicContact CE3-CB 3.78Å; W294-A301 HydrophobicContact CH2-CB 4.37Å; W294-A301 HydrophobicContact CZ3-CB 3.63Å
302	K	97.5	Very high	96.1	Very high	116 Å²	116	48.3 Å²	48.3	50%	0.504	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-44.9	174.8	-86.4	-80.8	179.8	-179.2	0	112.1	F281 I293 D295 E300 L337	F281-K302 HydrophobicContact CE1-CG 4.12Å; I293-K302 HydrophobicContact CG2-CB 4.17Å; I293-K302 WeakPolarHBondContact O-CA 3.32Å; I293-K302 WeakPolarHBondContact O-CB 3.29Å; I293-K302 PolarHBondContact O-N 3.49Å; D295-K302 HydrophobicContact CB-CD 4.5Å; D295-K302 HydrophobicContact CB-CG 3.81Å; D295-K302 WeakPolarHBondContact OD2-CE 3.14Å; D295-K302 IonicContact OD2-NZ 3.72Å; E300-K302 PolarHBondContact O-N 2.74Å; K302-L337 HydrophobicContact CB-CD1 4.22Å
303	Q	98.4	Very high	95.8	Very high	39 Å²	39	49.8 Å²	49.8	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	136.2	-179.1	-171	174.3	-5.6	0	0	110.7	I292 I293 F305 L337 Q339	I292-Q303 WeakPolarHBondContact CA-O 3.1Å; I293-Q303 PolarHBondContact N-O 2.88Å; I293-Q303 PolarHBondContact O-N 2.93Å; Q303-F305 HydrophobicContact CB-CE2 3.85Å; Q303-F305 HydrophobicContact CB-CZ 3.9Å; Q303-F305 VanDerWaalsContact CD-CE1 3.41Å; Q303-F305 HydrophobicContact CG-CD2 4.38Å; Q303-F305 HydrophobicContact CG-CE1 4.04Å; Q303-F305 HydrophobicContact CG-CE2 3.85Å; Q303-F305 HydrophobicContact CG-CZ 3.67Å; Q303-F305 VanDerWaalsContact NE2-CE1 3.31Å; Q303-L337 HydrophobicContact CB-CD1 3.94Å; Q303-Q339 PolarHBondContact NE2-O 3.11Å
304	Q	98.4	Very high	95.8	Very high	98 Å²	98	50.5 Å²	50.5	46%	0.458	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.2	169.2	-176.5	168.6	19.5	0	0	109.6	T290 T291 I292 P306	T290-Q304 HydrophobicContact CG2-CG 4.17Å; T290-Q304 PolarHBondContact OG1-NE2 2.79Å; T291-Q304 CarbonylContact O-C 3.5Å; T291-Q304 WeakPolarHBondContact O-CA 3.32Å; I292-Q304 HydrophobicContact CD1-CG 4.29Å; I292-Q304 HydrophobicContact CG1-CB 4.04Å; I292-Q304 HydrophobicContact CG1-CG 3.81Å; Q304-P306 WeakPolarHBondContact O-CD 3.43Å
305	F	98.6	Very high	95.8	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	96.7	-177.3	-56	-96.9	0	0	0	109	T290 T291 I293 Q303 F307 F323 C335	T290-F305 WeakPolarHBondContact CA-O 3.26Å; T291-F305 PolarHBondContact N-O 2.86Å; T291-F305 PolarHBondContact O-N 3.36Å; T291-F305 WeakPolarHBondContact OG1-CB 3.21Å; I293-F305 HydrophobicContact CB-CE2 4.32Å; I293-F305 HydrophobicContact CD1-CE2 3.77Å; I293-F305 HydrophobicContact CD1-CZ 3.91Å; I293-F305 HydrophobicContact CG1-CE2 3.83Å; I293-F305 HydrophobicContact CG1-CZ 4.47Å; Q303-F305 HydrophobicContact CB-CE2 3.85Å; Q303-F305 HydrophobicContact CB-CZ 3.9Å; Q303-F305 VanDerWaalsContact CD-CE1 3.41Å; Q303-F305 HydrophobicContact CG-CD2 4.38Å; Q303-F305 HydrophobicContact CG-CE1 4.04Å; Q303-F305 HydrophobicContact CG-CE2 3.85Å; Q303-F305 HydrophobicContact CG-CZ 3.67Å; Q303-F305 VanDerWaalsContact NE2-CE1 3.31Å; F305-F307 VanDerWaalsContact C-N 3.32Å; F305-F307 HydrophobicContact CB-CD2 4.07Å; F305-F307 HydrophobicContact CB-CE2 3.93Å; F305-F307 HydrophobicContact CB-CZ 4.32Å; F305-F307 AromaticContact CD1-CE2 3.67Å; F305-F307 HydrophobicContact CD1-CE2 3.67Å; F305-F307 AromaticContact CD1-CZ 3.94Å; F305-F307 HydrophobicContact CD1-CZ 3.94Å; F305-F307 HydrophobicContact CG-CE2 4.29Å; F305-F307 PolarHBondContact O-N 2.94Å; F305-F323 HydrophobicContact CD1-CZ 4.43Å; F305-F323 HydrophobicContact CD2-CE1 4.09Å; F305-F323 AromaticContact CD2-CZ 3.72Å; F305-F323 HydrophobicContact CD2-CZ 3.72Å; F305-F323 HydrophobicContact CE1-CE1 4.38Å; F305-F323 AromaticContact CE2-CE1 3.8Å; F305-F323 HydrophobicContact CE2-CE1 3.8Å; F305-F323 AromaticContact CE2-CZ 3.94Å; F305-F323 HydrophobicContact CE2-CZ 3.94Å; F305-F323 AromaticContact CG-CZ 4Å; F305-F323 HydrophobicContact CG-CZ 4Å; F305-F323 AromaticContact CZ-CE1 3.95Å; F305-F323 HydrophobicContact CZ-CE1 3.95Å; F305-F323 HydrophobicContact CZ-CZ 4.36Å; F305-C335 HydrophobicContact CD1-CB 4.22Å; F305-C335 HydrophobicContact CE1-CB 4.42Å
306	P	98.3	Very high	95.9	Very high	90 Å²	90	50.4 Å²	50.4	58%	0.584	28%	0.278	S	S	*	.			trans	-92.5	58.5	-177	37.5	-36	0	0	0	111.3	T290 Q304	T290-P306 HydrophobicContact CG2-CB 3.95Å; Q304-P306 WeakPolarHBondContact O-CD 3.43Å
307	F	98.3	Very high	96.1	Very high	46 Å²	46	51 Å²	51	20%	0.202	28%	0.277	C	S	.	.			trans	-95.9	-28.8	-173.2	-57.9	-29.5	0	0	0	113.9	F305 H333 C335 D340 P342	F305-F307 VanDerWaalsContact C-N 3.32Å; F305-F307 HydrophobicContact CB-CD2 4.07Å; F305-F307 HydrophobicContact CB-CE2 3.93Å; F305-F307 HydrophobicContact CB-CZ 4.32Å; F305-F307 AromaticContact CD1-CE2 3.67Å; F305-F307 HydrophobicContact CD1-CE2 3.67Å; F305-F307 AromaticContact CD1-CZ 3.94Å; F305-F307 HydrophobicContact CD1-CZ 3.94Å; F305-F307 HydrophobicContact CG-CE2 4.29Å; F305-F307 PolarHBondContact O-N 2.94Å; F307-H333 PolarHBondContact O-NE2 2.84Å; F307-C335 VanDerWaalsContact CD2-SG 3.55Å; F307-D340 VanDerWaalsContact CE1-O 3.24Å; F307-D340 WeakPolarHBondContact CE1-O 3.35Å; F307-D340 WeakPolarHBondContact CZ-O 3.46Å; F307-P342 HydrophobicContact CD2-CB 4.13Å; F307-P342 HydrophobicContact CD2-CG 4.38Å; F307-P342 HydrophobicContact CE2-CB 4.36Å
308	H	97.8	Very high	96.3	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.06	26%	0.256	C	S	.	.			trans	-76.9	148.5	178.1	-70.4	-69.7	0	0	0	111.7	K289 A310 S325 S327 D329 C331 H333	K289-H308 HydrophobicContact CB-CB 4.49Å; H308-A310 WeakPolarHBondContact CB-O 3.18Å; H308-S325 PolarHBondContact NE2-O 2.82Å; H308-S325 PolarHBondContact NE2-OG 2.94Å; H308-S327 VanDerWaalsContact CE1-CB 3.48Å; H308-S327 WeakPolarHBondContact CE1-CB 3.29Å; H308-S327 WeakPolarHBondContact ND1-CB 3.33Å; H308-D329 VanDerWaalsContact CA-OD2 3.29Å; H308-D329 WeakPolarHBondContact CA-OD2 3.38Å; H308-D329 WeakPolarHBondContact CB-OD2 3.37Å; H308-D329 IonicContact CG-OD2 3.49Å; H308-D329 IonicContact ND1-OD1 3.98Å; H308-D329 PolarHBondContact ND1-OD1 2.82Å; H308-D329 IonicContact ND1-OD2 3.26Å; H308-D329 PolarHBondContact ND1-OD2 2.71Å; H308-C331 PolarHBondContact CE1-O 3.39Å; H308-H333 AromaticContact CD2-CD2 3.9Å; H308-H333 AromaticContact CE1-CD2 3.27Å; H308-H333 PolarHBondContact CE1-CD2 2.86Å; H308-H333 AromaticContact CE1-CG 3.98Å; H308-H333 AromaticContact CE1-NE2 3.86Å; H308-H333 AromaticContact CG-CD2 3.78Å; H308-H333 AromaticContact ND1-CD2 3.38Å; H308-H333 PolarHBondContact ND1-CD2 2.95Å; H308-H333 AromaticContact ND1-NE2 3.6Å; H308-H333 AromaticContact NE2-CD2 3.58Å
309	S	91.9	Very high	96.5	Very high	85 Å²	85	45.1 Å²	45.1	59%	0.594	25%	0.249	S	C	*	.	S	Bend	trans	-93.5	-8.3	175.8	65.4	0	0	0	0	113	K289 D329	K289-S309 WeakPolarHBondContact CD-O 3.26Å; K289-S309 WeakPolarHBondContact CE-O 3.28Å; K289-S309 PolarHBondContact NZ-O 2.94Å; S309-D329 PolarHBondContact N-OD2 2.76Å; S309-D329 WeakPolarHBondContact OG-CB 3.41Å; S309-D329 PolarHBondContact OG-OD2 3.47Å
310	A	89	Confident	96.7	Very high	18 Å²	18	47.3 Å²	47.3	15%	0.149	26%	0.26	C	S	.	.	S	Bend	trans	-142.9	173.4	178.2	0	0	0	0	0	110.5	K289 H308 A312 S327 T328 D329	K289-A310 WeakPolarHBondContact CA-O 3.42Å; K289-A310 VanDerWaalsContact CB-O 3.28Å; K289-A310 WeakPolarHBondContact CB-O 3.32Å; H308-A310 WeakPolarHBondContact CB-O 3.18Å; A310-A312 PolarHBondContact O-N 2.85Å; A310-S327 PolarHBondContact O-OG 2.98Å; A310-S327 VanDerWaalsContact O-OG 3.04Å; A310-T328 WeakPolarHBondContact CB-OG1 3.45Å; A310-D329 HydrophobicContact CB-CB 3.85Å
311	P	94.8	Very high	96.9	Very high	26 Å²	26	44.1 Å²	44.1	17%	0.169	25%	0.247	C	C	.	.			trans	-46.7	136.1	-177.1	-35.4	38.4	0	0	0	115.3	F271 V287 L313 S327 T328	F271-P311 HydrophobicContact CE2-CB 4.04Å; V287-P311 HydrophobicContact CG2-CB 4.33Å; V287-P311 HydrophobicContact CG2-CG 3.96Å; P311-L313 HydrophobicContact CB-CD2 4.4Å; P311-S327 VanDerWaalsContact O-CA 3.25Å; P311-S327 WeakPolarHBondContact O-CA 3.41Å; P311-S327 WeakPolarHBondContact O-CB 3.3Å; P311-S327 PolarHBondContact O-OG 3.22Å; P311-T328 HydrophobicContact CB-CG2 4.38Å; P311-T328 WeakPolarHBondContact CD-OG1 3.24Å; P311-T328 PolarHBondContact O-N 2.83Å
312	A	95	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.7	175.2	0	0	0	0	0	109.3	F271 A285 G286 T291 A310 C326	F271-A312 WeakPolarHBondContact CD2-O 3.13Å; A285-A312 HydrophobicContact CB-CB 3.96Å; A285-A312 WeakPolarHBondContact CB-O 3.12Å; G286-A312 PolarHBondContact O-N 2.91Å; G286-A312 VanDerWaalsContact O-N 3.11Å; T291-A312 HydrophobicContact CG2-CB 4.16Å; A310-A312 PolarHBondContact O-N 2.85Å; A312-C326 CarbonylContact C-O 3.57Å; A312-C326 WeakPolarHBondContact CA-O 3.34Å
313	L	92.1	Very high	97.1	Very high	37 Å²	37	36.6 Å²	36.6	19%	0.194	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-44.5	-167.1	-63	-175.9	0	0	0	113.2	F271 P311 C326 T328	F271-L313 HydrophobicContact CD2-CD2 4.05Å; F271-L313 HydrophobicContact CE2-CD2 4.26Å; P311-L313 HydrophobicContact CB-CD2 4.4Å; L313-C326 PolarHBondContact N-O 2.91Å; L313-T328 HydrophobicContact CD1-CG2 3.75Å; L313-T328 HydrophobicContact CD2-CG2 3.95Å; L313-T328 HydrophobicContact CG-CG2 3.98Å
314	D	98.6	Very high	97.1	Very high	15 Å²	15	34.8 Å²	34.8	8%	0.08	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.1	-177.7	-171.9	24.8	0	0	0	111	K274 S325 C326 A355 I356 K357	K274-D314 IonicContact NZ-OD1 3.84Å; D314-S325 WeakPolarHBondContact O-CA 3.17Å; D314-C326 PolarHBondContact O-N 3.15Å; D314-A355 WeakPolarHBondContact OD2-CA 3.44Å; D314-I356 HydrophobicContact CB-CG1 4.42Å; D314-I356 PolarHBondContact OD2-N 2.78Å; D314-K357 IonicContact OD1-NZ 3.6Å; D314-K357 IonicContact OD2-NZ 2.84Å; D314-K357 PolarHBondContact OD2-NZ 3.39Å
315	V	98.9	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.5	179.4	-82	0	0	0	0	110.6	A272 K274 L283 A285 T291 F323 A324	A272-V315 HydrophobicContact CB-CG2 3.86Å; K274-V315 WeakPolarHBondContact CD-O 3.4Å; K274-V315 WeakPolarHBondContact CE-O 3.29Å; K274-V315 PolarHBondContact NZ-O 3.04Å; L283-V315 HydrophobicContact CD1-CG1 4.39Å; L283-V315 HydrophobicContact CD2-CB 3.62Å; L283-V315 HydrophobicContact CD2-CG1 3.93Å; L283-V315 HydrophobicContact CD2-CG2 4.12Å; L283-V315 HydrophobicContact CG-CB 3.94Å; L283-V315 HydrophobicContact CG-CG1 4.01Å; L283-V315 HydrophobicContact CG-CG2 4.02Å; A285-V315 HydrophobicContact CB-CG1 3.8Å; A285-V315 HydrophobicContact CB-CG2 4.27Å; T291-V315 HydrophobicContact CG2-CG1 3.7Å; V315-F323 HydrophobicContact CG1-CD2 4.45Å; V315-A324 VanDerWaalsContact CA-O 3.31Å; V315-A324 WeakPolarHBondContact CA-O 3.43Å
316	D	98.9	Very high	97.1	Very high	23 Å²	23	30.1 Å²	30.1	12%	0.123	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	133.3	174.8	-154.2	51.6	0	0	0	112.5	K274 F323 A324 K357 W358	K274-D316 IonicContact NZ-OD1 3.72Å; K274-D316 PolarHBondContact NZ-OD1 3.06Å; D316-F323 CarbonylContact O-C 3.58Å; D316-F323 VanDerWaalsContact O-CA 3.25Å; D316-F323 WeakPolarHBondContact O-CA 3.46Å; D316-F323 WeakPolarHBondContact O-CB 3.33Å; D316-A324 PolarHBondContact N-O 2.99Å; D316-A324 PolarHBondContact O-N 3Å; D316-K357 WeakPolarHBondContact OD2-CA 3.43Å; D316-W358 PolarHBondContact O-NE1 3.36Å; D316-W358 PolarHBondContact OD2-N 2.96Å
317	W	98.8	Very high	97.1	Very high	29 Å²	29	25.8 Å²	25.8	11%	0.11	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.4	-178.8	-73.5	107.3	0	0	0	110.9	K274 W275 N276 F281 L283 I293 F323	K274-W317 PolarHBondContact O-NE1 3.02Å; K274-W317 VanDerWaalsContact O-NE1 3.08Å; W275-W317 VanDerWaalsContact O-CD1 3.24Å; W275-W317 PolarHBondContact O-NE1 3.35Å; N276-W317 HydrophobicContact CB-CD2 3.86Å; N276-W317 HydrophobicContact CB-CE3 4.33Å; N276-W317 HydrophobicContact CB-CG 4.24Å; N276-W317 HydrophobicContact CB-CH2 4.28Å; N276-W317 HydrophobicContact CB-CZ2 3.78Å; F281-W317 HydrophobicContact CB-CH2 4.2Å; F281-W317 HydrophobicContact CB-CZ2 4.1Å; L283-W317 HydrophobicContact CB-CD2 4.49Å; L283-W317 VanDerWaalsContact CB-CE2 3.49Å; L283-W317 HydrophobicContact CB-CH2 4.22Å; L283-W317 HydrophobicContact CB-CZ2 3.36Å; L283-W317 HydrophobicContact CD2-CD2 4.16Å; L283-W317 HydrophobicContact CD2-CZ2 4.28Å; L283-W317 HydrophobicContact CG-CZ2 4.39Å; I293-W317 HydrophobicContact CD1-CH2 3.7Å; I293-W317 HydrophobicContact CD1-CZ3 4.12Å; I293-W317 HydrophobicContact CG1-CH2 3.85Å; I293-W317 HydrophobicContact CG1-CZ2 4.49Å; I293-W317 HydrophobicContact CG2-CH2 4.4Å; W317-F323 HydrophobicContact CD2-CB 4.26Å; W317-F323 HydrophobicContact CE3-CB 3.82Å; W317-F323 HydrophobicContact CZ3-CB 4.29Å; W317-F323 HydrophobicContact CZ3-CD1 4.2Å
318	Q	98.5	Very high	96.9	Very high	58 Å²	58	24.8 Å²	24.8	27%	0.271	15%	0.145	S	C	.	.	S	Bend	trans	-81	-36.5	168.4	-167	-171.3	9.7	0	0	111.1	T322 W358 G362	Q318-T322 HydrophobicContact CB-CG2 4.36Å; Q318-T322 WeakPolarHBondContact CB-O 3.28Å; Q318-T322 PolarHBondContact N-O 3.28Å; Q318-W358 HydrophobicContact CB-CD2 3.83Å; Q318-W358 HydrophobicContact CB-CE3 4.48Å; Q318-W358 HydrophobicContact CB-CG 4.1Å; Q318-W358 HydrophobicContact CB-CZ2 3.9Å; Q318-W358 HydrophobicContact CG-CD2 3.65Å; Q318-W358 HydrophobicContact CG-CE3 3.8Å; Q318-W358 HydrophobicContact CG-CG 4.24Å; Q318-W358 HydrophobicContact CG-CH2 4.01Å; Q318-W358 HydrophobicContact CG-CZ2 3.86Å; Q318-W358 HydrophobicContact CG-CZ3 3.98Å; Q318-G362 PolarHBondContact NE2-O 3.15Å
319	S	98.1	Very high	96.7	Very high	55 Å²	55	25 Å²	25	39%	0.385	15%	0.146	S	C	.	.	S	Bend	trans	-150.6	-173.7	178.3	71.8	0	0	0	0	109.3	N321 T322	S319-N321 PolarHBondContact O-N 2.93Å; S319-N321 VanDerWaalsContact O-N 3.1Å; S319-N321 PolarHBondContact OG-N 3.32Å; S319-T322 PolarHBondContact N-O 3.43Å; S319-T322 WeakPolarHBondContact OG-CB 3.23Å; S319-T322 PolarHBondContact OG-N 3.3Å; S319-T322 VanDerWaalsContact OG-N 3.14Å; S319-T322 PolarHBondContact OG-OG1 3.41Å
320	N	98.4	Very high	97	Very high	53 Å²	53	25 Å²	25	28%	0.283	14%	0.138	S	C	.	.	S	Bend	trans	-66.4	-11.9	177.9	-71.1	-46.2	0	0	0	114.7	N276 K277 K278	N276-N320 PolarHBondContact ND2-O 3.13Å; N276-N320 VanDerWaalsContact ND2-O 3.1Å; K277-N320 PolarHBondContact N-OD1 3.4Å; K278-N320 VanDerWaalsContact CB-OD1 3.3Å; K278-N320 WeakPolarHBondContact CB-OD1 3.43Å; K278-N320 PolarHBondContact N-OD1 3.28Å
321	N	98.3	Very high	97.5	Very high	66 Å²	66	25.3 Å²	25.3	35%	0.353	14%	0.138	S	C	.	.	S	Bend	trans	-136.9	-4.7	-174.6	-61.6	97.8	0	0	0	114.1	S319 K336 L337	S319-N321 PolarHBondContact O-N 2.93Å; S319-N321 VanDerWaalsContact O-N 3.1Å; S319-N321 PolarHBondContact OG-N 3.32Å; N321-K336 CarbonylContact O-C 3.57Å; N321-K336 WeakPolarHBondContact O-CA 3.42Å; N321-K336 WeakPolarHBondContact O-CG 3.48Å; N321-L337 HydrophobicContact CB-CB 4.44Å; N321-L337 PolarHBondContact O-N 3.13Å
322	T	98.8	Very high	97.7	Very high	16 Å²	16	24.1 Å²	24.1	10%	0.098	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.7	179.9	-49.9	0	0	0	0	108.3	Q318 S319 V334 C335 K336	Q318-T322 HydrophobicContact CB-CG2 4.36Å; Q318-T322 WeakPolarHBondContact CB-O 3.28Å; Q318-T322 PolarHBondContact N-O 3.28Å; S319-T322 PolarHBondContact N-O 3.43Å; S319-T322 WeakPolarHBondContact OG-CB 3.23Å; S319-T322 PolarHBondContact OG-N 3.3Å; S319-T322 VanDerWaalsContact OG-N 3.14Å; S319-T322 PolarHBondContact OG-OG1 3.41Å; T322-V334 HydrophobicContact CG2-CG1 3.87Å; T322-C335 CarbonylContact C-O 3.59Å; T322-C335 VanDerWaalsContact CA-O 3.27Å; T322-C335 WeakPolarHBondContact CA-O 3.32Å; T322-C335 VanDerWaalsContact CG2-O 3.27Å; T322-C335 WeakPolarHBondContact CG2-O 3.36Å; T322-K336 HydrophobicContact CG2-CB 4.45Å
323	F	98.9	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	167.9	-178.9	67.3	-87.1	0	0	0	110.4	L283 T291 I293 F305 V315 D316 W317 V334 C335	L283-F323 HydrophobicContact CD1-CD1 4.19Å; L283-F323 HydrophobicContact CD1-CD2 3.92Å; L283-F323 HydrophobicContact CD1-CE1 4.03Å; L283-F323 HydrophobicContact CD1-CE2 3.75Å; L283-F323 HydrophobicContact CD1-CG 4.13Å; L283-F323 HydrophobicContact CD1-CZ 3.8Å; L283-F323 HydrophobicContact CD2-CB 3.46Å; L283-F323 VanDerWaalsContact CD2-CB 3.46Å; L283-F323 HydrophobicContact CD2-CD1 4.11Å; L283-F323 HydrophobicContact CD2-CD2 3.48Å; L283-F323 VanDerWaalsContact CD2-CD2 3.48Å; L283-F323 HydrophobicContact CD2-CE2 4.18Å; L283-F323 HydrophobicContact CD2-CG 3.42Å; L283-F323 VanDerWaalsContact CD2-CG 3.42Å; L283-F323 HydrophobicContact CG-CD2 4.33Å; L283-F323 HydrophobicContact CG-CG 4.44Å; T291-F323 HydrophobicContact CG2-CE2 4.26Å; T291-F323 WeakPolarHBondContact OG1-CE2 3.26Å; T291-F323 VanDerWaalsContact OG1-CZ 3.31Å; T291-F323 WeakPolarHBondContact OG1-CZ 3.34Å; I293-F323 HydrophobicContact CD1-CD1 4.01Å; I293-F323 HydrophobicContact CD1-CE1 3.71Å; I293-F323 HydrophobicContact CG1-CE1 4.11Å; F305-F323 HydrophobicContact CD1-CZ 4.43Å; F305-F323 HydrophobicContact CD2-CE1 4.09Å; F305-F323 AromaticContact CD2-CZ 3.72Å; F305-F323 HydrophobicContact CD2-CZ 3.72Å; F305-F323 HydrophobicContact CE1-CE1 4.38Å; F305-F323 AromaticContact CE2-CE1 3.8Å; F305-F323 HydrophobicContact CE2-CE1 3.8Å; F305-F323 AromaticContact CE2-CZ 3.94Å; F305-F323 HydrophobicContact CE2-CZ 3.94Å; F305-F323 AromaticContact CG-CZ 4Å; F305-F323 HydrophobicContact CG-CZ 4Å; F305-F323 AromaticContact CZ-CE1 3.95Å; F305-F323 HydrophobicContact CZ-CE1 3.95Å; F305-F323 HydrophobicContact CZ-CZ 4.36Å; V315-F323 HydrophobicContact CG1-CD2 4.45Å; D316-F323 CarbonylContact O-C 3.58Å; D316-F323 VanDerWaalsContact O-CA 3.25Å; D316-F323 WeakPolarHBondContact O-CA 3.46Å; D316-F323 WeakPolarHBondContact O-CB 3.33Å; W317-F323 HydrophobicContact CD2-CB 4.26Å; W317-F323 HydrophobicContact CE3-CB 3.82Å; W317-F323 HydrophobicContact CZ3-CB 4.29Å; W317-F323 HydrophobicContact CZ3-CD1 4.2Å; F323-V334 CarbonylContact O-C 3.57Å; F323-V334 WeakPolarHBondContact O-CA 3.31Å; F323-C335 HydrophobicContact CD1-CB 3.98Å; F323-C335 HydrophobicContact CD2-CB 4.13Å; F323-C335 HydrophobicContact CE1-CB 3.43Å; F323-C335 VanDerWaalsContact CE1-CB 3.43Å; F323-C335 HydrophobicContact CE2-CB 3.62Å; F323-C335 HydrophobicContact CG-CB 4.31Å; F323-C335 HydrophobicContact CZ-CB 3.25Å; F323-C335 PolarHBondContact N-O 2.99Å; F323-C335 PolarHBondContact O-N 2.81Å
324	A	98.9	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150.6	165.4	0	0	0	0	0	110.2	V315 D316 I332 H333 V334 I356 W358 L365	V315-A324 VanDerWaalsContact CA-O 3.31Å; V315-A324 WeakPolarHBondContact CA-O 3.43Å; D316-A324 PolarHBondContact N-O 2.99Å; D316-A324 PolarHBondContact O-N 3Å; A324-I332 HydrophobicContact CB-CG2 4.33Å; A324-H333 CarbonylContact C-O 3.43Å; A324-H333 WeakPolarHBondContact CA-O 3.44Å; A324-V334 HydrophobicContact CB-CG2 4.29Å; A324-I356 HydrophobicContact CB-CD1 3.64Å; A324-I356 WeakPolarHBondContact O-CD1 3.38Å; A324-W358 HydrophobicContact CB-CZ2 4.02Å; A324-L365 HydrophobicContact CB-CD1 4.21Å; A324-L365 HydrophobicContact CB-CD2 3.68Å
325	S	98.9	Very high	98.2	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.6	171.6	61.8	0	0	0	0	110.4	H308 D314 I332 H333	H308-S325 PolarHBondContact NE2-O 2.82Å; H308-S325 PolarHBondContact NE2-OG 2.94Å; D314-S325 WeakPolarHBondContact O-CA 3.17Å; S325-I332 CarbonylContact O-C 3.56Å; S325-I332 VanDerWaalsContact O-CA 3.27Å; S325-I332 WeakPolarHBondContact O-CA 3.29Å; S325-I332 WeakPolarHBondContact O-CG2 3.15Å; S325-H333 PolarHBondContact N-O 3.21Å; S325-H333 PolarHBondContact O-N 2.83Å
326	C	98.8	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	162.1	175.5	71	0	0	0	0	111.7	A312 L313 D314 I332 V353 I356	A312-C326 CarbonylContact C-O 3.57Å; A312-C326 WeakPolarHBondContact CA-O 3.34Å; L313-C326 PolarHBondContact N-O 2.91Å; D314-C326 PolarHBondContact O-N 3.15Å; C326-I332 HydrophobicContact CB-CG1 3.95Å; C326-V353 HydrophobicContact CB-CB 3.83Å; C326-V353 HydrophobicContact CB-CG1 3.54Å; C326-V353 PolarHBondContact SG-O 3.12Å; C326-I356 HydrophobicContact CB-CD1 4.07Å; C326-I356 HydrophobicContact CB-CG1 4.19Å; C326-I356 HydrophobicContact CB-CG2 3.64Å
327	S	98.3	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.3	-167.7	173.5	0	0	0	0	112.8	H308 A310 P311 D329 M330 C331 V353	H308-S327 VanDerWaalsContact CE1-CB 3.48Å; H308-S327 WeakPolarHBondContact CE1-CB 3.29Å; H308-S327 WeakPolarHBondContact ND1-CB 3.33Å; A310-S327 PolarHBondContact O-OG 2.98Å; A310-S327 VanDerWaalsContact O-OG 3.04Å; P311-S327 VanDerWaalsContact O-CA 3.25Å; P311-S327 WeakPolarHBondContact O-CA 3.41Å; P311-S327 WeakPolarHBondContact O-CB 3.3Å; P311-S327 PolarHBondContact O-OG 3.22Å; S327-D329 VanDerWaalsContact CB-OD1 3.26Å; S327-D329 WeakPolarHBondContact CB-OD1 3.36Å; S327-D329 PolarHBondContact O-N 2.89Å; S327-D329 PolarHBondContact OG-N 3.26Å; S327-D329 VanDerWaalsContact OG-N 3.13Å; S327-D329 PolarHBondContact OG-OD1 2.86Å; S327-M330 PolarHBondContact O-N 2.94Å; S327-C331 PolarHBondContact N-O 3.26Å; S327-V353 PolarHBondContact O-N 3.12Å; S327-V353 VanDerWaalsContact O-N 3.13Å
328	T	93	Very high	98.1	Very high	25 Å²	25	29 Å²	29	15%	0.153	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.2	167.1	65.6	0	0	0	0	113	A310 P311 L313 M330 E352	A310-T328 WeakPolarHBondContact CB-OG1 3.45Å; P311-T328 HydrophobicContact CB-CG2 4.38Å; P311-T328 WeakPolarHBondContact CD-OG1 3.24Å; P311-T328 PolarHBondContact O-N 2.83Å; L313-T328 HydrophobicContact CD1-CG2 3.75Å; L313-T328 HydrophobicContact CD2-CG2 3.95Å; L313-T328 HydrophobicContact CG-CG2 3.98Å; T328-M330 PolarHBondContact O-N 3.28Å; T328-M330 VanDerWaalsContact O-N 3.15Å; T328-E352 HydrophobicContact CG2-CB 4.36Å; T328-E352 VanDerWaalsContact CG2-CD 3.45Å; T328-E352 HydrophobicContact CG2-CG 4.02Å; T328-E352 WeakPolarHBondContact CG2-OE2 3.46Å
329	D	94.7	Very high	98.1	Very high	18 Å²	18	30.5 Å²	30.5	10%	0.096	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	10.2	172.3	72.2	11.4	0	0	0	114.6	H308 S309 A310 S327 C331	H308-D329 VanDerWaalsContact CA-OD2 3.29Å; H308-D329 WeakPolarHBondContact CA-OD2 3.38Å; H308-D329 WeakPolarHBondContact CB-OD2 3.37Å; H308-D329 IonicContact CG-OD2 3.49Å; H308-D329 IonicContact ND1-OD1 3.98Å; H308-D329 PolarHBondContact ND1-OD1 2.82Å; H308-D329 IonicContact ND1-OD2 3.26Å; H308-D329 PolarHBondContact ND1-OD2 2.71Å; S309-D329 PolarHBondContact N-OD2 2.76Å; S309-D329 WeakPolarHBondContact OG-CB 3.41Å; S309-D329 PolarHBondContact OG-OD2 3.47Å; A310-D329 HydrophobicContact CB-CB 3.85Å; S327-D329 VanDerWaalsContact CB-OD1 3.26Å; S327-D329 WeakPolarHBondContact CB-OD1 3.36Å; S327-D329 PolarHBondContact O-N 2.89Å; S327-D329 PolarHBondContact OG-N 3.26Å; S327-D329 VanDerWaalsContact OG-N 3.13Å; S327-D329 PolarHBondContact OG-OD1 2.86Å; D329-C331 PolarHBondContact O-N 2.9Å; D329-C331 VanDerWaalsContact O-N 3.12Å; D329-C331 PolarHBondContact O-SG 2.78Å; D329-C331 VanDerWaalsContact OD1-CB 3.26Å; D329-C331 WeakPolarHBondContact OD1-CB 3.15Å; D329-C331 PolarHBondContact OD1-N 3.41Å
330	M	97.8	Very high	98.1	Very high	85 Å²	85	33.9 Å²	33.9	42%	0.419	19%	0.189	S	C	.	.	S	Bend	trans	68.2	3.3	177.1	-43.2	172	-78.5	0	0	114.1	S327 T328 S350 N351	S327-M330 PolarHBondContact O-N 2.94Å; T328-M330 PolarHBondContact O-N 3.28Å; T328-M330 VanDerWaalsContact O-N 3.15Å; M330-S350 VanDerWaalsContact SD-C 3.53Å; M330-N351 WeakPolarHBondContact CG-O 3.23Å
331	C	98.3	Very high	98	Very high	23 Å²	23	40.2 Å²	40.2	16%	0.155	21%	0.209	C	C	.	.			trans	-104	155.4	-177	-61.9	0	0	0	0	112.1	H308 S327 D329 T345	H308-C331 PolarHBondContact CE1-O 3.39Å; S327-C331 PolarHBondContact N-O 3.26Å; D329-C331 PolarHBondContact O-N 2.9Å; D329-C331 VanDerWaalsContact O-N 3.12Å; D329-C331 PolarHBondContact O-SG 2.78Å; D329-C331 VanDerWaalsContact OD1-CB 3.26Å; D329-C331 WeakPolarHBondContact OD1-CB 3.15Å; D329-C331 PolarHBondContact OD1-N 3.41Å; C331-T345 HydrophobicContact CB-CG2 4.43Å
332	I	98.9	Very high	98	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.9	169.6	-55.7	164.5	0	0	0	108.2	A324 S325 C326 T345 F346 V353 I356 L365 S367 W377	A324-I332 HydrophobicContact CB-CG2 4.33Å; S325-I332 CarbonylContact O-C 3.56Å; S325-I332 VanDerWaalsContact O-CA 3.27Å; S325-I332 WeakPolarHBondContact O-CA 3.29Å; S325-I332 WeakPolarHBondContact O-CG2 3.15Å; C326-I332 HydrophobicContact CB-CG1 3.95Å; I332-T345 CarbonylContact O-C 3.56Å; I332-T345 WeakPolarHBondContact O-CA 3.38Å; I332-F346 HydrophobicContact CB-CB 4.21Å; I332-F346 HydrophobicContact CG2-CD2 4.36Å; I332-F346 PolarHBondContact N-O 2.75Å; I332-F346 VanDerWaalsContact N-O 3.08Å; I332-F346 PolarHBondContact O-N 2.53Å; I332-V353 HydrophobicContact CD1-CG1 4.2Å; I332-V353 HydrophobicContact CG1-CG1 4.14Å; I332-I356 HydrophobicContact CD1-CG2 3.9Å; I332-I356 HydrophobicContact CG1-CG2 4.15Å; I332-I356 HydrophobicContact CG2-CD1 4.36Å; I332-I356 HydrophobicContact CG2-CG2 4.31Å; I332-L365 HydrophobicContact CG2-CD2 3.75Å; I332-S367 VanDerWaalsContact CD1-CB 3.43Å; I332-W377 HydrophobicContact CD1-CZ2 4.22Å
333	H	98.9	Very high	98	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.069	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.4	177.3	-64	-40.8	0	0	0	110.6	F307 H308 A324 S325 P342 T345	F307-H333 PolarHBondContact O-NE2 2.84Å; H308-H333 AromaticContact CD2-CD2 3.9Å; H308-H333 AromaticContact CE1-CD2 3.27Å; H308-H333 PolarHBondContact CE1-CD2 2.86Å; H308-H333 AromaticContact CE1-CG 3.98Å; H308-H333 AromaticContact CE1-NE2 3.86Å; H308-H333 AromaticContact CG-CD2 3.78Å; H308-H333 AromaticContact ND1-CD2 3.38Å; H308-H333 PolarHBondContact ND1-CD2 2.95Å; H308-H333 AromaticContact ND1-NE2 3.6Å; H308-H333 AromaticContact NE2-CD2 3.58Å; A324-H333 CarbonylContact C-O 3.43Å; A324-H333 WeakPolarHBondContact CA-O 3.44Å; S325-H333 PolarHBondContact N-O 3.21Å; S325-H333 PolarHBondContact O-N 2.83Å; H333-P342 HydrophobicContact CB-CB 4.24Å; H333-T345 VanDerWaalsContact CE1-CG2 3.46Å; H333-T345 WeakPolarHBondContact CE1-CG2 3.41Å; H333-T345 PolarHBondContact CE1-OG1 3.41Å; H333-T345 WeakPolarHBondContact ND1-CG2 3.18Å; H333-T345 PolarHBondContact ND1-OG1 3.21Å
334	V	98.9	Very high	98	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119	167.6	-175.9	0	0	0	0	108	T322 F323 A324 P342 I343 K344 F346 W358 M379	T322-V334 HydrophobicContact CG2-CG1 3.87Å; F323-V334 CarbonylContact O-C 3.57Å; F323-V334 WeakPolarHBondContact O-CA 3.31Å; A324-V334 HydrophobicContact CB-CG2 4.29Å; V334-P342 CarbonylContact O-C 3.58Å; V334-I343 HydrophobicContact CG1-CB 4.46Å; V334-I343 WeakPolarHBondContact O-CA 3.29Å; V334-I343 WeakPolarHBondContact O-CB 3.35Å; V334-I343 PolarHBondContact O-N 3.46Å; V334-K344 HydrophobicContact CB-CB 4.24Å; V334-K344 HydrophobicContact CG2-CB 4.44Å; V334-K344 PolarHBondContact N-O 2.76Å; V334-K344 PolarHBondContact O-N 2.91Å; V334-F346 HydrophobicContact CG2-CD2 4.25Å; V334-F346 HydrophobicContact CG2-CE2 3.78Å; V334-W358 HydrophobicContact CG1-CZ2 4.15Å; V334-W358 HydrophobicContact CG2-CH2 4.32Å; V334-W358 HydrophobicContact CG2-CZ2 4.02Å; V334-M379 HydrophobicContact CB-CE 4.18Å; V334-M379 HydrophobicContact CB-SD 4.19Å; V334-M379 HydrophobicContact CG1-CE 3.9Å; V334-M379 HydrophobicContact CG1-SD 4.06Å; V334-M379 HydrophobicContact CG2-CE 4.43Å; V334-M379 HydrophobicContact CG2-SD 3.79Å
335	C	98.8	Very high	98	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153	-169	-62	0	0	0	0	110.2	F305 F307 T322 F323	F305-C335 HydrophobicContact CD1-CB 4.22Å; F305-C335 HydrophobicContact CE1-CB 4.42Å; F307-C335 VanDerWaalsContact CD2-SG 3.55Å; T322-C335 CarbonylContact C-O 3.59Å; T322-C335 VanDerWaalsContact CA-O 3.27Å; T322-C335 WeakPolarHBondContact CA-O 3.32Å; T322-C335 VanDerWaalsContact CG2-O 3.27Å; T322-C335 WeakPolarHBondContact CG2-O 3.36Å; F323-C335 HydrophobicContact CD1-CB 3.98Å; F323-C335 HydrophobicContact CD2-CB 4.13Å; F323-C335 HydrophobicContact CE1-CB 3.43Å; F323-C335 VanDerWaalsContact CE1-CB 3.43Å; F323-C335 HydrophobicContact CE2-CB 3.62Å; F323-C335 HydrophobicContact CG-CB 4.31Å; F323-C335 HydrophobicContact CZ-CB 3.25Å; F323-C335 PolarHBondContact N-O 2.99Å; F323-C335 PolarHBondContact O-N 2.81Å
336	K	98.8	Very high	98	Very high	91 Å²	91	45.8 Å²	45.8	40%	0.396	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.8	178	-173.7	177.9	-178	179.5	0	110.9	N321 T322 G338 Q339 I343	N321-K336 CarbonylContact O-C 3.57Å; N321-K336 WeakPolarHBondContact O-CA 3.42Å; N321-K336 WeakPolarHBondContact O-CG 3.48Å; T322-K336 HydrophobicContact CG2-CB 4.45Å; K336-G338 PolarHBondContact O-N 3.19Å; K336-Q339 HydrophobicContact CB-CG 3.99Å; K336-Q339 HydrophobicContact CG-CG 4.45Å; K336-Q339 WeakPolarHBondContact O-CB 3.25Å; K336-Q339 PolarHBondContact O-N 3.27Å; K336-I343 HydrophobicContact CB-CD1 3.87Å; K336-I343 HydrophobicContact CB-CG1 3.75Å; K336-I343 HydrophobicContact CD-CD1 4.4Å
337	L	98.4	Very high	97.9	Very high	41 Å²	41	52.2 Å²	52.2	22%	0.215	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	132	175.2	-174.5	67.7	0	0	0	111.2	F281 I293 K302 Q303 N321 Q339	F281-L337 HydrophobicContact CE2-CD2 3.77Å; F281-L337 HydrophobicContact CZ-CD2 3.81Å; I293-L337 HydrophobicContact CB-CD1 4.45Å; I293-L337 HydrophobicContact CD1-CB 4.07Å; I293-L337 HydrophobicContact CD1-CD1 4.05Å; I293-L337 HydrophobicContact CG2-CD1 4.32Å; K302-L337 HydrophobicContact CB-CD1 4.22Å; Q303-L337 HydrophobicContact CB-CD1 3.94Å; N321-L337 HydrophobicContact CB-CB 4.44Å; N321-L337 PolarHBondContact O-N 3.13Å; L337-Q339 VanDerWaalsContact C-N 3.34Å
338	G	98.3	Very high	97.9	Very high	61 Å²	61	54.5 Å²	54.5	63%	0.629	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-0.2	-176.6	0	0	0	0	0	114.8	K336	K336-G338 PolarHBondContact O-N 3.19Å
339	Q	98.4	Very high	98.1	Very high	89 Å²	89	53.9 Å²	53.9	42%	0.416	29%	0.289	S	S	.	.			trans	-104.2	132.8	174.9	-57.1	-63.7	-50.8	0	0	110.1	Q303 K336 L337 R341 I343	Q303-Q339 PolarHBondContact NE2-O 3.11Å; K336-Q339 HydrophobicContact CB-CG 3.99Å; K336-Q339 HydrophobicContact CG-CG 4.45Å; K336-Q339 WeakPolarHBondContact O-CB 3.25Å; K336-Q339 PolarHBondContact O-N 3.27Å; L337-Q339 VanDerWaalsContact C-N 3.34Å; Q339-R341 VanDerWaalsContact C-N 3.34Å; Q339-I343 HydrophobicContact CB-CD1 4.43Å; Q339-I343 HydrophobicContact CG-CD1 3.88Å
340	D	96.9	Very high	98.3	Very high	125 Å²	125	57.4 Å²	57.4	67%	0.668	32%	0.315	S	S	*	.	S	Bend	trans	-92.1	3.6	-178.9	67.3	-16.2	0	0	0	113.2	F307	F307-D340 VanDerWaalsContact CE1-O 3.24Å; F307-D340 WeakPolarHBondContact CE1-O 3.35Å; F307-D340 WeakPolarHBondContact CZ-O 3.46Å
341	R	97.6	Very high	98.2	Very high	187 Å²	187	56.5 Å²	56.5	71%	0.706	31%	0.312	S	S	*	.	S	Bend	trans	-137.6	154.3	175.6	-64.3	-178	-173.8	-161.7	-1.2	109.7	Q339 I343	Q339-R341 VanDerWaalsContact C-N 3.34Å; R341-I343 PolarHBondContact O-N 3.1Å
342	P	98.3	Very high	98	Very high	42 Å²	42	57.5 Å²	57.5	27%	0.273	31%	0.314	S	S	.	.			trans	-60.5	139.1	172.6	25.6	-33.3	0	0	0	110.1	F307 H333 V334 K344	F307-P342 HydrophobicContact CD2-CB 4.13Å; F307-P342 HydrophobicContact CD2-CG 4.38Å; F307-P342 HydrophobicContact CE2-CB 4.36Å; H333-P342 HydrophobicContact CB-CB 4.24Å; V334-P342 CarbonylContact O-C 3.58Å; P342-K344 PolarHBondContact O-N 3.47Å
343	I	98.3	Very high	98	Very high	81 Å²	81	57.5 Å²	57.5	42%	0.415	31%	0.314	S	S	.	.	S	Bend	trans	-61.9	-38.9	170.2	-58.9	-60.2	0	0	0	109.8	V334 K336 Q339 R341 M379	V334-I343 HydrophobicContact CG1-CB 4.46Å; V334-I343 WeakPolarHBondContact O-CA 3.29Å; V334-I343 WeakPolarHBondContact O-CB 3.35Å; V334-I343 PolarHBondContact O-N 3.46Å; K336-I343 HydrophobicContact CB-CD1 3.87Å; K336-I343 HydrophobicContact CB-CG1 3.75Å; K336-I343 HydrophobicContact CD-CD1 4.4Å; Q339-I343 HydrophobicContact CB-CD1 4.43Å; Q339-I343 HydrophobicContact CG-CD1 3.88Å; R341-I343 PolarHBondContact O-N 3.1Å; I343-M379 HydrophobicContact CG2-CE 3.72Å
344	K	98.5	Very high	97.7	Very high	29 Å²	29	58.2 Å²	58.2	13%	0.126	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	149.4	178.4	-165	171.1	-177.7	72	0	110.2	V334 P342 F346 M379 Q381 D382	V334-K344 HydrophobicContact CB-CB 4.24Å; V334-K344 HydrophobicContact CG2-CB 4.44Å; V334-K344 PolarHBondContact N-O 2.76Å; V334-K344 PolarHBondContact O-N 2.91Å; P342-K344 PolarHBondContact O-N 3.47Å; K344-F346 HydrophobicContact CD-CD1 4.34Å; K344-F346 HydrophobicContact CD-CE1 3.58Å; K344-F346 HydrophobicContact CD-CE2 4.33Å; K344-F346 HydrophobicContact CD-CZ 3.57Å; K344-F346 HydrophobicContact CG-CE1 4.28Å; K344-F346 HydrophobicContact CG-CZ 4.35Å; K344-M379 HydrophobicContact CB-CE 3.61Å; K344-M379 HydrophobicContact CB-SD 4.1Å; K344-M379 HydrophobicContact CD-CE 3.88Å; K344-M379 HydrophobicContact CD-SD 3.69Å; K344-M379 HydrophobicContact CG-CE 4.4Å; K344-Q381 WeakPolarHBondContact CE-O 3.23Å; K344-Q381 PolarHBondContact NZ-O 2.89Å; K344-D382 IonicContact NZ-OD1 3.21Å; K344-D382 PolarHBondContact NZ-OD1 3.39Å
345	T	98.6	Very high	97.7	Very high	47 Å²	47	58.6 Å²	58.6	29%	0.288	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.2	170.2	-62	0	0	0	0	108.3	C331 I332 H333 Q347	C331-T345 HydrophobicContact CB-CG2 4.43Å; I332-T345 CarbonylContact O-C 3.56Å; I332-T345 WeakPolarHBondContact O-CA 3.38Å; H333-T345 VanDerWaalsContact CE1-CG2 3.46Å; H333-T345 WeakPolarHBondContact CE1-CG2 3.41Å; H333-T345 PolarHBondContact CE1-OG1 3.41Å; H333-T345 WeakPolarHBondContact ND1-CG2 3.18Å; H333-T345 PolarHBondContact ND1-OG1 3.21Å; T345-Q347 HydrophobicContact CG2-CG 3.97Å
346	F	98.8	Very high	97.7	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.6	170.4	-62.3	-64.8	0	0	0	109.4	I332 V334 K344 L365 W377 S378 M379	I332-F346 HydrophobicContact CB-CB 4.21Å; I332-F346 HydrophobicContact CG2-CD2 4.36Å; I332-F346 PolarHBondContact N-O 2.75Å; I332-F346 VanDerWaalsContact N-O 3.08Å; I332-F346 PolarHBondContact O-N 2.53Å; V334-F346 HydrophobicContact CG2-CD2 4.25Å; V334-F346 HydrophobicContact CG2-CE2 3.78Å; K344-F346 HydrophobicContact CD-CD1 4.34Å; K344-F346 HydrophobicContact CD-CE1 3.58Å; K344-F346 HydrophobicContact CD-CE2 4.33Å; K344-F346 HydrophobicContact CD-CZ 3.57Å; K344-F346 HydrophobicContact CG-CE1 4.28Å; K344-F346 HydrophobicContact CG-CZ 4.35Å; F346-L365 HydrophobicContact CD2-CD2 4.23Å; F346-L365 HydrophobicContact CE2-CD2 4.14Å; F346-W377 HydrophobicContact CB-CD2 3.81Å; F346-W377 HydrophobicContact CB-CE3 3.57Å; F346-W377 HydrophobicContact CB-CG 4.43Å; F346-W377 HydrophobicContact CB-CH2 4.17Å; F346-W377 HydrophobicContact CB-CZ2 4.38Å; F346-W377 HydrophobicContact CB-CZ3 3.76Å; F346-W377 HydrophobicContact CD1-CB 4.01Å; F346-W377 HydrophobicContact CD1-CD2 4.01Å; F346-W377 AromaticContact CD1-CE3 3.48Å; F346-W377 HydrophobicContact CD1-CE3 3.48Å; F346-W377 VanDerWaalsContact CD1-CE3 3.48Å; F346-W377 HydrophobicContact CD1-CG 4.26Å; F346-W377 HydrophobicContact CD1-CZ3 4.23Å; F346-W377 HydrophobicContact CD2-CB 3.99Å; F346-W377 HydrophobicContact CD2-CD2 4.36Å; F346-W377 HydrophobicContact CD2-CG 4.12Å; F346-W377 HydrophobicContact CE1-CB 3.79Å; F346-W377 HydrophobicContact CE1-CE3 4.27Å; F346-W377 HydrophobicContact CE2-CB 3.8Å; F346-W377 HydrophobicContact CE2-CG 4.41Å; F346-W377 HydrophobicContact CG-CB 4.1Å; F346-W377 AromaticContact CG-CD2 3.83Å; F346-W377 HydrophobicContact CG-CD2 3.83Å; F346-W377 AromaticContact CG-CE3 3.67Å; F346-W377 HydrophobicContact CG-CE3 3.67Å; F346-W377 HydrophobicContact CG-CG 4.04Å; F346-W377 HydrophobicContact CG-CZ3 4.33Å; F346-W377 HydrophobicContact CZ-CB 3.69Å; F346-S378 WeakPolarHBondContact CE1-O 3.21Å; F346-M379 HydrophobicContact CE2-SD 4.18Å; F346-M379 HydrophobicContact CZ-SD 3.94Å
347	Q	98.1	Very high	97.7	Very high	136 Å²	136	55.6 Å²	55.6	64%	0.636	31%	0.308	S	S	*	.			trans	-132.3	144.8	176.8	-61.2	-179	31	0	0	108.4	T345	T345-Q347 HydrophobicContact CG2-CG 3.97Å
348	G	97.5	Very high	97.7	Very high	47 Å²	47	54.4 Å²	54.4	49%	0.485	30%	0.301	S	S	.	.			trans	154.4	-18.3	179.3	0	0	0	0	0	113.9	K375	G348-K375 VanDerWaalsContact O-CE 3.26Å; G348-K375 WeakPolarHBondContact O-CE 3.07Å
349	H	98.3	Very high	97.7	Very high	13 Å²	13	51.9 Å²	51.9	6%	0.06	27%	0.273	C	S	.	.			trans	-68.7	148.2	164.8	-79.9	-64.4	0	0	0	110.5	V353 S367 S369 D371 T373 K375	H349-V353 HydrophobicContact CB-CG2 3.83Å; H349-S367 PolarHBondContact NE2-OG 2.57Å; H349-S369 WeakPolarHBondContact ND1-CB 3.38Å; H349-D371 WeakPolarHBondContact CA-OD2 3.47Å; H349-D371 WeakPolarHBondContact CB-OD2 3.33Å; H349-D371 IonicContact CE1-OD1 2.76Å; H349-D371 IonicContact CE1-OD2 2.61Å; H349-D371 IonicContact CG-OD2 2.67Å; H349-D371 IonicContact ND1-OD1 3.1Å; H349-D371 PolarHBondContact ND1-OD1 2.69Å; H349-D371 IonicContact ND1-OD2 2.58Å; H349-D371 PolarHBondContact ND1-OD2 3.48Å; H349-T373 PolarHBondContact CE1-OG1 2.79Å; H349-T373 VanDerWaalsContact CE1-OG1 3.31Å; H349-T373 PolarHBondContact ND1-OG1 2.9Å; H349-K375 WeakPolarHBondContact ND1-CE 3.45Å
350	S	97.6	Very high	97.6	Very high	92 Å²	92	50.2 Å²	50.2	64%	0.643	27%	0.27	S	S	*	.	S	Bend	trans	-111.5	7.9	179.3	63.1	0	0	0	0	113.5	M330 D371	M330-S350 VanDerWaalsContact SD-C 3.53Å; S350-D371 PolarHBondContact N-OD2 2.58Å; S350-D371 WeakPolarHBondContact OG-CB 3.36Å
351	N	95.9	Very high	97.6	Very high	66 Å²	66	47.2 Å²	47.2	35%	0.353	26%	0.256	S	S	.	.	S	Bend	trans	-152.4	-177.8	174.4	-152.9	-12.9	0	0	0	109.9	M330 V353 S369 D370 D371	M330-N351 WeakPolarHBondContact CG-O 3.23Å; N351-V353 PolarHBondContact O-N 3.43Å; N351-S369 PolarHBondContact O-OG 2.96Å; N351-D370 HydrophobicContact CB-CB 3.96Å; N351-D370 WeakPolarHBondContact ND2-CB 3.39Å; N351-D371 HydrophobicContact CB-CB 3.86Å
352	E	94.3	Very high	97.5	Very high	44 Å²	44	38.8 Å²	38.8	21%	0.206	23%	0.227	C	C	.	.			trans	-52.2	136.5	-177.5	-53	-166.8	165.1	0	0	112.2	T328 S369 D370	T328-E352 HydrophobicContact CG2-CB 4.36Å; T328-E352 VanDerWaalsContact CG2-CD 3.45Å; T328-E352 HydrophobicContact CG2-CG 4.02Å; T328-E352 WeakPolarHBondContact CG2-OE2 3.46Å; E352-S369 WeakPolarHBondContact O-CA 3.4Å; E352-S369 WeakPolarHBondContact O-CB 3.25Å; E352-S369 PolarHBondContact O-OG 2.65Å; E352-D370 PolarHBondContact O-N 2.92Å
353	V	98.2	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	107.6	178.4	-174.5	0	0	0	0	108.9	C326 S327 I332 H349 N351 I356 C368	C326-V353 HydrophobicContact CB-CB 3.83Å; C326-V353 HydrophobicContact CB-CG1 3.54Å; C326-V353 PolarHBondContact SG-O 3.12Å; S327-V353 PolarHBondContact O-N 3.12Å; S327-V353 VanDerWaalsContact O-N 3.13Å; I332-V353 HydrophobicContact CD1-CG1 4.2Å; I332-V353 HydrophobicContact CG1-CG1 4.14Å; H349-V353 HydrophobicContact CB-CG2 3.83Å; N351-V353 PolarHBondContact O-N 3.43Å; V353-I356 HydrophobicContact CG1-CG2 4.15Å; V353-C368 CarbonylContact C-O 3.6Å; V353-C368 WeakPolarHBondContact CG1-O 3.23Å
354	N	93.4	Very high	97.4	Very high	31 Å²	31	39 Å²	39	17%	0.166	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-39.2	-168.9	-66.4	-37.9	0	0	0	113.5	C368 D370 I395	N354-C368 PolarHBondContact N-O 3.44Å; N354-D370 PolarHBondContact ND2-OD1 3.23Å; N354-I395 PolarHBondContact ND2-O 3.27Å
355	A	98.1	Very high	97.5	Very high	7 Å²	7	37.6 Å²	37.6	6%	0.058	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	148.7	-177.2	0	0	0	0	0	112.2	D314 S367 C368 I398	D314-A355 WeakPolarHBondContact OD2-CA 3.44Å; A355-S367 WeakPolarHBondContact O-CA 3.22Å; A355-C368 PolarHBondContact O-N 3.39Å; A355-C368 VanDerWaalsContact O-N 3.08Å; A355-I398 HydrophobicContact CB-CG1 4.03Å
356	I	98.9	Very high	97.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.8	174	52.2	168.4	0	0	0	111.2	D314 A324 C326 I332 V353 L365 A366	D314-I356 HydrophobicContact CB-CG1 4.42Å; D314-I356 PolarHBondContact OD2-N 2.78Å; A324-I356 HydrophobicContact CB-CD1 3.64Å; A324-I356 WeakPolarHBondContact O-CD1 3.38Å; C326-I356 HydrophobicContact CB-CD1 4.07Å; C326-I356 HydrophobicContact CB-CG1 4.19Å; C326-I356 HydrophobicContact CB-CG2 3.64Å; I332-I356 HydrophobicContact CD1-CG2 3.9Å; I332-I356 HydrophobicContact CG1-CG2 4.15Å; I332-I356 HydrophobicContact CG2-CD1 4.36Å; I332-I356 HydrophobicContact CG2-CG2 4.31Å; V353-I356 HydrophobicContact CG1-CG2 4.15Å; I356-L365 HydrophobicContact CB-CD1 4.12Å; I356-A366 CarbonylContact C-O 3.6Å; I356-A366 VanDerWaalsContact CA-O 3.24Å; I356-A366 WeakPolarHBondContact CA-O 3.4Å
357	K	98.9	Very high	97.5	Very high	28 Å²	28	35.3 Å²	35.3	12%	0.122	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	127	176.5	-64.4	-66.1	167.4	-72.7	0	111.9	D314 D316 A366 I398 W400	D314-K357 IonicContact OD1-NZ 3.6Å; D314-K357 IonicContact OD2-NZ 2.84Å; D314-K357 PolarHBondContact OD2-NZ 3.39Å; D316-K357 WeakPolarHBondContact OD2-CA 3.43Å; K357-A366 PolarHBondContact N-O 3.47Å; K357-A366 PolarHBondContact O-N 2.94Å; K357-I398 HydrophobicContact CG-CG1 4.42Å; K357-I398 WeakPolarHBondContact CG-O 3.45Å; K357-W400 PolarHBondContact O-NE1 3.19Å
358	W	98.8	Very high	97.5	Very high	16 Å²	16	28.8 Å²	28.8	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	142.5	167.6	-71.2	99	0	0	0	109.7	D316 Q318 A324 V334 L364 L365 M379 W400	D316-W358 PolarHBondContact O-NE1 3.36Å; D316-W358 PolarHBondContact OD2-N 2.96Å; Q318-W358 HydrophobicContact CB-CD2 3.83Å; Q318-W358 HydrophobicContact CB-CE3 4.48Å; Q318-W358 HydrophobicContact CB-CG 4.1Å; Q318-W358 HydrophobicContact CB-CZ2 3.9Å; Q318-W358 HydrophobicContact CG-CD2 3.65Å; Q318-W358 HydrophobicContact CG-CE3 3.8Å; Q318-W358 HydrophobicContact CG-CG 4.24Å; Q318-W358 HydrophobicContact CG-CH2 4.01Å; Q318-W358 HydrophobicContact CG-CZ2 3.86Å; Q318-W358 HydrophobicContact CG-CZ3 3.98Å; A324-W358 HydrophobicContact CB-CZ2 4.02Å; V334-W358 HydrophobicContact CG1-CZ2 4.15Å; V334-W358 HydrophobicContact CG2-CH2 4.32Å; V334-W358 HydrophobicContact CG2-CZ2 4.02Å; W358-L364 WeakPolarHBondContact CA-O 3.49Å; W358-L365 HydrophobicContact CD2-CB 4.22Å; W358-L365 HydrophobicContact CD2-CD1 3.83Å; W358-L365 HydrophobicContact CE3-CB 3.95Å; W358-L365 HydrophobicContact CE3-CD1 4.41Å; W358-L365 HydrophobicContact CG-CD1 3.95Å; W358-L365 HydrophobicContact CH2-CB 4.13Å; W358-L365 HydrophobicContact CH2-CD2 4.46Å; W358-L365 HydrophobicContact CZ2-CB 4.38Å; W358-L365 HydrophobicContact CZ2-CD1 4.38Å; W358-L365 HydrophobicContact CZ2-CD2 4.12Å; W358-L365 HydrophobicContact CZ3-CB 3.9Å; W358-M379 HydrophobicContact CH2-CG 4.12Å; W358-M379 HydrophobicContact CH2-SD 4.08Å; W358-W400 VanDerWaalsContact O-CD1 3.23Å
359	D	98.3	Very high	97.6	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.048	15%	0.153	C	C	.	.			trans	-67.2	164.1	170.2	86.7	-69.7	0	0	0	110.5	T361 G362 N363 L364 W400 L414	D359-T361 PolarHBondContact O-N 3.19Å; D359-T361 PolarHBondContact OD1-OG1 3.27Å; D359-T361 VanDerWaalsContact OD2-CB 3.29Å; D359-T361 WeakPolarHBondContact OD2-CB 3.45Å; D359-T361 PolarHBondContact OD2-N 3.18Å; D359-T361 PolarHBondContact OD2-OG1 2.8Å; D359-G362 PolarHBondContact O-N 2.98Å; D359-G362 PolarHBondContact OD1-N 3.17Å; D359-G362 VanDerWaalsContact OD1-N 3.11Å; D359-N363 PolarHBondContact OD1-N 3.18Å; D359-L364 HydrophobicContact CB-CB 4.15Å; D359-L364 PolarHBondContact N-O 3.27Å; D359-L364 PolarHBondContact OD1-N 3.35Å; D359-W400 HydrophobicContact CB-CD2 4.02Å; D359-W400 HydrophobicContact CB-CE3 4.41Å; D359-W400 HydrophobicContact CB-CG 4.41Å; D359-W400 HydrophobicContact CB-CH2 4.3Å; D359-W400 HydrophobicContact CB-CZ2 3.97Å; D359-L414 HydrophobicContact CB-CD2 4.35Å
360	P	96.9	Very high	97.4	Very high	54 Å²	54	27.5 Å²	27.5	35%	0.351	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.1	-178.1	-26.4	35.4	0	0	0	115.1	T407 L414	P360-T407 HydrophobicContact CB-CG2 3.42Å; P360-T407 VanDerWaalsContact CB-CG2 3.42Å; P360-T407 HydrophobicContact CG-CG2 3.79Å; P360-L414 HydrophobicContact CG-CD1 4.01Å
361	T	96.1	Very high	97.4	Very high	62 Å²	62	24.1 Å²	24.1	38%	0.38	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-13.4	177.1	74.2	0	0	0	0	113.8	D359 N363 P405	D359-T361 PolarHBondContact O-N 3.19Å; D359-T361 PolarHBondContact OD1-OG1 3.27Å; D359-T361 VanDerWaalsContact OD2-CB 3.29Å; D359-T361 WeakPolarHBondContact OD2-CB 3.45Å; D359-T361 PolarHBondContact OD2-N 3.18Å; D359-T361 PolarHBondContact OD2-OG1 2.8Å; T361-N363 VanDerWaalsContact C-N 3.3Å; T361-N363 WeakPolarHBondContact CB-ND2 3.31Å; T361-N363 WeakPolarHBondContact OG1-CB 3.47Å; T361-N363 PolarHBondContact OG1-ND2 3.28Å; T361-P405 HydrophobicContact CG2-CB 4.26Å; T361-P405 WeakPolarHBondContact CG2-O 3.24Å
362	G	96.9	Very high	97.5	Very high	9 Å²	9	24 Å²	24	9%	0.093	13%	0.131	C	C	.	.	S	Bend	trans	72	19.5	-176.6	0	0	0	0	0	114.3	Q318 D359	Q318-G362 PolarHBondContact NE2-O 3.15Å; D359-G362 PolarHBondContact O-N 2.98Å; D359-G362 PolarHBondContact OD1-N 3.17Å; D359-G362 VanDerWaalsContact OD1-N 3.11Å
363	N	96.5	Very high	97.7	Very high	98 Å²	98	22.4 Å²	22.4	52%	0.524	13%	0.125	S	C	.	.	S	Bend	trans	-98.3	-31.3	-178	-71.3	-48.8	0	0	0	113.3	D359 T361	D359-N363 PolarHBondContact OD1-N 3.18Å; T361-N363 VanDerWaalsContact C-N 3.3Å; T361-N363 WeakPolarHBondContact CB-ND2 3.31Å; T361-N363 WeakPolarHBondContact OG1-CB 3.47Å; T361-N363 PolarHBondContact OG1-ND2 3.28Å
364	L	98.1	Very high	97.7	Very high	29 Å²	29	22.4 Å²	22.4	15%	0.152	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.3	179.6	-60	179.4	0	0	0	109.6	W358 D359 I376 W377 I385 W400 V430	W358-L364 WeakPolarHBondContact CA-O 3.49Å; D359-L364 HydrophobicContact CB-CB 4.15Å; D359-L364 PolarHBondContact N-O 3.27Å; D359-L364 PolarHBondContact OD1-N 3.35Å; L364-I376 HydrophobicContact CB-CG2 4.33Å; L364-I376 HydrophobicContact CD1-CG2 4.37Å; L364-I376 HydrophobicContact CD2-CG2 4.27Å; L364-W377 WeakPolarHBondContact CA-O 3.28Å; L364-I385 HydrophobicContact CD2-CD1 3.64Å; L364-W400 HydrophobicContact CB-CH2 4.49Å; L364-W400 HydrophobicContact CB-CZ2 4.29Å; L364-W400 HydrophobicContact CD1-CH2 4.31Å; L364-V430 HydrophobicContact CD1-CG1 4.42Å
365	L	98.8	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.5	170.9	-177.8	62.2	0	0	0	107.6	A324 I332 F346 I356 W358 I376 W377	A324-L365 HydrophobicContact CB-CD1 4.21Å; A324-L365 HydrophobicContact CB-CD2 3.68Å; I332-L365 HydrophobicContact CG2-CD2 3.75Å; F346-L365 HydrophobicContact CD2-CD2 4.23Å; F346-L365 HydrophobicContact CE2-CD2 4.14Å; I356-L365 HydrophobicContact CB-CD1 4.12Å; W358-L365 HydrophobicContact CD2-CB 4.22Å; W358-L365 HydrophobicContact CD2-CD1 3.83Å; W358-L365 HydrophobicContact CE3-CB 3.95Å; W358-L365 HydrophobicContact CE3-CD1 4.41Å; W358-L365 HydrophobicContact CG-CD1 3.95Å; W358-L365 HydrophobicContact CH2-CB 4.13Å; W358-L365 HydrophobicContact CH2-CD2 4.46Å; W358-L365 HydrophobicContact CZ2-CB 4.38Å; W358-L365 HydrophobicContact CZ2-CD1 4.38Å; W358-L365 HydrophobicContact CZ2-CD2 4.12Å; W358-L365 HydrophobicContact CZ3-CB 3.9Å; L365-I376 CarbonylContact O-C 3.56Å; L365-I376 WeakPolarHBondContact O-CA 3.45Å; L365-W377 HydrophobicContact CB-CB 4.27Å; L365-W377 PolarHBondContact N-O 3.26Å; L365-W377 VanDerWaalsContact O-CD1 3.22Å; L365-W377 PolarHBondContact O-N 3.04Å
366	A	98.9	Very high	98	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.7	169.3	0	0	0	0	0	109.7	I356 K357 K375 I376 I398 W400 L416	I356-A366 CarbonylContact C-O 3.6Å; I356-A366 VanDerWaalsContact CA-O 3.24Å; I356-A366 WeakPolarHBondContact CA-O 3.4Å; K357-A366 PolarHBondContact N-O 3.47Å; K357-A366 PolarHBondContact O-N 2.94Å; A366-K375 CarbonylContact C-O 3.52Å; A366-K375 WeakPolarHBondContact CA-O 3.41Å; A366-I376 HydrophobicContact CB-CD1 3.7Å; A366-I398 VanDerWaalsContact C-CD1 3.47Å; A366-I398 HydrophobicContact CB-CD1 3.78Å; A366-I398 WeakPolarHBondContact O-CD1 3.45Å; A366-W400 HydrophobicContact CB-CZ2 3.8Å; A366-L416 HydrophobicContact CB-CD1 4.07Å; A366-L416 HydrophobicContact CB-CD2 3.71Å
367	S	98.9	Very high	98	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.9	172.3	64.2	0	0	0	0	111.9	I332 H349 A355 L374 K375 W377	I332-S367 VanDerWaalsContact CD1-CB 3.43Å; H349-S367 PolarHBondContact NE2-OG 2.57Å; A355-S367 WeakPolarHBondContact O-CA 3.22Å; S367-L374 WeakPolarHBondContact O-CA 3.47Å; S367-K375 PolarHBondContact N-O 2.97Å; S367-K375 PolarHBondContact O-N 3.34Å; S367-W377 PolarHBondContact OG-NE1 3.15Å
368	C	98.7	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.2	172.2	72.7	0	0	0	0	111.5	V353 N354 A355 I395 I398	V353-C368 CarbonylContact C-O 3.6Å; V353-C368 WeakPolarHBondContact CG1-O 3.23Å; N354-C368 PolarHBondContact N-O 3.44Å; A355-C368 PolarHBondContact O-N 3.39Å; A355-C368 VanDerWaalsContact O-N 3.08Å; C368-I395 HydrophobicContact CB-CB 3.78Å; C368-I395 HydrophobicContact CB-CD1 4.49Å; C368-I395 HydrophobicContact CB-CG2 3.46Å; C368-I395 VanDerWaalsContact CB-CG2 3.46Å; C368-I395 PolarHBondContact SG-O 3.34Å; C368-I395 VanDerWaalsContact SG-O 3.36Å; C368-I398 HydrophobicContact CB-CD1 4.46Å; C368-I398 HydrophobicContact CB-CG1 4.49Å; C368-I398 HydrophobicContact CB-CG2 3.67Å
369	S	98.6	Very high	97.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	163	-168.1	172.3	0	0	0	0	112.7	H349 N351 E352 D371 M372 T373 I395	H349-S369 WeakPolarHBondContact ND1-CB 3.38Å; N351-S369 PolarHBondContact O-OG 2.96Å; E352-S369 WeakPolarHBondContact O-CA 3.4Å; E352-S369 WeakPolarHBondContact O-CB 3.25Å; E352-S369 PolarHBondContact O-OG 2.65Å; S369-D371 VanDerWaalsContact CB-OD1 3.29Å; S369-D371 WeakPolarHBondContact CB-OD1 3.36Å; S369-D371 PolarHBondContact O-N 3.29Å; S369-D371 VanDerWaalsContact OG-CG 3.26Å; S369-D371 PolarHBondContact OG-N 3.39Å; S369-D371 VanDerWaalsContact OG-N 3.09Å; S369-D371 PolarHBondContact OG-OD1 3.06Å; S369-M372 PolarHBondContact O-N 3.12Å; S369-T373 PolarHBondContact N-O 3.48Å; S369-I395 PolarHBondContact O-N 3.4Å
370	D	95.5	Very high	97.9	Very high	32 Å²	32	30.9 Å²	30.9	17%	0.171	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.2	166.5	-76.8	3.6	0	0	0	113.1	N351 E352 N354 M372 E394	N351-D370 HydrophobicContact CB-CB 3.96Å; N351-D370 WeakPolarHBondContact ND2-CB 3.39Å; E352-D370 PolarHBondContact O-N 2.92Å; N354-D370 PolarHBondContact ND2-OD1 3.23Å; D370-M372 PolarHBondContact O-N 2.77Å; D370-E394 HydrophobicContact CB-CB 4.4Å; D370-E394 HydrophobicContact CB-CG 3.84Å; D370-E394 WeakPolarHBondContact OD1-CB 3.29Å
371	D	96.9	Very high	97.8	Very high	22 Å²	22	32.2 Å²	32.2	12%	0.118	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	6	171.1	71.4	16.7	0	0	0	113.9	H349 S350 N351 S369 T373	H349-D371 WeakPolarHBondContact CA-OD2 3.47Å; H349-D371 WeakPolarHBondContact CB-OD2 3.33Å; H349-D371 IonicContact CE1-OD1 2.76Å; H349-D371 IonicContact CE1-OD2 2.61Å; H349-D371 IonicContact CG-OD2 2.67Å; H349-D371 IonicContact ND1-OD1 3.1Å; H349-D371 PolarHBondContact ND1-OD1 2.69Å; H349-D371 IonicContact ND1-OD2 2.58Å; H349-D371 PolarHBondContact ND1-OD2 3.48Å; S350-D371 PolarHBondContact N-OD2 2.58Å; S350-D371 WeakPolarHBondContact OG-CB 3.36Å; N351-D371 HydrophobicContact CB-CB 3.86Å; S369-D371 VanDerWaalsContact CB-OD1 3.29Å; S369-D371 WeakPolarHBondContact CB-OD1 3.36Å; S369-D371 PolarHBondContact O-N 3.29Å; S369-D371 VanDerWaalsContact OG-CG 3.26Å; S369-D371 PolarHBondContact OG-N 3.39Å; S369-D371 VanDerWaalsContact OG-N 3.09Å; S369-D371 PolarHBondContact OG-OD1 3.06Å; D371-T373 VanDerWaalsContact CG-OG1 3.31Å; D371-T373 PolarHBondContact O-N 3.17Å; D371-T373 WeakPolarHBondContact OD1-CA 3.31Å; D371-T373 VanDerWaalsContact OD1-CB 3.31Å; D371-T373 WeakPolarHBondContact OD1-CB 3.49Å; D371-T373 PolarHBondContact OD1-N 2.79Å; D371-T373 PolarHBondContact OD1-OG1 2.86Å; D371-T373 PolarHBondContact OD2-OG1 3.43Å
372	M	97.7	Very high	97.7	Very high	62 Å²	62	35 Å²	35	31%	0.305	18%	0.176	S	C	.	.	S	Bend	trans	68.8	10.8	176.5	-40.1	175	-177.4	0	0	113.9	S369 D370 Q389 A390 H391 S392 I395	S369-M372 PolarHBondContact O-N 3.12Å; D370-M372 PolarHBondContact O-N 2.77Å; M372-Q389 PolarHBondContact O-NE2 3.12Å; M372-A390 PolarHBondContact O-N 2.85Å; M372-H391 PolarHBondContact O-N 3.48Å; M372-S392 VanDerWaalsContact SD-O 3.38Å; M372-I395 WeakPolarHBondContact O-CD1 3.36Å
373	T	98.6	Very high	97.6	Very high	12 Å²	12	38.4 Å²	38.4	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	148.1	179	74	0	0	0	0	112.9	H349 S369 D371 K375 L388	H349-T373 PolarHBondContact CE1-OG1 2.79Å; H349-T373 VanDerWaalsContact CE1-OG1 3.31Å; H349-T373 PolarHBondContact ND1-OG1 2.9Å; S369-T373 PolarHBondContact N-O 3.48Å; D371-T373 VanDerWaalsContact CG-OG1 3.31Å; D371-T373 PolarHBondContact O-N 3.17Å; D371-T373 WeakPolarHBondContact OD1-CA 3.31Å; D371-T373 VanDerWaalsContact OD1-CB 3.31Å; D371-T373 WeakPolarHBondContact OD1-CB 3.49Å; D371-T373 PolarHBondContact OD1-N 2.79Å; D371-T373 PolarHBondContact OD1-OG1 2.86Å; D371-T373 PolarHBondContact OD2-OG1 3.43Å; T373-K375 WeakPolarHBondContact OG1-CE 3.47Å; T373-K375 PolarHBondContact OG1-NZ 2.77Å; T373-L388 WeakPolarHBondContact CA-O 3.23Å
374	L	98.6	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.2	166.2	-170.2	152.2	0	0	0	108.1	S367 I376 L388 A390 I395 I398 L416	S367-L374 WeakPolarHBondContact O-CA 3.47Å; L374-I376 HydrophobicContact CD2-CD1 3.6Å; L374-I376 HydrophobicContact CD2-CG1 4.15Å; L374-L388 HydrophobicContact CB-CB 4.32Å; L374-L388 HydrophobicContact CD2-CD1 3.97Å; L374-L388 PolarHBondContact N-O 2.58Å; L374-L388 WeakPolarHBondContact O-CB 3.27Å; L374-L388 PolarHBondContact O-N 2.84Å; L374-A390 HydrophobicContact CB-CB 3.77Å; L374-I395 HydrophobicContact CB-CD1 4.47Å; L374-I398 HydrophobicContact CD1-CG2 3.6Å; L374-I398 HydrophobicContact CG-CG2 4.43Å; L374-L416 HydrophobicContact CD1-CD2 3.76Å; L374-L416 HydrophobicContact CD1-CG 4.28Å; L374-L416 HydrophobicContact CD2-CD2 3.45Å; L374-L416 VanDerWaalsContact CD2-CD2 3.45Å; L374-L416 HydrophobicContact CG-CD2 4.17Å
375	K	98.8	Very high	97.6	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.7	-179.4	-63	-177.4	-163.5	-65.8	0	111.4	G348 H349 A366 S367 T373 W377 C384 H386 D387	G348-K375 VanDerWaalsContact O-CE 3.26Å; G348-K375 WeakPolarHBondContact O-CE 3.07Å; H349-K375 WeakPolarHBondContact ND1-CE 3.45Å; A366-K375 CarbonylContact C-O 3.52Å; A366-K375 WeakPolarHBondContact CA-O 3.41Å; S367-K375 PolarHBondContact N-O 2.97Å; S367-K375 PolarHBondContact O-N 3.34Å; T373-K375 WeakPolarHBondContact OG1-CE 3.47Å; T373-K375 PolarHBondContact OG1-NZ 2.77Å; K375-W377 HydrophobicContact CB-CH2 4.46Å; K375-W377 HydrophobicContact CB-CZ2 3.63Å; K375-W377 HydrophobicContact CD-CH2 3.82Å; K375-W377 HydrophobicContact CD-CZ2 3.56Å; K375-W377 HydrophobicContact CG-CZ2 4.23Å; K375-C384 HydrophobicContact CB-CB 4.21Å; K375-H386 WeakPolarHBondContact CA-O 3.15Å; K375-D387 IonicContact NZ-OD1 2.84Å; K375-D387 PolarHBondContact NZ-OD1 3.34Å; K375-D387 IonicContact NZ-OD2 3.49Å; K375-D387 PolarHBondContact NZ-OD2 3.49Å
376	I	98.7	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.7	176.7	-53	-64	0	0	0	108.8	L364 L365 A366 L374 C384 I385 H386 W400 L416 V430	L364-I376 HydrophobicContact CB-CG2 4.33Å; L364-I376 HydrophobicContact CD1-CG2 4.37Å; L364-I376 HydrophobicContact CD2-CG2 4.27Å; L365-I376 CarbonylContact O-C 3.56Å; L365-I376 WeakPolarHBondContact O-CA 3.45Å; A366-I376 HydrophobicContact CB-CD1 3.7Å; L374-I376 HydrophobicContact CD2-CD1 3.6Å; L374-I376 HydrophobicContact CD2-CG1 4.15Å; I376-C384 CarbonylContact O-C 3.59Å; I376-C384 WeakPolarHBondContact O-CA 3.24Å; I376-C384 WeakPolarHBondContact O-CB 3.42Å; I376-I385 PolarHBondContact O-N 3Å; I376-H386 HydrophobicContact CB-CB 4.05Å; I376-H386 HydrophobicContact CG1-CB 3.95Å; I376-H386 PolarHBondContact N-O 3.26Å; I376-W400 HydrophobicContact CD1-CH2 4.36Å; I376-W400 HydrophobicContact CD1-CZ2 4.23Å; I376-L416 HydrophobicContact CD1-CD2 3.67Å; I376-V430 HydrophobicContact CB-CG1 4.33Å; I376-V430 HydrophobicContact CD1-CG1 3.88Å; I376-V430 HydrophobicContact CD1-CG2 4.11Å; I376-V430 HydrophobicContact CG1-CG1 3.69Å; I376-V430 HydrophobicContact CG2-CG1 3.86Å
377	W	98.7	Very high	97.5	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.2	-173.9	-44.7	89.8	0	0	0	110.9	I332 F346 L364 L365 S367 K375 C384	I332-W377 HydrophobicContact CD1-CZ2 4.22Å; F346-W377 HydrophobicContact CB-CD2 3.81Å; F346-W377 HydrophobicContact CB-CE3 3.57Å; F346-W377 HydrophobicContact CB-CG 4.43Å; F346-W377 HydrophobicContact CB-CH2 4.17Å; F346-W377 HydrophobicContact CB-CZ2 4.38Å; F346-W377 HydrophobicContact CB-CZ3 3.76Å; F346-W377 HydrophobicContact CD1-CB 4.01Å; F346-W377 HydrophobicContact CD1-CD2 4.01Å; F346-W377 AromaticContact CD1-CE3 3.48Å; F346-W377 HydrophobicContact CD1-CE3 3.48Å; F346-W377 VanDerWaalsContact CD1-CE3 3.48Å; F346-W377 HydrophobicContact CD1-CG 4.26Å; F346-W377 HydrophobicContact CD1-CZ3 4.23Å; F346-W377 HydrophobicContact CD2-CB 3.99Å; F346-W377 HydrophobicContact CD2-CD2 4.36Å; F346-W377 HydrophobicContact CD2-CG 4.12Å; F346-W377 HydrophobicContact CE1-CB 3.79Å; F346-W377 HydrophobicContact CE1-CE3 4.27Å; F346-W377 HydrophobicContact CE2-CB 3.8Å; F346-W377 HydrophobicContact CE2-CG 4.41Å; F346-W377 HydrophobicContact CG-CB 4.1Å; F346-W377 AromaticContact CG-CD2 3.83Å; F346-W377 HydrophobicContact CG-CD2 3.83Å; F346-W377 AromaticContact CG-CE3 3.67Å; F346-W377 HydrophobicContact CG-CE3 3.67Å; F346-W377 HydrophobicContact CG-CG 4.04Å; F346-W377 HydrophobicContact CG-CZ3 4.33Å; F346-W377 HydrophobicContact CZ-CB 3.69Å; L364-W377 WeakPolarHBondContact CA-O 3.28Å; L365-W377 HydrophobicContact CB-CB 4.27Å; L365-W377 PolarHBondContact N-O 3.26Å; L365-W377 VanDerWaalsContact O-CD1 3.22Å; L365-W377 PolarHBondContact O-N 3.04Å; S367-W377 PolarHBondContact OG-NE1 3.15Å; K375-W377 HydrophobicContact CB-CH2 4.46Å; K375-W377 HydrophobicContact CB-CZ2 3.63Å; K375-W377 HydrophobicContact CD-CH2 3.82Å; K375-W377 HydrophobicContact CD-CZ2 3.56Å; K375-W377 HydrophobicContact CG-CZ2 4.23Å; W377-C384 HydrophobicContact CD2-CB 4.19Å; W377-C384 HydrophobicContact CE3-CB 3.77Å; W377-C384 HydrophobicContact CH2-CB 4.17Å; W377-C384 HydrophobicContact CZ3-CB 3.77Å
378	S	98	Very high	97.4	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.084	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.7	167.7	178.9	0	0	0	0	110	F346 K380 Q381	F346-S378 WeakPolarHBondContact CE1-O 3.21Å; S378-K380 PolarHBondContact O-N 3.43Å; S378-K380 PolarHBondContact OG-N 3.22Å; S378-Q381 PolarHBondContact O-N 2.93Å
379	M	97.9	Very high	97.3	Very high	57 Å²	57	50.1 Å²	50.1	28%	0.281	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.8	175.6	-64.1	-60.3	-72	0	0	113.5	V334 I343 K344 F346 W358	V334-M379 HydrophobicContact CB-CE 4.18Å; V334-M379 HydrophobicContact CB-SD 4.19Å; V334-M379 HydrophobicContact CG1-CE 3.9Å; V334-M379 HydrophobicContact CG1-SD 4.06Å; V334-M379 HydrophobicContact CG2-CE 4.43Å; V334-M379 HydrophobicContact CG2-SD 3.79Å; I343-M379 HydrophobicContact CG2-CE 3.72Å; K344-M379 HydrophobicContact CB-CE 3.61Å; K344-M379 HydrophobicContact CB-SD 4.1Å; K344-M379 HydrophobicContact CD-CE 3.88Å; K344-M379 HydrophobicContact CD-SD 3.69Å; K344-M379 HydrophobicContact CG-CE 4.4Å; F346-M379 HydrophobicContact CE2-SD 4.18Å; F346-M379 HydrophobicContact CZ-SD 3.94Å; W358-M379 HydrophobicContact CH2-CG 4.12Å; W358-M379 HydrophobicContact CH2-SD 4.08Å
380	K	97.6	Very high	97.1	Very high	191 Å²	191	50.1 Å²	50.1	83%	0.83	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-19.3	-176.7	-63.4	178.9	-177.8	173.7	0	114.4	S378	S378-K380 PolarHBondContact O-N 3.43Å; S378-K380 PolarHBondContact OG-N 3.22Å
381	Q	95.8	Very high	97.2	Very high	81 Å²	81	48.9 Å²	48.9	38%	0.379	25%	0.25	S	S	.	.			trans	-145.9	162.6	-176.4	59.2	-179.9	59.7	0	0	111.2	K344 S378 S383	K344-Q381 WeakPolarHBondContact CE-O 3.23Å; K344-Q381 PolarHBondContact NZ-O 2.89Å; S378-Q381 PolarHBondContact O-N 2.93Å; Q381-S383 WeakPolarHBondContact CG-O 3.32Å; Q381-S383 PolarHBondContact NE2-O 3.38Å
382	D	94.2	Very high	97.1	Very high	121 Å²	121	51.6 Å²	51.6	65%	0.647	27%	0.271	S	S	*	.	S	Bend	trans	-89	-37.7	-178.1	-65	-25	0	0	0	112.7	K344	K344-D382 IonicContact NZ-OD1 3.21Å; K344-D382 PolarHBondContact NZ-OD1 3.39Å
383	S	95.3	Very high	97	Very high	80 Å²	80	53 Å²	53	56%	0.559	28%	0.275	S	S	*	.	S	Bend	trans	-74.1	146.6	175.2	57.9	0	0	0	0	111.3	Q381 I385	Q381-S383 WeakPolarHBondContact CG-O 3.32Å; Q381-S383 PolarHBondContact NE2-O 3.38Å; S383-I385 PolarHBondContact O-N 3.08Å
384	C	96.9	Very high	96.8	Very high	31 Å²	31	55.1 Å²	55.1	21%	0.209	28%	0.284	C	S	.	.			trans	-56.5	140.8	170.2	56.9	0	0	0	0	110.6	K375 I376 W377	K375-C384 HydrophobicContact CB-CB 4.21Å; I376-C384 CarbonylContact O-C 3.59Å; I376-C384 WeakPolarHBondContact O-CA 3.24Å; I376-C384 WeakPolarHBondContact O-CB 3.42Å; W377-C384 HydrophobicContact CD2-CB 4.19Å; W377-C384 HydrophobicContact CE3-CB 3.77Å; W377-C384 HydrophobicContact CH2-CB 4.17Å; W377-C384 HydrophobicContact CZ3-CB 3.77Å
385	I	97.2	Very high	96.7	Very high	64 Å²	64	55.1 Å²	55.1	33%	0.328	28%	0.284	S	S	.	.	S	Bend	trans	-68.1	-45	173.4	-62.7	171.6	0	0	0	109.1	L364 I376 S383	L364-I385 HydrophobicContact CD2-CD1 3.64Å; I376-I385 PolarHBondContact O-N 3Å; S383-I385 PolarHBondContact O-N 3.08Å
386	H	97.5	Very high	96.3	Very high	47 Å²	47	57.6 Å²	57.6	22%	0.218	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.1	176.2	-64.3	-63.5	0	0	0	110	K375 I376 L388 V430	K375-H386 WeakPolarHBondContact CA-O 3.15Å; I376-H386 HydrophobicContact CB-CB 4.05Å; I376-H386 HydrophobicContact CG1-CB 3.95Å; I376-H386 PolarHBondContact N-O 3.26Å; H386-L388 HydrophobicContact CB-CD2 4.03Å; H386-L388 HydrophobicContact CB-CG 4.08Å; H386-V430 PolarHBondContact CD2-O 3.25Å; H386-V430 VanDerWaalsContact CD2-O 3.29Å; H386-V430 PolarHBondContact NE2-O 3.49Å; H386-V430 VanDerWaalsContact NE2-O 3.07Å
387	D	97.9	Very high	96.2	Very high	92 Å²	92	58.3 Å²	58.3	49%	0.492	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	98.5	170.4	-168.2	-3.4	0	0	0	107.6	K375	K375-D387 IonicContact NZ-OD1 2.84Å; K375-D387 PolarHBondContact NZ-OD1 3.34Å; K375-D387 IonicContact NZ-OD2 3.49Å; K375-D387 PolarHBondContact NZ-OD2 3.49Å
388	L	97.2	Very high	96.2	Very high	16 Å²	16	58.2 Å²	58.2	8%	0.084	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.7	-170.6	-53.3	177.1	0	0	0	108.5	T373 L374 H386 A390 W428	T373-L388 WeakPolarHBondContact CA-O 3.23Å; L374-L388 HydrophobicContact CB-CB 4.32Å; L374-L388 HydrophobicContact CD2-CD1 3.97Å; L374-L388 PolarHBondContact N-O 2.58Å; L374-L388 WeakPolarHBondContact O-CB 3.27Å; L374-L388 PolarHBondContact O-N 2.84Å; H386-L388 HydrophobicContact CB-CD2 4.03Å; H386-L388 HydrophobicContact CB-CG 4.08Å; L388-A390 PolarHBondContact O-N 3.48Å; L388-W428 HydrophobicContact CB-CH2 4.45Å; L388-W428 HydrophobicContact CB-CZ3 4.28Å; L388-W428 HydrophobicContact CD1-CD2 4.2Å; L388-W428 HydrophobicContact CD1-CE3 3.79Å; L388-W428 HydrophobicContact CD1-CZ3 4.16Å
389	Q	95.9	Very high	96.2	Very high	124 Å²	124	60.1 Å²	60.1	58%	0.579	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	82.9	167.1	-170.3	65	47.1	0	0	108.5	M372 H391	M372-Q389 PolarHBondContact O-NE2 3.12Å; Q389-H391 PolarHBondContact NE2-O 2.84Å
390	A	93.6	Very high	96.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.295	C	S	.	.			trans	-84.4	-35.3	-161.7	0	0	0	0	0	111.9	M372 L374 L388 I395 R426 W428	M372-A390 PolarHBondContact O-N 2.85Å; L374-A390 HydrophobicContact CB-CB 3.77Å; L388-A390 PolarHBondContact O-N 3.48Å; A390-I395 HydrophobicContact CB-CD1 3.77Å; A390-R426 WeakPolarHBondContact O-CD 3.13Å; A390-R426 PolarHBondContact O-NE 2.98Å; A390-R426 PolarHBondContact O-NH1 3.25Å; A390-W428 HydrophobicContact CB-CH2 4.01Å; A390-W428 HydrophobicContact CB-CZ2 3.45Å; A390-W428 VanDerWaalsContact CB-CZ2 3.45Å
391	H	97.4	Very high	96.3	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.028	26%	0.256	C	S	.	.			trans	-139.2	170	-174.3	-71.6	-90	0	0	0	111.7	M372 Q389 K393 I395 S418 S420 D422 T424	M372-H391 PolarHBondContact O-N 3.48Å; Q389-H391 PolarHBondContact NE2-O 2.84Å; H391-K393 WeakPolarHBondContact CB-O 3.28Å; H391-I395 HydrophobicContact CB-CD1 4.29Å; H391-I395 HydrophobicContact CB-CG1 3.9Å; H391-S418 PolarHBondContact NE2-OG 3.25Å; H391-S420 WeakPolarHBondContact ND1-CB 3.02Å; H391-D422 WeakPolarHBondContact CB-OD2 3.46Å; H391-D422 IonicContact CG-OD2 3.86Å; H391-D422 IonicContact ND1-OD1 3.07Å; H391-D422 PolarHBondContact ND1-OD1 2.76Å; H391-D422 IonicContact ND1-OD2 3.72Å; H391-T424 PolarHBondContact CE1-O 3.36Å; H391-T424 PolarHBondContact CE1-OG1 3.08Å; H391-T424 VanDerWaalsContact CE1-OG1 3.27Å; H391-T424 PolarHBondContact ND1-OG1 3.2Å
392	S	96.6	Very high	96.4	Very high	79 Å²	79	47.6 Å²	47.6	55%	0.552	25%	0.251	S	S	*	.	S	Bend	trans	-93.7	-5.7	176.6	62.7	0	0	0	0	113.5	M372 D422	M372-S392 VanDerWaalsContact SD-O 3.38Å; S392-D422 PolarHBondContact N-OD2 3.15Å; S392-D422 VanDerWaalsContact OG-CB 3.27Å; S392-D422 WeakPolarHBondContact OG-CB 3.46Å; S392-D422 PolarHBondContact OG-OD2 2.74Å
393	K	95.2	Very high	96.5	Very high	90 Å²	90	41.9 Å²	41.9	39%	0.391	22%	0.221	S	C	.	.	S	Bend	trans	-144.3	-177.9	175.2	-58.5	-167.6	-172.9	176.2	0	109.9	H391 S420 F421 D422	H391-K393 WeakPolarHBondContact CB-O 3.28Å; K393-S420 PolarHBondContact O-OG 3.04Å; K393-F421 HydrophobicContact CB-CB 4.18Å; K393-F421 HydrophobicContact CB-CD1 4.36Å; K393-F421 HydrophobicContact CD-CD1 3.52Å; K393-F421 HydrophobicContact CD-CE1 4.17Å; K393-D422 HydrophobicContact CB-CB 3.89Å; K393-D422 HydrophobicContact CD-CB 4.23Å; K393-D422 HydrophobicContact CG-CB 3.87Å
394	E	94.8	Very high	96.5	Very high	58 Å²	58	38.2 Å²	38.2	27%	0.271	20%	0.195	S	C	.	.			trans	-52	141.5	-176.8	-60.8	79.3	-172.9	0	0	112.1	D370 Y396 S420 F421	D370-E394 HydrophobicContact CB-CB 4.4Å; D370-E394 HydrophobicContact CB-CG 3.84Å; D370-E394 WeakPolarHBondContact OD1-CB 3.29Å; E394-Y396 HydrophobicContact CB-CE1 4Å; E394-S420 VanDerWaalsContact O-CA 3.24Å; E394-S420 WeakPolarHBondContact O-CA 3.27Å; E394-S420 VanDerWaalsContact O-CB 3.23Å; E394-S420 WeakPolarHBondContact O-CB 3.45Å; E394-S420 PolarHBondContact O-OG 3.42Å; E394-F421 HydrophobicContact CB-CB 4.38Å; E394-F421 PolarHBondContact O-N 2.86Å
395	I	96.4	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118	-179.3	-51.4	171.1	0	0	0	109.1	N354 C368 S369 M372 L374 A390 H391 A419	N354-I395 PolarHBondContact ND2-O 3.27Å; C368-I395 HydrophobicContact CB-CB 3.78Å; C368-I395 HydrophobicContact CB-CD1 4.49Å; C368-I395 HydrophobicContact CB-CG2 3.46Å; C368-I395 VanDerWaalsContact CB-CG2 3.46Å; C368-I395 PolarHBondContact SG-O 3.34Å; C368-I395 VanDerWaalsContact SG-O 3.36Å; S369-I395 PolarHBondContact O-N 3.4Å; M372-I395 WeakPolarHBondContact O-CD1 3.36Å; L374-I395 HydrophobicContact CB-CD1 4.47Å; A390-I395 HydrophobicContact CB-CD1 3.77Å; H391-I395 HydrophobicContact CB-CD1 4.29Å; H391-I395 HydrophobicContact CB-CG1 3.9Å; I395-A419 VanDerWaalsContact CG2-O 3.31Å; I395-A419 WeakPolarHBondContact CG2-O 3.43Å
396	Y	89	Confident	96.1	Very high	60 Å²	60	41.7 Å²	41.7	24%	0.235	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-29.7	-172.7	-66.8	-34.9	0	0	0	114.6	E394 A419 F421 Y447	E394-Y396 HydrophobicContact CB-CE1 4Å; Y396-A419 PolarHBondContact N-O 2.84Å; Y396-F421 HydrophobicContact CE2-CB 3.82Å; Y396-F421 AromaticContact CE2-CD2 3.73Å; Y396-F421 HydrophobicContact CE2-CD2 3.73Å; Y396-F421 HydrophobicContact CE2-CG 4.26Å; Y396-F421 AromaticContact CZ-CD2 3.82Å; Y396-F421 WeakPolarHBondContact OH-CD2 3.28Å; Y396-Y447 AromaticContact CD2-CD1 3.78Å; Y396-Y447 HydrophobicContact CD2-CD1 3.78Å; Y396-Y447 AromaticContact CD2-CE1 3.76Å; Y396-Y447 HydrophobicContact CD2-CE1 3.76Å; Y396-Y447 HydrophobicContact CE2-CD1 4.11Å; Y396-Y447 AromaticContact CE2-CE1 3.58Å; Y396-Y447 HydrophobicContact CE2-CE1 3.58Å
397	T	96.6	Very high	96.1	Very high	14 Å²	14	40.9 Å²	40.9	9%	0.086	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	145.8	-172.9	-168.1	0	0	0	0	112.4	S418 A419 Y447 V449	T397-S418 WeakPolarHBondContact O-CA 3.27Å; T397-A419 HydrophobicContact CG2-CB 3.76Å; T397-A419 PolarHBondContact O-N 3.44Å; T397-Y447 WeakPolarHBondContact CG2-O 3.48Å; T397-V449 HydrophobicContact CG2-CG1 4.39Å; T397-V449 HydrophobicContact CG2-CG2 3.93Å
398	I	98.7	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.2	174.2	51.1	167.3	0	0	0	110.3	A355 K357 A366 C368 L374 L416 A417	A355-I398 HydrophobicContact CB-CG1 4.03Å; K357-I398 HydrophobicContact CG-CG1 4.42Å; K357-I398 WeakPolarHBondContact CG-O 3.45Å; A366-I398 VanDerWaalsContact C-CD1 3.47Å; A366-I398 HydrophobicContact CB-CD1 3.78Å; A366-I398 WeakPolarHBondContact O-CD1 3.45Å; C368-I398 HydrophobicContact CB-CD1 4.46Å; C368-I398 HydrophobicContact CB-CG1 4.49Å; C368-I398 HydrophobicContact CB-CG2 3.67Å; L374-I398 HydrophobicContact CD1-CG2 3.6Å; L374-I398 HydrophobicContact CG-CG2 4.43Å; I398-L416 HydrophobicContact CB-CD1 4.23Å; I398-A417 WeakPolarHBondContact CA-O 3.39Å
399	K	98.8	Very high	95.8	Very high	51 Å²	51	45 Å²	45	22%	0.222	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	135.7	174.2	-62.4	-66.4	166.5	62.4	0	110.6	L416 A417 V449 F451	K399-L416 WeakPolarHBondContact O-CD1 3.38Å; K399-A417 PolarHBondContact N-O 3.44Å; K399-A417 VanDerWaalsContact N-O 3.08Å; K399-A417 PolarHBondContact O-N 2.96Å; K399-V449 HydrophobicContact CB-CG2 4.36Å; K399-V449 HydrophobicContact CG-CG2 3.98Å; K399-V449 VanDerWaalsContact CG-O 3.29Å; K399-V449 WeakPolarHBondContact CG-O 3.36Å; K399-V449 PolarHBondContact NZ-O 3.12Å; K399-F451 HydrophobicContact CB-CD2 4.23Å; K399-F451 HydrophobicContact CB-CE2 4.44Å; K399-F451 WeakPolarHBondContact O-CE2 3.39Å
400	W	98.8	Very high	95.8	Very high	24 Å²	24	43.2 Å²	43.2	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	144.6	166.3	-67.6	100.3	0	0	0	110.3	K357 W358 D359 L364 A366 I376 L414 M415 L416 V430	K357-W400 PolarHBondContact O-NE1 3.19Å; W358-W400 VanDerWaalsContact O-CD1 3.23Å; D359-W400 HydrophobicContact CB-CD2 4.02Å; D359-W400 HydrophobicContact CB-CE3 4.41Å; D359-W400 HydrophobicContact CB-CG 4.41Å; D359-W400 HydrophobicContact CB-CH2 4.3Å; D359-W400 HydrophobicContact CB-CZ2 3.97Å; L364-W400 HydrophobicContact CB-CH2 4.49Å; L364-W400 HydrophobicContact CB-CZ2 4.29Å; L364-W400 HydrophobicContact CD1-CH2 4.31Å; A366-W400 HydrophobicContact CB-CZ2 3.8Å; I376-W400 HydrophobicContact CD1-CH2 4.36Å; I376-W400 HydrophobicContact CD1-CZ2 4.23Å; W400-L414 HydrophobicContact CE3-CD1 3.72Å; W400-L414 HydrophobicContact CE3-CD2 3.82Å; W400-L414 HydrophobicContact CE3-CG 3.66Å; W400-L414 HydrophobicContact CH2-CD2 4.37Å; W400-L414 HydrophobicContact CZ3-CD1 4.29Å; W400-L414 HydrophobicContact CZ3-CD2 3.56Å; W400-L414 HydrophobicContact CZ3-CG 3.71Å; W400-M415 CarbonylContact C-O 3.51Å; W400-M415 WeakPolarHBondContact CA-O 3.35Å; W400-L416 HydrophobicContact CD2-CB 4.46Å; W400-L416 HydrophobicContact CD2-CD1 3.89Å; W400-L416 HydrophobicContact CE3-CB 4.03Å; W400-L416 HydrophobicContact CE3-CD1 4.32Å; W400-L416 HydrophobicContact CG-CD1 4.1Å; W400-L416 HydrophobicContact CZ2-CD2 4.5Å; W400-L416 HydrophobicContact CZ3-CB 4.16Å; W400-V430 HydrophobicContact CH2-CB 3.8Å; W400-V430 HydrophobicContact CH2-CG1 3.74Å; W400-V430 HydrophobicContact CH2-CG2 3.59Å; W400-V430 HydrophobicContact CZ3-CB 3.84Å; W400-V430 HydrophobicContact CZ3-CG1 4.31Å; W400-V430 HydrophobicContact CZ3-CG2 3.55Å
401	S	98.5	Very high	95.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	29%	0.294	C	S	.	.			trans	-68	146	168.1	59.4	0	0	0	0	110.3	T403 M415	S401-T403 PolarHBondContact O-N 3.42Å; S401-T403 PolarHBondContact OG-OG1 2.85Å; S401-M415 PolarHBondContact N-O 3.48Å; S401-M415 PolarHBondContact OG-N 3.24Å; S401-M415 PolarHBondContact OG-O 3.2Å
402	P	97.4	Very high	95.6	Very high	41 Å²	41	50.3 Å²	50.3	27%	0.266	31%	0.308	S	S	.	.	S	Bend	trans	-78.5	52.3	176	34	-36.5	0	0	0	111.2	T407 N409 F451 S452 P453	P402-T407 WeakPolarHBondContact O-CB 3.26Å; P402-T407 PolarHBondContact O-OG1 3.12Å; P402-N409 PolarHBondContact O-ND2 2.92Å; P402-F451 HydrophobicContact CG-CB 4.46Å; P402-S452 VanDerWaalsContact CG-O 3.28Å; P402-S452 WeakPolarHBondContact CG-O 3.45Å; P402-P453 WeakPolarHBondContact CG-O 3.25Å
403	T	97.5	Very high	95.5	Very high	2 Å²	2	52 Å²	52	1%	0.012	31%	0.311	C	S	.	.			trans	-128.6	167.6	-175.8	58.7	0	0	0	0	111.5	S401 T407 N409 A412 N413 L414	S401-T403 PolarHBondContact O-N 3.42Å; S401-T403 PolarHBondContact OG-OG1 2.85Å; T403-T407 VanDerWaalsContact C-OG1 3.28Å; T403-T407 WeakPolarHBondContact CA-OG1 3.48Å; T403-T407 WeakPolarHBondContact O-CG2 3.5Å; T403-N409 HydrophobicContact CG2-CB 3.96Å; T403-A412 HydrophobicContact CG2-CB 3.64Å; T403-N413 WeakPolarHBondContact CB-O 3.46Å; T403-N413 PolarHBondContact OG1-O 2.96Å; T403-L414 WeakPolarHBondContact OG1-CA 3.24Å
404	G	95.2	Very high	95.5	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.031	30%	0.3	C	S	.	.	S	Bend	trans	81.7	-177.3	-178.3	0	0	0	0	0	113.6	G406 T407 N409 P410 A412	G404-G406 PolarHBondContact O-N 3.5Å; G404-T407 PolarHBondContact N-OG1 3.17Å; G404-T407 WeakPolarHBondContact O-CB 3.4Å; G404-T407 WeakPolarHBondContact O-CG2 3.12Å; G404-T407 PolarHBondContact O-N 2.92Å; G404-T407 PolarHBondContact O-OG1 2.83Å; G404-N409 PolarHBondContact N-O 2.83Å; G404-P410 WeakPolarHBondContact O-CA 3.2Å; G404-A412 WeakPolarHBondContact CA-O 3.34Å; G404-A412 PolarHBondContact N-O 3.33Å; G404-A412 VanDerWaalsContact N-O 3.12Å
405	P	94.4	Very high	95.7	Very high	89 Å²	89	47.4 Å²	47.4	58%	0.578	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	136.6	-172.7	-27.1	35.2	0	0	0	113.3	T361 T407	T361-P405 HydrophobicContact CG2-CB 4.26Å; T361-P405 WeakPolarHBondContact CG2-O 3.24Å; P405-T407 VanDerWaalsContact C-N 3.34Å
406	G	91.5	Very high	95.8	Very high	78 Å²	78	47.4 Å²	47.4	80%	0.804	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	1.6	179.8	0	0	0	0	0	115.4	G404	G404-G406 PolarHBondContact O-N 3.5Å
407	T	96.2	Very high	96.3	Very high	30 Å²	30	44.5 Å²	44.5	18%	0.184	28%	0.281	C	S	.	.	S	Bend	trans	-107	175	175.2	73.2	0	0	0	0	112.2	P360 P402 T403 G404 P405 N409	P360-T407 HydrophobicContact CB-CG2 3.42Å; P360-T407 VanDerWaalsContact CB-CG2 3.42Å; P360-T407 HydrophobicContact CG-CG2 3.79Å; P402-T407 WeakPolarHBondContact O-CB 3.26Å; P402-T407 PolarHBondContact O-OG1 3.12Å; T403-T407 VanDerWaalsContact C-OG1 3.28Å; T403-T407 WeakPolarHBondContact CA-OG1 3.48Å; T403-T407 WeakPolarHBondContact O-CG2 3.5Å; G404-T407 PolarHBondContact N-OG1 3.17Å; G404-T407 WeakPolarHBondContact O-CB 3.4Å; G404-T407 WeakPolarHBondContact O-CG2 3.12Å; G404-T407 PolarHBondContact O-N 2.92Å; G404-T407 PolarHBondContact O-OG1 2.83Å; P405-T407 VanDerWaalsContact C-N 3.34Å; T407-N409 PolarHBondContact O-N 3.32Å; T407-N409 PolarHBondContact OG1-N 2.92Å; T407-N409 VanDerWaalsContact OG1-N 3.08Å; T407-N409 PolarHBondContact OG1-O 2.97Å
408	N	94.8	Very high	96.4	Very high	159 Å²	159	43.9 Å²	43.9	85%	0.85	28%	0.277	S	S	*	.	S	Bend	trans	-71.3	-8.7	170.7	-66.3	-28.6	0	0	0	113	P410	N408-P410 WeakPolarHBondContact O-CD 3.33Å
409	N	95.7	Very high	96.3	Very high	37 Å²	37	43.9 Å²	43.9	20%	0.198	28%	0.277	C	S	.	.			trans	-124.5	60.5	-178.4	-50.7	-74.4	0	0	0	110.8	P402 T403 G404 T407 S411 A412 P453	P402-N409 PolarHBondContact O-ND2 2.92Å; T403-N409 HydrophobicContact CG2-CB 3.96Å; G404-N409 PolarHBondContact N-O 2.83Å; T407-N409 PolarHBondContact O-N 3.32Å; T407-N409 PolarHBondContact OG1-N 2.92Å; T407-N409 VanDerWaalsContact OG1-N 3.08Å; T407-N409 PolarHBondContact OG1-O 2.97Å; N409-S411 VanDerWaalsContact C-N 3.28Å; N409-S411 PolarHBondContact O-N 3.4Å; N409-A412 HydrophobicContact CB-CB 4.26Å; N409-A412 PolarHBondContact O-N 2.87Å; N409-P453 PolarHBondContact ND2-O 2.86Å; N409-P453 VanDerWaalsContact ND2-O 3.12Å
410	P	94.7	Very high	96.3	Very high	85 Å²	85	41.4 Å²	41.4	55%	0.552	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.6	-165.5	27.9	-36.8	0	0	0	115	G404 N408	G404-P410 WeakPolarHBondContact O-CA 3.2Å; N408-P410 WeakPolarHBondContact O-CD 3.33Å
411	S	93.6	Very high	96	Very high	116 Å²	116	43.3 Å²	43.3	81%	0.811	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.7	179.8	61.1	0	0	0	0	113.9	N409	N409-S411 VanDerWaalsContact C-N 3.28Å; N409-S411 PolarHBondContact O-N 3.4Å
412	A	94.4	Very high	95.8	Very high	40 Å²	40	44 Å²	44	33%	0.331	28%	0.279	S	S	.	.	S	Bend	trans	-80.7	144.1	178.1	0	0	0	0	0	109.9	T403 G404 N409 L414	T403-A412 HydrophobicContact CG2-CB 3.64Å; G404-A412 WeakPolarHBondContact CA-O 3.34Å; G404-A412 PolarHBondContact N-O 3.33Å; G404-A412 VanDerWaalsContact N-O 3.12Å; N409-A412 HydrophobicContact CB-CB 4.26Å; N409-A412 PolarHBondContact O-N 2.87Å; A412-L414 PolarHBondContact O-N 2.93Å
413	N	92.9	Very high	95.8	Very high	114 Å²	114	43.5 Å²	43.5	61%	0.61	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-61.5	138	178.3	-70.3	-6.3	0	0	0	110.3	T403	T403-N413 WeakPolarHBondContact CB-O 3.46Å; T403-N413 PolarHBondContact OG1-O 2.96Å
414	L	96.6	Very high	95.8	Very high	31 Å²	31	44.3 Å²	44.3	16%	0.162	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-71.6	129.1	170.9	-178.6	64	0	0	0	109	D359 P360 W400 T403 A412	D359-L414 HydrophobicContact CB-CD2 4.35Å; P360-L414 HydrophobicContact CG-CD1 4.01Å; W400-L414 HydrophobicContact CE3-CD1 3.72Å; W400-L414 HydrophobicContact CE3-CD2 3.82Å; W400-L414 HydrophobicContact CE3-CG 3.66Å; W400-L414 HydrophobicContact CH2-CD2 4.37Å; W400-L414 HydrophobicContact CZ3-CD1 4.29Å; W400-L414 HydrophobicContact CZ3-CD2 3.56Å; W400-L414 HydrophobicContact CZ3-CG 3.71Å; T403-L414 WeakPolarHBondContact OG1-CA 3.24Å; A412-L414 PolarHBondContact O-N 2.93Å
415	M	97.8	Very high	96	Very high	20 Å²	20	44.1 Å²	44.1	10%	0.099	28%	0.279	C	S	.	.			trans	-125.3	153.3	178.8	-65	177.8	-72.7	0	0	109.9	W400 S401 W428 I436 F451 T472	W400-M415 CarbonylContact C-O 3.51Å; W400-M415 WeakPolarHBondContact CA-O 3.35Å; S401-M415 PolarHBondContact N-O 3.48Å; S401-M415 PolarHBondContact OG-N 3.24Å; S401-M415 PolarHBondContact OG-O 3.2Å; M415-W428 WeakPolarHBondContact CA-O 3.27Å; M415-I436 HydrophobicContact CG-CD1 4.02Å; M415-I436 HydrophobicContact SD-CD1 4.22Å; M415-F451 HydrophobicContact CB-CZ 4.29Å; M415-F451 HydrophobicContact CE-CE1 4.26Å; M415-T472 HydrophobicContact CE-CG2 4.44Å
416	L	98.8	Very high	96.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.8	169.6	-179.7	63	0	0	0	108.6	A366 L374 I376 I398 K399 W400 L427 W428 V430	A366-L416 HydrophobicContact CB-CD1 4.07Å; A366-L416 HydrophobicContact CB-CD2 3.71Å; L374-L416 HydrophobicContact CD1-CD2 3.76Å; L374-L416 HydrophobicContact CD1-CG 4.28Å; L374-L416 HydrophobicContact CD2-CD2 3.45Å; L374-L416 VanDerWaalsContact CD2-CD2 3.45Å; L374-L416 HydrophobicContact CG-CD2 4.17Å; I376-L416 HydrophobicContact CD1-CD2 3.67Å; I398-L416 HydrophobicContact CB-CD1 4.23Å; K399-L416 WeakPolarHBondContact O-CD1 3.38Å; W400-L416 HydrophobicContact CD2-CB 4.46Å; W400-L416 HydrophobicContact CD2-CD1 3.89Å; W400-L416 HydrophobicContact CE3-CB 4.03Å; W400-L416 HydrophobicContact CE3-CD1 4.32Å; W400-L416 HydrophobicContact CG-CD1 4.1Å; W400-L416 HydrophobicContact CZ2-CD2 4.5Å; W400-L416 HydrophobicContact CZ3-CB 4.16Å; L416-L427 CarbonylContact O-C 3.49Å; L416-L427 WeakPolarHBondContact O-CA 3.48Å; L416-W428 HydrophobicContact CB-CB 4.29Å; L416-W428 PolarHBondContact N-O 3.24Å; L416-W428 PolarHBondContact O-N 2.68Å; L416-V430 HydrophobicContact CB-CG2 3.59Å; L416-V430 HydrophobicContact CD2-CG2 3.85Å; L416-V430 HydrophobicContact CG-CG2 4.4Å
417	A	98.9	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.7	169.6	0	0	0	0	0	109.7	I398 K399 R426 L427 V449 F451 L458	I398-A417 WeakPolarHBondContact CA-O 3.39Å; K399-A417 PolarHBondContact N-O 3.44Å; K399-A417 VanDerWaalsContact N-O 3.08Å; K399-A417 PolarHBondContact O-N 2.96Å; A417-R426 CarbonylContact C-O 3.5Å; A417-R426 WeakPolarHBondContact CA-O 3.39Å; A417-L427 HydrophobicContact CB-CD2 3.88Å; A417-V449 HydrophobicContact CB-CG2 4.04Å; A417-F451 HydrophobicContact CB-CE2 3.55Å; A417-F451 HydrophobicContact CB-CZ 3.8Å; A417-L458 HydrophobicContact CB-CD1 3.83Å; A417-L458 HydrophobicContact CB-CD2 4.03Å
418	S	98.8	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.6	169.3	65.2	0	0	0	0	110.7	H391 T397 V425 R426 W428	H391-S418 PolarHBondContact NE2-OG 3.25Å; T397-S418 WeakPolarHBondContact O-CA 3.27Å; S418-V425 CarbonylContact O-C 3.5Å; S418-V425 WeakPolarHBondContact O-CA 3.49Å; S418-R426 PolarHBondContact N-O 3.26Å; S418-R426 PolarHBondContact O-N 2.93Å; S418-W428 PolarHBondContact OG-NE1 3.18Å
419	A	98.1	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.1	176.9	0	0	0	0	0	112.2	I395 Y396 T397 V425 V446 V449	I395-A419 VanDerWaalsContact CG2-O 3.31Å; I395-A419 WeakPolarHBondContact CG2-O 3.43Å; Y396-A419 PolarHBondContact N-O 2.84Å; T397-A419 HydrophobicContact CG2-CB 3.76Å; T397-A419 PolarHBondContact O-N 3.44Å; A419-V425 HydrophobicContact CB-CG2 3.96Å; A419-V446 HydrophobicContact CB-CB 3.87Å; A419-V446 HydrophobicContact CB-CG1 3.6Å; A419-V449 HydrophobicContact CB-CG1 3.64Å
420	S	97.5	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	162.3	-161.6	172.1	0	0	0	0	113.7	H391 K393 E394 D422 S423 T424 V446	H391-S420 WeakPolarHBondContact ND1-CB 3.02Å; K393-S420 PolarHBondContact O-OG 3.04Å; E394-S420 VanDerWaalsContact O-CA 3.24Å; E394-S420 WeakPolarHBondContact O-CA 3.27Å; E394-S420 VanDerWaalsContact O-CB 3.23Å; E394-S420 WeakPolarHBondContact O-CB 3.45Å; E394-S420 PolarHBondContact O-OG 3.42Å; S420-D422 WeakPolarHBondContact CB-OD1 3.2Å; S420-D422 PolarHBondContact O-N 3.39Å; S420-D422 PolarHBondContact OG-N 3.22Å; S420-D422 PolarHBondContact OG-OD1 3.32Å; S420-S423 PolarHBondContact O-N 3.26Å; S420-T424 PolarHBondContact N-O 3.43Å; S420-V446 PolarHBondContact O-N 3.18Å; S420-V446 VanDerWaalsContact O-N 3.15Å
421	F	92.8	Very high	96.4	Very high	64 Å²	64	32.3 Å²	32.3	28%	0.281	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.9	165.5	-167.4	-95.6	0	0	0	113.2	K393 E394 Y396 S423 P445	K393-F421 HydrophobicContact CB-CB 4.18Å; K393-F421 HydrophobicContact CB-CD1 4.36Å; K393-F421 HydrophobicContact CD-CD1 3.52Å; K393-F421 HydrophobicContact CD-CE1 4.17Å; E394-F421 HydrophobicContact CB-CB 4.38Å; E394-F421 PolarHBondContact O-N 2.86Å; Y396-F421 HydrophobicContact CE2-CB 3.82Å; Y396-F421 AromaticContact CE2-CD2 3.73Å; Y396-F421 HydrophobicContact CE2-CD2 3.73Å; Y396-F421 HydrophobicContact CE2-CG 4.26Å; Y396-F421 AromaticContact CZ-CD2 3.82Å; Y396-F421 WeakPolarHBondContact OH-CD2 3.28Å; F421-S423 PolarHBondContact O-N 2.89Å; F421-P445 HydrophobicContact CD2-CB 3.74Å; F421-P445 HydrophobicContact CD2-CG 3.31Å; F421-P445 HydrophobicContact CE2-CB 4.26Å; F421-P445 HydrophobicContact CE2-CG 3.42Å; F421-P445 VanDerWaalsContact CE2-CG 3.42Å; F421-P445 HydrophobicContact CG-CB 4.34Å; F421-P445 HydrophobicContact CG-CG 3.91Å; F421-P445 HydrophobicContact CZ-CG 4.07Å
422	D	94.6	Very high	96.4	Very high	16 Å²	16	35.3 Å²	35.3	9%	0.086	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	8.9	173.1	75.6	7.8	0	0	0	114.8	H391 S392 K393 S420 T424	H391-D422 WeakPolarHBondContact CB-OD2 3.46Å; H391-D422 IonicContact CG-OD2 3.86Å; H391-D422 IonicContact ND1-OD1 3.07Å; H391-D422 PolarHBondContact ND1-OD1 2.76Å; H391-D422 IonicContact ND1-OD2 3.72Å; S392-D422 PolarHBondContact N-OD2 3.15Å; S392-D422 VanDerWaalsContact OG-CB 3.27Å; S392-D422 WeakPolarHBondContact OG-CB 3.46Å; S392-D422 PolarHBondContact OG-OD2 2.74Å; K393-D422 HydrophobicContact CB-CB 3.89Å; K393-D422 HydrophobicContact CD-CB 4.23Å; K393-D422 HydrophobicContact CG-CB 3.87Å; S420-D422 WeakPolarHBondContact CB-OD1 3.2Å; S420-D422 PolarHBondContact O-N 3.39Å; S420-D422 PolarHBondContact OG-N 3.22Å; S420-D422 PolarHBondContact OG-OD1 3.32Å; D422-T424 PolarHBondContact O-N 2.96Å; D422-T424 VanDerWaalsContact OD1-CB 3.28Å; D422-T424 WeakPolarHBondContact OD1-CB 3.39Å; D422-T424 WeakPolarHBondContact OD1-CG2 3.27Å; D422-T424 PolarHBondContact OD1-N 3.35Å; D422-T424 PolarHBondContact OD1-OG1 3.37Å; D422-T424 PolarHBondContact OD2-OG1 3.47Å
423	S	96.8	Very high	96.4	Very high	29 Å²	29	34.3 Å²	34.3	20%	0.203	17%	0.169	C	C	.	.	S	Bend	trans	66.9	4.5	-177	71.8	0	0	0	0	115.5	S420 F421 H442 E444	S420-S423 PolarHBondContact O-N 3.26Å; F421-S423 PolarHBondContact O-N 2.89Å; S423-H442 WeakPolarHBondContact O-CB 3.38Å; S423-H442 PolarHBondContact OG-O 2.96Å; S423-E444 WeakPolarHBondContact CA-O 3.47Å; S423-E444 WeakPolarHBondContact CB-O 3.47Å
424	T	98.5	Very high	96.6	Very high	19 Å²	19	32.9 Å²	32.9	12%	0.117	16%	0.16	C	C	.	.			trans	-97.4	150.1	179.4	73	0	0	0	0	112.7	H391 S420 D422 T440	H391-T424 PolarHBondContact CE1-O 3.36Å; H391-T424 PolarHBondContact CE1-OG1 3.08Å; H391-T424 VanDerWaalsContact CE1-OG1 3.27Å; H391-T424 PolarHBondContact ND1-OG1 3.2Å; S420-T424 PolarHBondContact N-O 3.43Å; D422-T424 PolarHBondContact O-N 2.96Å; D422-T424 VanDerWaalsContact OD1-CB 3.28Å; D422-T424 WeakPolarHBondContact OD1-CB 3.39Å; D422-T424 WeakPolarHBondContact OD1-CG2 3.27Å; D422-T424 PolarHBondContact OD1-N 3.35Å; D422-T424 PolarHBondContact OD1-OG1 3.37Å; D422-T424 PolarHBondContact OD2-OG1 3.47Å; T424-T440 HydrophobicContact CG2-CG2 4.21Å
425	V	98.9	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.6	166.9	-177.4	0	0	0	0	108.3	S418 A419 L439 V446 V449 L458	S418-V425 CarbonylContact O-C 3.5Å; S418-V425 WeakPolarHBondContact O-CA 3.49Å; A419-V425 HydrophobicContact CB-CG2 3.96Å; V425-L439 HydrophobicContact CB-CB 4.15Å; V425-L439 HydrophobicContact CB-CD1 4.13Å; V425-L439 HydrophobicContact CG1-CD1 4.02Å; V425-L439 PolarHBondContact N-O 3.48Å; V425-L439 WeakPolarHBondContact O-CB 3.19Å; V425-L439 PolarHBondContact O-N 2.97Å; V425-V446 HydrophobicContact CG2-CB 4.34Å; V425-V446 HydrophobicContact CG2-CG1 3.83Å; V425-V446 HydrophobicContact CG2-CG2 4.06Å; V425-V449 HydrophobicContact CG1-CG1 3.97Å; V425-V449 HydrophobicContact CG2-CG1 4.26Å; V425-L458 HydrophobicContact CG1-CD2 3.64Å
426	R	98.8	Very high	96.7	Very high	59 Å²	59	35.6 Å²	35.6	22%	0.223	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.7	178.4	-68.2	-177	-174.6	-162.4	7	111.5	A390 A417 S418 W428 H437 T438	A390-R426 WeakPolarHBondContact O-CD 3.13Å; A390-R426 PolarHBondContact O-NE 2.98Å; A390-R426 PolarHBondContact O-NH1 3.25Å; A417-R426 CarbonylContact C-O 3.5Å; A417-R426 WeakPolarHBondContact CA-O 3.39Å; S418-R426 PolarHBondContact N-O 3.26Å; S418-R426 PolarHBondContact O-N 2.93Å; R426-W428 HydrophobicContact CB-CZ2 3.99Å; R426-W428 HydrophobicContact CG-CZ2 4.45Å; R426-H437 VanDerWaalsContact CA-O 3.32Å; R426-H437 WeakPolarHBondContact CA-O 3.48Å; R426-T438 HydrophobicContact CG-CG2 4.07Å
427	L	98.8	Very high	96.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133	173.3	-71	175.4	0	0	0	109.3	L416 A417 C435 I436 H437 F451 L458 T472	L416-L427 CarbonylContact O-C 3.49Å; L416-L427 WeakPolarHBondContact O-CA 3.48Å; A417-L427 HydrophobicContact CB-CD2 3.88Å; L427-C435 CarbonylContact O-C 3.5Å; L427-I436 PolarHBondContact O-N 3.11Å; L427-H437 HydrophobicContact CB-CB 4.28Å; L427-H437 HydrophobicContact CD1-CB 4.36Å; L427-H437 PolarHBondContact N-O 3.36Å; L427-H437 PolarHBondContact O-N 3.29Å; L427-F451 HydrophobicContact CD2-CE1 4.04Å; L427-F451 HydrophobicContact CD2-CZ 3.66Å; L427-L458 HydrophobicContact CD2-CD2 4.01Å; L427-T472 HydrophobicContact CD1-CG2 4.35Å
428	W	98.6	Very high	96.6	Very high	13 Å²	13	41 Å²	41	5%	0.049	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.6	-172.2	-56.8	88.8	0	0	0	111.4	L388 A390 M415 L416 S418 R426 V430 I434 C435	L388-W428 HydrophobicContact CB-CH2 4.45Å; L388-W428 HydrophobicContact CB-CZ3 4.28Å; L388-W428 HydrophobicContact CD1-CD2 4.2Å; L388-W428 HydrophobicContact CD1-CE3 3.79Å; L388-W428 HydrophobicContact CD1-CZ3 4.16Å; A390-W428 HydrophobicContact CB-CH2 4.01Å; A390-W428 HydrophobicContact CB-CZ2 3.45Å; A390-W428 VanDerWaalsContact CB-CZ2 3.45Å; M415-W428 WeakPolarHBondContact CA-O 3.27Å; L416-W428 HydrophobicContact CB-CB 4.29Å; L416-W428 PolarHBondContact N-O 3.24Å; L416-W428 PolarHBondContact O-N 2.68Å; S418-W428 PolarHBondContact OG-NE1 3.18Å; R426-W428 HydrophobicContact CB-CZ2 3.99Å; R426-W428 HydrophobicContact CG-CZ2 4.45Å; W428-V430 HydrophobicContact CB-CG2 4.5Å; W428-I434 WeakPolarHBondContact CA-O 3.44Å; W428-C435 HydrophobicContact CD2-CB 4.32Å; W428-C435 HydrophobicContact CE3-CB 3.79Å; W428-C435 HydrophobicContact CH2-CB 3.9Å; W428-C435 HydrophobicContact CZ2-CB 4.4Å; W428-C435 HydrophobicContact CZ3-CB 3.58Å
429	D	96.8	Very high	96.6	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.102	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	104.3	160.6	-178.5	-34.8	0	0	0	106.1	D431 R432 G433 I434 I436	D429-D431 PolarHBondContact OD1-N 3.49Å; D429-R432 HydrophobicContact CB-CB 4.33Å; D429-R432 PolarHBondContact OD1-N 2.84Å; D429-R432 VanDerWaalsContact OD2-CD 3.3Å; D429-R432 WeakPolarHBondContact OD2-CD 3.49Å; D429-R432 IonicContact OD2-NE 3.12Å; D429-G433 WeakPolarHBondContact O-CA 3.21Å; D429-G433 PolarHBondContact O-N 2.88Å; D429-I434 HydrophobicContact CB-CG1 4.03Å; D429-I434 PolarHBondContact N-O 3.33Å; D429-I434 PolarHBondContact O-N 3.44Å; D429-I434 VanDerWaalsContact O-N 3.12Å; D429-I436 HydrophobicContact CB-CD1 3.89Å; D429-I436 HydrophobicContact CB-CG1 3.9Å
430	V	91.6	Very high	96.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.024	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-35.4	-174.3	173.4	0	0	0	0	111.7	L364 I376 H386 W400 L416 W428 R432 G433	L364-V430 HydrophobicContact CD1-CG1 4.42Å; I376-V430 HydrophobicContact CB-CG1 4.33Å; I376-V430 HydrophobicContact CD1-CG1 3.88Å; I376-V430 HydrophobicContact CD1-CG2 4.11Å; I376-V430 HydrophobicContact CG1-CG1 3.69Å; I376-V430 HydrophobicContact CG2-CG1 3.86Å; H386-V430 PolarHBondContact CD2-O 3.25Å; H386-V430 VanDerWaalsContact CD2-O 3.29Å; H386-V430 PolarHBondContact NE2-O 3.49Å; H386-V430 VanDerWaalsContact NE2-O 3.07Å; W400-V430 HydrophobicContact CH2-CB 3.8Å; W400-V430 HydrophobicContact CH2-CG1 3.74Å; W400-V430 HydrophobicContact CH2-CG2 3.59Å; W400-V430 HydrophobicContact CZ3-CB 3.84Å; W400-V430 HydrophobicContact CZ3-CG1 4.31Å; W400-V430 HydrophobicContact CZ3-CG2 3.55Å; L416-V430 HydrophobicContact CB-CG2 3.59Å; L416-V430 HydrophobicContact CD2-CG2 3.85Å; L416-V430 HydrophobicContact CG-CG2 4.4Å; W428-V430 HydrophobicContact CB-CG2 4.5Å; V430-R432 PolarHBondContact O-N 2.86Å; V430-G433 PolarHBondContact O-N 2.79Å; V430-G433 VanDerWaalsContact O-N 3.13Å
431	D	91.9	Very high	96.6	Very high	134 Å²	134	52 Å²	52	72%	0.717	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-34	179.1	-75.4	-20.2	0	0	0	111.6	D429	D429-D431 PolarHBondContact OD1-N 3.49Å
432	R	93.6	Very high	96.9	Very high	180 Å²	180	49.3 Å²	49.3	68%	0.679	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-15	176.5	-63.4	-177.4	-175.1	-173.3	0.5	113.6	D429 V430 I434	D429-R432 HydrophobicContact CB-CB 4.33Å; D429-R432 PolarHBondContact OD1-N 2.84Å; D429-R432 VanDerWaalsContact OD2-CD 3.3Å; D429-R432 WeakPolarHBondContact OD2-CD 3.49Å; D429-R432 IonicContact OD2-NE 3.12Å; V430-R432 PolarHBondContact O-N 2.86Å; R432-I434 VanDerWaalsContact C-N 3.34Å; R432-I434 HydrophobicContact CB-CD1 4.17Å; R432-I434 HydrophobicContact CB-CG1 3.91Å; R432-I434 HydrophobicContact CB-CG2 4.44Å
433	G	94	Very high	97	Very high	19 Å²	19	55.4 Å²	55.4	20%	0.196	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	33.4	-174.9	0	0	0	0	0	113.7	D429 V430	D429-G433 WeakPolarHBondContact O-CA 3.21Å; D429-G433 PolarHBondContact O-N 2.88Å; V430-G433 PolarHBondContact O-N 2.79Å; V430-G433 VanDerWaalsContact O-N 3.13Å
434	I	96.3	Very high	96.9	Very high	84 Å²	84	58.8 Å²	58.8	43%	0.431	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147.2	-176.8	65.5	176.4	0	0	0	112.5	W428 D429 R432	W428-I434 WeakPolarHBondContact CA-O 3.44Å; D429-I434 HydrophobicContact CB-CG1 4.03Å; D429-I434 PolarHBondContact N-O 3.33Å; D429-I434 PolarHBondContact O-N 3.44Å; D429-I434 VanDerWaalsContact O-N 3.12Å; R432-I434 VanDerWaalsContact C-N 3.34Å; R432-I434 HydrophobicContact CB-CD1 4.17Å; R432-I434 HydrophobicContact CB-CG1 3.91Å; R432-I434 HydrophobicContact CB-CG2 4.44Å
435	C	98.1	Very high	96.8	Very high	43 Å²	43	58.4 Å²	58.4	29%	0.291	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.6	167.7	-171	0	0	0	0	109	L427 W428 H437	L427-C435 CarbonylContact O-C 3.5Å; W428-C435 HydrophobicContact CD2-CB 4.32Å; W428-C435 HydrophobicContact CE3-CB 3.79Å; W428-C435 HydrophobicContact CH2-CB 3.9Å; W428-C435 HydrophobicContact CZ2-CB 4.4Å; W428-C435 HydrophobicContact CZ3-CB 3.58Å; C435-H437 PolarHBondContact SG-O 3.31Å; C435-H437 VanDerWaalsContact SG-O 3.35Å
436	I	97.6	Very high	96.7	Very high	65 Å²	65	58.4 Å²	58.4	33%	0.333	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-48.5	176.4	-48.4	172.6	0	0	0	109.6	M415 L427 D429	M415-I436 HydrophobicContact CG-CD1 4.02Å; M415-I436 HydrophobicContact SD-CD1 4.22Å; L427-I436 PolarHBondContact O-N 3.11Å; D429-I436 HydrophobicContact CB-CD1 3.89Å; D429-I436 HydrophobicContact CB-CG1 3.9Å
437	H	98.4	Very high	96.4	Very high	43 Å²	43	58 Å²	58	20%	0.199	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.5	-175.4	-64.7	-61	0	0	0	111.4	R426 L427 C435 L439 T472 Q473 T474	R426-H437 VanDerWaalsContact CA-O 3.32Å; R426-H437 WeakPolarHBondContact CA-O 3.48Å; L427-H437 HydrophobicContact CB-CB 4.28Å; L427-H437 HydrophobicContact CD1-CB 4.36Å; L427-H437 PolarHBondContact N-O 3.36Å; L427-H437 PolarHBondContact O-N 3.29Å; C435-H437 PolarHBondContact SG-O 3.31Å; C435-H437 VanDerWaalsContact SG-O 3.35Å; H437-L439 HydrophobicContact CB-CD2 4.11Å; H437-T472 PolarHBondContact CD2-O 3.49Å; H437-Q473 PolarHBondContact NE2-O 2.86Å; H437-T474 VanDerWaalsContact CE1-C 3.41Å; H437-T474 PolarHBondContact CE1-O 3.35Å
438	T	98.6	Very high	96.3	Very high	70 Å²	70	58.2 Å²	58.2	43%	0.429	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.1	168.6	-55.6	0	0	0	0	108.3	R426 T440	R426-T438 HydrophobicContact CG-CG2 4.07Å; T438-T440 HydrophobicContact CG2-CG2 3.8Å
439	L	98.6	Very high	96.3	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.9	-173.4	-44.9	172	0	0	0	108.4	V425 H437 L458 W470 G475	V425-L439 HydrophobicContact CB-CB 4.15Å; V425-L439 HydrophobicContact CB-CD1 4.13Å; V425-L439 HydrophobicContact CG1-CD1 4.02Å; V425-L439 PolarHBondContact N-O 3.48Å; V425-L439 WeakPolarHBondContact O-CB 3.19Å; V425-L439 PolarHBondContact O-N 2.97Å; H437-L439 HydrophobicContact CB-CD2 4.11Å; L439-L458 HydrophobicContact CD1-CD2 4.35Å; L439-W470 HydrophobicContact CB-CD2 4.2Å; L439-W470 HydrophobicContact CB-CE3 4.15Å; L439-W470 HydrophobicContact CB-CH2 3.91Å; L439-W470 HydrophobicContact CB-CZ2 4.01Å; L439-W470 HydrophobicContact CB-CZ3 4.01Å; L439-W470 HydrophobicContact CD1-CB 4Å; L439-W470 HydrophobicContact CD1-CD2 3.74Å; L439-W470 HydrophobicContact CD1-CE3 4.22Å; L439-W470 HydrophobicContact CD1-CG 3.61Å; L439-W470 HydrophobicContact CD2-CD2 4.31Å; L439-W470 HydrophobicContact CD2-CE3 3.93Å; L439-W470 HydrophobicContact CD2-CZ3 4.32Å; L439-W470 HydrophobicContact CG-CD2 4.3Å; L439-W470 HydrophobicContact CG-CE3 4.33Å; L439-G475 VanDerWaalsContact CD2-O 3.28Å; L439-G475 WeakPolarHBondContact CD2-O 3.35Å
440	T	98.2	Very high	96.5	Very high	97 Å²	97	57.3 Å²	57.3	60%	0.595	29%	0.289	S	S	*	.			trans	-127.6	24.3	-163.1	63.3	0	0	0	0	113.9	T424 T438	T424-T440 HydrophobicContact CG2-CG2 4.21Å; T438-T440 HydrophobicContact CG2-CG2 3.8Å
441	K	98.3	Very high	96.8	Very high	129 Å²	129	58 Å²	58	56%	0.561	29%	0.292	S	S	*	.			trans	-79	-29.3	-179	-166.9	71.3	174	-174.5	0	112.6	H468 W470 L477	K441-H468 WeakPolarHBondContact CG-NE2 3.32Å; K441-W470 HydrophobicContact CB-CH2 3.45Å; K441-W470 VanDerWaalsContact CB-CH2 3.45Å; K441-W470 HydrophobicContact CB-CZ2 4.19Å; K441-W470 HydrophobicContact CB-CZ3 4.35Å; K441-L477 HydrophobicContact CG-CD2 4.35Å
442	H	97.9	Very high	97.1	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.028	26%	0.258	C	S	.	.			trans	-64.5	150.1	177.6	-76	-57	0	0	0	111.6	S423 V446 S460 S462 D464 C466 H468	S423-H442 WeakPolarHBondContact O-CB 3.38Å; S423-H442 PolarHBondContact OG-O 2.96Å; H442-V446 HydrophobicContact CB-CG2 3.96Å; H442-S460 PolarHBondContact CD2-OG 3.29Å; H442-S460 PolarHBondContact NE2-OG 3.15Å; H442-S462 WeakPolarHBondContact ND1-CB 3.33Å; H442-D464 WeakPolarHBondContact CA-OD2 3.26Å; H442-D464 WeakPolarHBondContact CB-OD2 3.23Å; H442-D464 IonicContact CE1-OD1 2.64Å; H442-D464 IonicContact CG-OD2 3.54Å; H442-D464 IonicContact ND1-OD1 3.92Å; H442-D464 PolarHBondContact ND1-OD1 2.94Å; H442-D464 IonicContact ND1-OD2 3.4Å; H442-D464 PolarHBondContact ND1-OD2 3.47Å; H442-C466 PolarHBondContact CE1-O 3.12Å; H442-H468 AromaticContact CD2-CD2 3.97Å; H442-H468 AromaticContact CE1-CD2 3.34Å; H442-H468 PolarHBondContact CE1-CD2 2.88Å; H442-H468 AromaticContact CE1-CG 3.81Å; H442-H468 AromaticContact CE1-NE2 4Å; H442-H468 AromaticContact CG-CD2 3.93Å; H442-H468 AromaticContact ND1-CD2 3.54Å; H442-H468 AromaticContact ND1-NE2 3.89Å; H442-H468 AromaticContact NE2-CD2 3.6Å
443	Q	95.9	Very high	97.3	Very high	145 Å²	145	45.7 Å²	45.7	68%	0.678	24%	0.242	S	C	*	.			trans	-115.1	-9	-176.9	-62.5	-178.1	13.4	0	0	113.5	D464	Q443-D464 HydrophobicContact CB-CB 4.26Å; Q443-D464 PolarHBondContact N-OD2 3.35Å
444	E	95.3	Very high	97.5	Very high	100 Å²	100	47.2 Å²	47.2	47%	0.467	25%	0.246	S	C	.	.	S	Bend	trans	-136.6	167.7	-177.2	-70.2	-67.3	167.2	0	0	109.3	S423 V446 S462 F463 D464	S423-E444 WeakPolarHBondContact CA-O 3.47Å; S423-E444 WeakPolarHBondContact CB-O 3.47Å; E444-V446 PolarHBondContact O-N 2.85Å; E444-S462 VanDerWaalsContact C-OG 3.3Å; E444-S462 PolarHBondContact O-OG 2.64Å; E444-F463 HydrophobicContact CB-CB 4.08Å; E444-D464 HydrophobicContact CB-CB 3.87Å; E444-D464 VanDerWaalsContact CB-N 3.32Å; E444-D464 HydrophobicContact CG-CB 3.92Å
445	P	96.1	Very high	97.5	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.065	23%	0.227	C	C	.	.			trans	-46.7	135.9	179.4	-33.1	38.6	0	0	0	114.1	F421 Y447 S462 F463	F421-P445 HydrophobicContact CD2-CB 3.74Å; F421-P445 HydrophobicContact CD2-CG 3.31Å; F421-P445 HydrophobicContact CE2-CB 4.26Å; F421-P445 HydrophobicContact CE2-CG 3.42Å; F421-P445 VanDerWaalsContact CE2-CG 3.42Å; F421-P445 HydrophobicContact CG-CB 4.34Å; F421-P445 HydrophobicContact CG-CG 3.91Å; F421-P445 HydrophobicContact CZ-CG 4.07Å; P445-Y447 HydrophobicContact CB-CE2 3.87Å; P445-S462 WeakPolarHBondContact O-CA 3.41Å; P445-S462 WeakPolarHBondContact O-CB 3.39Å; P445-S462 PolarHBondContact O-OG 3.08Å; P445-F463 PolarHBondContact O-N 3.12Å; P445-F463 VanDerWaalsContact O-N 3.12Å
446	V	97.4	Very high	97.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.4	177.1	-175.6	0	0	0	0	108.7	A419 S420 V425 H442 E444 V449 G461	A419-V446 HydrophobicContact CB-CB 3.87Å; A419-V446 HydrophobicContact CB-CG1 3.6Å; S420-V446 PolarHBondContact O-N 3.18Å; S420-V446 VanDerWaalsContact O-N 3.15Å; V425-V446 HydrophobicContact CG2-CB 4.34Å; V425-V446 HydrophobicContact CG2-CG1 3.83Å; V425-V446 HydrophobicContact CG2-CG2 4.06Å; H442-V446 HydrophobicContact CB-CG2 3.96Å; E444-V446 PolarHBondContact O-N 2.85Å; V446-V449 HydrophobicContact CG1-CG1 4.33Å; V446-G461 WeakPolarHBondContact CG1-O 3.39Å
447	Y	92.3	Very high	97.6	Very high	51 Å²	51	48.5 Å²	48.5	20%	0.2	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-24.9	-175.5	-72.3	-76.8	0	0	0	113.4	Y396 T397 P445 G461 F463	Y396-Y447 AromaticContact CD2-CD1 3.78Å; Y396-Y447 HydrophobicContact CD2-CD1 3.78Å; Y396-Y447 AromaticContact CD2-CE1 3.76Å; Y396-Y447 HydrophobicContact CD2-CE1 3.76Å; Y396-Y447 HydrophobicContact CE2-CD1 4.11Å; Y396-Y447 AromaticContact CE2-CE1 3.58Å; Y396-Y447 HydrophobicContact CE2-CE1 3.58Å; T397-Y447 WeakPolarHBondContact CG2-O 3.48Å; P445-Y447 HydrophobicContact CB-CE2 3.87Å; Y447-G461 PolarHBondContact N-O 3.45Å; Y447-G461 VanDerWaalsContact N-O 3.15Å; Y447-F463 AromaticContact CD2-CD2 3.49Å; Y447-F463 HydrophobicContact CD2-CD2 3.49Å; Y447-F463 VanDerWaalsContact CD2-CD2 3.49Å; Y447-F463 AromaticContact CD2-CE2 3.98Å; Y447-F463 HydrophobicContact CD2-CE2 3.98Å; Y447-F463 HydrophobicContact CD2-CG 4.29Å; Y447-F463 HydrophobicContact CE2-CB 4.11Å; Y447-F463 AromaticContact CE2-CD2 3.28Å; Y447-F463 HydrophobicContact CE2-CD2 3.28Å; Y447-F463 AromaticContact CE2-CE2 3.76Å; Y447-F463 HydrophobicContact CE2-CE2 3.76Å; Y447-F463 AromaticContact CE2-CG 3.73Å; Y447-F463 HydrophobicContact CE2-CG 3.73Å
448	S	97.9	Very high	97.6	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.028	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	141.1	-175	-172	0	0	0	0	113.3	S460 G461 F488 V490	S448-S460 WeakPolarHBondContact O-CA 3.48Å; S448-G461 PolarHBondContact O-N 3.5Å; S448-F488 VanDerWaalsContact CB-O 3.26Å; S448-F488 WeakPolarHBondContact CB-O 3.33Å; S448-V490 PolarHBondContact OG-N 3.31Å
449	V	98.9	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.6	168.3	-61.1	0	0	0	0	110	T397 K399 A417 A419 V425 V446 L458 A459	T397-V449 HydrophobicContact CG2-CG1 4.39Å; T397-V449 HydrophobicContact CG2-CG2 3.93Å; K399-V449 HydrophobicContact CB-CG2 4.36Å; K399-V449 HydrophobicContact CG-CG2 3.98Å; K399-V449 VanDerWaalsContact CG-O 3.29Å; K399-V449 WeakPolarHBondContact CG-O 3.36Å; K399-V449 PolarHBondContact NZ-O 3.12Å; A417-V449 HydrophobicContact CB-CG2 4.04Å; A419-V449 HydrophobicContact CB-CG1 3.64Å; V425-V449 HydrophobicContact CG1-CG1 3.97Å; V425-V449 HydrophobicContact CG2-CG1 4.26Å; V446-V449 HydrophobicContact CG1-CG1 4.33Å; V449-L458 HydrophobicContact CB-CD1 4.23Å; V449-A459 CarbonylContact C-O 3.56Å; V449-A459 WeakPolarHBondContact CA-O 3.17Å
450	A	98.9	Very high	97.6	Very high	13 Å²	13	42.8 Å²	42.8	11%	0.107	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	129.1	176.3	0	0	0	0	0	111.2	A459 V490 W492	A450-A459 PolarHBondContact N-O 2.83Å; A450-A459 PolarHBondContact O-N 3.19Å; A450-V490 HydrophobicContact CB-CG2 4.37Å; A450-V490 WeakPolarHBondContact CB-O 3.37Å; A450-W492 PolarHBondContact O-NE1 3.47Å
451	F	98.9	Very high	97.6	Very high	20 Å²	20	38.2 Å²	38.2	9%	0.088	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	146.1	172.1	-77.1	-85.1	0	0	0	110.9	K399 P402 M415 A417 L427 H457 L458 T472 W492	K399-F451 HydrophobicContact CB-CD2 4.23Å; K399-F451 HydrophobicContact CB-CE2 4.44Å; K399-F451 WeakPolarHBondContact O-CE2 3.39Å; P402-F451 HydrophobicContact CG-CB 4.46Å; M415-F451 HydrophobicContact CB-CZ 4.29Å; M415-F451 HydrophobicContact CE-CE1 4.26Å; A417-F451 HydrophobicContact CB-CE2 3.55Å; A417-F451 HydrophobicContact CB-CZ 3.8Å; L427-F451 HydrophobicContact CD2-CE1 4.04Å; L427-F451 HydrophobicContact CD2-CZ 3.66Å; F451-H457 WeakPolarHBondContact CA-O 3.43Å; F451-L458 HydrophobicContact CD1-CD1 3.86Å; F451-L458 HydrophobicContact CD2-CD1 3.73Å; F451-L458 HydrophobicContact CE1-CD1 3.9Å; F451-L458 HydrophobicContact CE2-CD1 3.75Å; F451-L458 HydrophobicContact CG-CD1 3.79Å; F451-L458 HydrophobicContact CZ-CD1 3.85Å; F451-T472 HydrophobicContact CD1-CG2 3.92Å; F451-T472 HydrophobicContact CE1-CG2 3.64Å; F451-W492 VanDerWaalsContact C-CD1 3.47Å
452	S	98.6	Very high	97.6	Very high	2 Å²	2	32 Å²	32	1%	0.014	15%	0.151	C	C	.	.			trans	-61.3	155.5	163.6	58.3	0	0	0	0	110.4	P402 D454 G455 R456 H457	P402-S452 VanDerWaalsContact CG-O 3.28Å; P402-S452 WeakPolarHBondContact CG-O 3.45Å; S452-D454 WeakPolarHBondContact CB-OD1 3.37Å; S452-D454 PolarHBondContact O-N 2.87Å; S452-D454 PolarHBondContact OG-OD1 3.01Å; S452-G455 PolarHBondContact O-N 3.24Å; S452-R456 PolarHBondContact OG-N 3.34Å; S452-H457 PolarHBondContact N-O 3.15Å; S452-H457 PolarHBondContact OG-N 2.9Å; S452-H457 PolarHBondContact OG-O 2.92Å
453	P	97.9	Very high	97.5	Very high	52 Å²	52	34.6 Å²	34.6	34%	0.338	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.7	-179.1	-27.2	35.6	0	0	0	115.1	P402 N409	P402-P453 WeakPolarHBondContact CG-O 3.25Å; N409-P453 PolarHBondContact ND2-O 2.86Å; N409-P453 VanDerWaalsContact ND2-O 3.12Å
454	D	97	Very high	97.5	Very high	52 Å²	52	28.4 Å²	28.4	28%	0.278	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.8	175.9	70.6	-6.7	0	0	0	113.9	S452 R456	S452-D454 WeakPolarHBondContact CB-OD1 3.37Å; S452-D454 PolarHBondContact O-N 2.87Å; S452-D454 PolarHBondContact OG-OD1 3.01Å; D454-R456 HydrophobicContact CB-CG 4.35Å; D454-R456 PolarHBondContact O-N 3.31Å; D454-R456 WeakPolarHBondContact OD1-CB 3.27Å; D454-R456 PolarHBondContact OD1-N 3.44Å; D454-R456 WeakPolarHBondContact OD2-CD 3.47Å; D454-R456 WeakPolarHBondContact OD2-CG 3.31Å; D454-R456 IonicContact OD2-NE 3.29Å
455	G	97.8	Very high	97.6	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.031	13%	0.129	C	C	.	.	S	Bend	trans	71	7.2	-178.3	0	0	0	0	0	115.2	S452 T472	S452-G455 PolarHBondContact O-N 3.24Å; G455-T472 PolarHBondContact O-OG1 2.96Å
456	R	97.7	Very high	97.7	Very high	163 Å²	163	27.8 Å²	27.8	62%	0.615	13%	0.131	S	C	*	.	S	Bend	trans	-82.7	-21.1	-178.4	-62.8	-173.4	-171.3	171.2	1.4	113.5	S452 D454 T472	S452-R456 PolarHBondContact OG-N 3.34Å; D454-R456 HydrophobicContact CB-CG 4.35Å; D454-R456 PolarHBondContact O-N 3.31Å; D454-R456 WeakPolarHBondContact OD1-CB 3.27Å; D454-R456 PolarHBondContact OD1-N 3.44Å; D454-R456 WeakPolarHBondContact OD2-CD 3.47Å; D454-R456 WeakPolarHBondContact OD2-CG 3.31Å; D454-R456 IonicContact OD2-NE 3.29Å; R456-T472 VanDerWaalsContact C-OG1 3.23Å; R456-T472 WeakPolarHBondContact CA-OG1 3.27Å; R456-T472 PolarHBondContact O-N 3.02Å; R456-T472 PolarHBondContact O-OG1 3.05Å
457	H	98.6	Very high	97.8	Very high	52 Å²	52	27.9 Å²	27.9	24%	0.241	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150	179.6	-62.3	-70.4	0	0	0	111.5	F451 S452 I469 W470 W492	F451-H457 WeakPolarHBondContact CA-O 3.43Å; S452-H457 PolarHBondContact N-O 3.15Å; S452-H457 PolarHBondContact OG-N 2.9Å; S452-H457 PolarHBondContact OG-O 2.92Å; H457-I469 HydrophobicContact CB-CG2 4.03Å; H457-W470 CarbonylContact C-O 3.4Å; H457-W470 WeakPolarHBondContact CA-O 3.49Å; H457-W492 HydrophobicContact CB-CH2 3.83Å; H457-W492 HydrophobicContact CB-CZ2 3.81Å
458	L	98.9	Very high	98.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.6	170.8	-173.7	77.8	0	0	0	108	A417 V425 L427 L439 V449 F451 I469 W470 T472	A417-L458 HydrophobicContact CB-CD1 3.83Å; A417-L458 HydrophobicContact CB-CD2 4.03Å; V425-L458 HydrophobicContact CG1-CD2 3.64Å; L427-L458 HydrophobicContact CD2-CD2 4.01Å; L439-L458 HydrophobicContact CD1-CD2 4.35Å; V449-L458 HydrophobicContact CB-CD1 4.23Å; F451-L458 HydrophobicContact CD1-CD1 3.86Å; F451-L458 HydrophobicContact CD2-CD1 3.73Å; F451-L458 HydrophobicContact CE1-CD1 3.9Å; F451-L458 HydrophobicContact CE2-CD1 3.75Å; F451-L458 HydrophobicContact CG-CD1 3.79Å; F451-L458 HydrophobicContact CZ-CD1 3.85Å; L458-I469 CarbonylContact O-C 3.55Å; L458-I469 WeakPolarHBondContact O-CA 3.45Å; L458-W470 HydrophobicContact CB-CB 4.43Å; L458-W470 PolarHBondContact N-O 3.35Å; L458-W470 VanDerWaalsContact O-CD1 3.24Å; L458-W470 PolarHBondContact O-N 3.21Å; L458-T472 HydrophobicContact CB-CG2 3.96Å
459	A	98.9	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.6	165.8	0	0	0	0	0	109.2	V449 A450 H468 I469 V490 W492 V499	V449-A459 CarbonylContact C-O 3.56Å; V449-A459 WeakPolarHBondContact CA-O 3.17Å; A450-A459 PolarHBondContact N-O 2.83Å; A450-A459 PolarHBondContact O-N 3.19Å; A459-H468 CarbonylContact C-O 3.54Å; A459-H468 WeakPolarHBondContact CA-O 3.38Å; A459-I469 HydrophobicContact CB-CD1 3.57Å; A459-V490 HydrophobicContact CB-CB 4.32Å; A459-V490 HydrophobicContact CB-CG2 3.99Å; A459-W492 HydrophobicContact CB-CZ2 4.19Å; A459-V499 HydrophobicContact CB-CG1 4.28Å; A459-V499 HydrophobicContact CB-CG2 4.49Å
460	S	98.9	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140	168.8	61.5	0	0	0	0	111.1	H442 S448 V467 H468 W470	H442-S460 PolarHBondContact CD2-OG 3.29Å; H442-S460 PolarHBondContact NE2-OG 3.15Å; S448-S460 WeakPolarHBondContact O-CA 3.48Å; S460-V467 WeakPolarHBondContact O-CA 3.27Å; S460-H468 PolarHBondContact N-O 3.25Å; S460-H468 PolarHBondContact O-N 3.25Å; S460-W470 PolarHBondContact OG-NE1 2.85Å
461	G	98.5	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.6	178	0	0	0	0	0	111.6	V446 Y447 S448	V446-G461 WeakPolarHBondContact CG1-O 3.39Å; Y447-G461 PolarHBondContact N-O 3.45Å; Y447-G461 VanDerWaalsContact N-O 3.15Å; S448-G461 PolarHBondContact O-N 3.5Å
462	S	98.3	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	161	-176.5	170	0	0	0	0	112.6	H442 E444 P445 D464 K465 C466 I487	H442-S462 WeakPolarHBondContact ND1-CB 3.33Å; E444-S462 VanDerWaalsContact C-OG 3.3Å; E444-S462 PolarHBondContact O-OG 2.64Å; P445-S462 WeakPolarHBondContact O-CA 3.41Å; P445-S462 WeakPolarHBondContact O-CB 3.39Å; P445-S462 PolarHBondContact O-OG 3.08Å; S462-D464 VanDerWaalsContact CB-OD1 3.26Å; S462-D464 WeakPolarHBondContact CB-OD1 3.4Å; S462-D464 PolarHBondContact O-N 2.86Å; S462-D464 VanDerWaalsContact OG-CG 3.25Å; S462-D464 PolarHBondContact OG-N 3.27Å; S462-D464 VanDerWaalsContact OG-N 3.15Å; S462-D464 PolarHBondContact OG-OD1 2.83Å; S462-D464 PolarHBondContact OG-OD2 3.22Å; S462-K465 PolarHBondContact O-N 3.47Å; S462-C466 PolarHBondContact N-O 3.19Å; S462-I487 WeakPolarHBondContact O-CB 3.46Å; S462-I487 PolarHBondContact O-N 3.45Å
463	F	95.5	Very high	98	Very high	59 Å²	59	33.9 Å²	33.9	26%	0.259	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-5.8	170.5	-106.6	-124.1	0	0	0	114.6	E444 P445 Y447 K465 F488	E444-F463 HydrophobicContact CB-CB 4.08Å; P445-F463 PolarHBondContact O-N 3.12Å; P445-F463 VanDerWaalsContact O-N 3.12Å; Y447-F463 AromaticContact CD2-CD2 3.49Å; Y447-F463 HydrophobicContact CD2-CD2 3.49Å; Y447-F463 VanDerWaalsContact CD2-CD2 3.49Å; Y447-F463 AromaticContact CD2-CE2 3.98Å; Y447-F463 HydrophobicContact CD2-CE2 3.98Å; Y447-F463 HydrophobicContact CD2-CG 4.29Å; Y447-F463 HydrophobicContact CE2-CB 4.11Å; Y447-F463 AromaticContact CE2-CD2 3.28Å; Y447-F463 HydrophobicContact CE2-CD2 3.28Å; Y447-F463 AromaticContact CE2-CE2 3.76Å; Y447-F463 HydrophobicContact CE2-CE2 3.76Å; Y447-F463 AromaticContact CE2-CG 3.73Å; Y447-F463 HydrophobicContact CE2-CG 3.73Å; F463-K465 PolarHBondContact O-N 3.38Å; F463-K465 VanDerWaalsContact O-N 3.12Å; F463-F488 AromaticContact CE2-CD1 3.9Å; F463-F488 HydrophobicContact CE2-CD1 3.9Å; F463-F488 HydrophobicContact CE2-CD2 4.46Å; F463-F488 AromaticContact CE2-CE1 3.59Å; F463-F488 HydrophobicContact CE2-CE1 3.59Å; F463-F488 HydrophobicContact CE2-CE2 4.19Å; F463-F488 HydrophobicContact CE2-CG 4.33Å; F463-F488 AromaticContact CE2-CZ 3.77Å; F463-F488 HydrophobicContact CE2-CZ 3.77Å; F463-F488 HydrophobicContact CZ-CD1 4.48Å; F463-F488 AromaticContact CZ-CE1 3.74Å; F463-F488 HydrophobicContact CZ-CE1 3.74Å; F463-F488 HydrophobicContact CZ-CE2 4.13Å; F463-F488 AromaticContact CZ-CZ 3.54Å; F463-F488 HydrophobicContact CZ-CZ 3.54Å
464	D	95.3	Very high	98	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.08	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-0.3	167.9	65.3	13.9	0	0	0	112.8	H442 Q443 E444 S462 C466 R482	H442-D464 WeakPolarHBondContact CA-OD2 3.26Å; H442-D464 WeakPolarHBondContact CB-OD2 3.23Å; H442-D464 IonicContact CE1-OD1 2.64Å; H442-D464 IonicContact CG-OD2 3.54Å; H442-D464 IonicContact ND1-OD1 3.92Å; H442-D464 PolarHBondContact ND1-OD1 2.94Å; H442-D464 IonicContact ND1-OD2 3.4Å; H442-D464 PolarHBondContact ND1-OD2 3.47Å; Q443-D464 HydrophobicContact CB-CB 4.26Å; Q443-D464 PolarHBondContact N-OD2 3.35Å; E444-D464 HydrophobicContact CB-CB 3.87Å; E444-D464 VanDerWaalsContact CB-N 3.32Å; E444-D464 HydrophobicContact CG-CB 3.92Å; S462-D464 VanDerWaalsContact CB-OD1 3.26Å; S462-D464 WeakPolarHBondContact CB-OD1 3.4Å; S462-D464 PolarHBondContact O-N 2.86Å; S462-D464 VanDerWaalsContact OG-CG 3.25Å; S462-D464 PolarHBondContact OG-N 3.27Å; S462-D464 VanDerWaalsContact OG-N 3.15Å; S462-D464 PolarHBondContact OG-OD1 2.83Å; S462-D464 PolarHBondContact OG-OD2 3.22Å; D464-C466 VanDerWaalsContact C-N 3.28Å; D464-C466 WeakPolarHBondContact OD1-CA 3.26Å; D464-C466 WeakPolarHBondContact OD1-CB 3.46Å; D464-C466 PolarHBondContact OD1-N 3.16Å; D464-R482 PolarHBondContact O-NH2 2.98Å
465	K	97.8	Very high	98	Very high	82 Å²	82	33.6 Å²	33.6	36%	0.357	16%	0.162	S	C	.	.	S	Bend	trans	76	12.8	178	-43.9	177.3	174.4	-161.4	0	113.3	S462 F463 G483 T484 G485	S462-K465 PolarHBondContact O-N 3.47Å; F463-K465 PolarHBondContact O-N 3.38Å; F463-K465 VanDerWaalsContact O-N 3.12Å; K465-G483 PolarHBondContact O-N 3.21Å; K465-T484 WeakPolarHBondContact CD-O 3.31Å; K465-T484 WeakPolarHBondContact CE-O 3.25Å; K465-T484 PolarHBondContact NZ-O 3.46Å; K465-G485 WeakPolarHBondContact CA-O 3.49Å; K465-G485 VanDerWaalsContact CB-O 3.31Å; K465-G485 WeakPolarHBondContact CB-O 3.3Å; K465-G485 WeakPolarHBondContact CG-O 3.46Å
466	C	98.4	Very high	98	Very high	16 Å²	16	35.7 Å²	35.7	11%	0.108	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.4	-179.4	-62.4	0	0	0	0	111.8	H442 S462 D464 Y481	H442-C466 PolarHBondContact CE1-O 3.12Å; S462-C466 PolarHBondContact N-O 3.19Å; D464-C466 VanDerWaalsContact C-N 3.28Å; D464-C466 WeakPolarHBondContact OD1-CA 3.26Å; D464-C466 WeakPolarHBondContact OD1-CB 3.46Å; D464-C466 PolarHBondContact OD1-N 3.16Å; C466-Y481 CarbonylContact C-O 3.57Å; C466-Y481 VanDerWaalsContact CA-O 3.27Å; C466-Y481 WeakPolarHBondContact CA-O 3.16Å
467	V	98.8	Very high	98	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.7	159.9	179.9	0	0	0	0	107.6	S460 I469 S480 Y481 I487 V490 V499 A501 L511	S460-V467 WeakPolarHBondContact O-CA 3.27Å; V467-I469 HydrophobicContact CG1-CD1 4.14Å; V467-S480 WeakPolarHBondContact O-CA 3.42Å; V467-Y481 PolarHBondContact N-O 2.88Å; V467-Y481 PolarHBondContact O-N 2.79Å; V467-I487 HydrophobicContact CG2-CD1 4.3Å; V467-I487 HydrophobicContact CG2-CG1 4.07Å; V467-I487 HydrophobicContact CG2-CG2 4.42Å; V467-V490 HydrophobicContact CG1-CG1 4.15Å; V467-V490 HydrophobicContact CG2-CG1 4.08Å; V467-V499 HydrophobicContact CG1-CG1 4.32Å; V467-A501 HydrophobicContact CG2-CB 3.74Å; V467-L511 HydrophobicContact CB-CD1 3.92Å; V467-L511 HydrophobicContact CG1-CD1 3.87Å; V467-L511 HydrophobicContact CG2-CD1 4.26Å
468	H	98.8	Very high	97.9	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.032	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.6	177.1	-71.1	-22.9	0	0	0	110.5	K441 H442 A459 S460 W470 L477	K441-H468 WeakPolarHBondContact CG-NE2 3.32Å; H442-H468 AromaticContact CD2-CD2 3.97Å; H442-H468 AromaticContact CE1-CD2 3.34Å; H442-H468 PolarHBondContact CE1-CD2 2.88Å; H442-H468 AromaticContact CE1-CG 3.81Å; H442-H468 AromaticContact CE1-NE2 4Å; H442-H468 AromaticContact CG-CD2 3.93Å; H442-H468 AromaticContact ND1-CD2 3.54Å; H442-H468 AromaticContact ND1-NE2 3.89Å; H442-H468 AromaticContact NE2-CD2 3.6Å; A459-H468 CarbonylContact C-O 3.54Å; A459-H468 WeakPolarHBondContact CA-O 3.38Å; S460-H468 PolarHBondContact N-O 3.25Å; S460-H468 PolarHBondContact O-N 3.25Å; H468-W470 HydrophobicContact CB-CD2 4.46Å; H468-W470 HydrophobicContact CB-CZ2 3.59Å; H468-W470 AromaticContact CD2-CZ2 3.75Å; H468-W470 AromaticContact CG-CZ2 3.99Å; H468-L477 HydrophobicContact CB-CD1 3.61Å
469	I	98.8	Very high	97.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119	174.9	-48.5	-57.2	0	0	0	108.4	H457 L458 A459 V467 V478 H479 W492 V499 L513	H457-I469 HydrophobicContact CB-CG2 4.03Å; L458-I469 CarbonylContact O-C 3.55Å; L458-I469 WeakPolarHBondContact O-CA 3.45Å; A459-I469 HydrophobicContact CB-CD1 3.57Å; V467-I469 HydrophobicContact CG1-CD1 4.14Å; I469-V478 PolarHBondContact O-N 3.28Å; I469-H479 HydrophobicContact CB-CB 3.86Å; I469-H479 HydrophobicContact CG1-CB 3.79Å; I469-H479 PolarHBondContact N-O 3.15Å; I469-H479 PolarHBondContact O-N 2.93Å; I469-W492 HydrophobicContact CD1-CZ2 4.16Å; I469-W492 HydrophobicContact CG2-CH2 3.96Å; I469-W492 HydrophobicContact CG2-CZ2 4Å; I469-V499 HydrophobicContact CD1-CG1 4.49Å; I469-V499 HydrophobicContact CD1-CG2 3.92Å; I469-L513 HydrophobicContact CD1-CD1 4.41Å; I469-L513 HydrophobicContact CG1-CD1 4.17Å; I469-L513 HydrophobicContact CG1-CD2 4.39Å; I469-L513 HydrophobicContact CG2-CD1 4.44Å
470	W	98.8	Very high	97.8	Very high	10 Å²	10	32.9 Å²	32.9	4%	0.038	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.1	-174.9	-47.9	94.1	0	0	0	110.4	L439 K441 H457 L458 S460 H468 A476 L477	L439-W470 HydrophobicContact CB-CD2 4.2Å; L439-W470 HydrophobicContact CB-CE3 4.15Å; L439-W470 HydrophobicContact CB-CH2 3.91Å; L439-W470 HydrophobicContact CB-CZ2 4.01Å; L439-W470 HydrophobicContact CB-CZ3 4.01Å; L439-W470 HydrophobicContact CD1-CB 4Å; L439-W470 HydrophobicContact CD1-CD2 3.74Å; L439-W470 HydrophobicContact CD1-CE3 4.22Å; L439-W470 HydrophobicContact CD1-CG 3.61Å; L439-W470 HydrophobicContact CD2-CD2 4.31Å; L439-W470 HydrophobicContact CD2-CE3 3.93Å; L439-W470 HydrophobicContact CD2-CZ3 4.32Å; L439-W470 HydrophobicContact CG-CD2 4.3Å; L439-W470 HydrophobicContact CG-CE3 4.33Å; K441-W470 HydrophobicContact CB-CH2 3.45Å; K441-W470 VanDerWaalsContact CB-CH2 3.45Å; K441-W470 HydrophobicContact CB-CZ2 4.19Å; K441-W470 HydrophobicContact CB-CZ3 4.35Å; H457-W470 CarbonylContact C-O 3.4Å; H457-W470 WeakPolarHBondContact CA-O 3.49Å; L458-W470 HydrophobicContact CB-CB 4.43Å; L458-W470 PolarHBondContact N-O 3.35Å; L458-W470 VanDerWaalsContact O-CD1 3.24Å; L458-W470 PolarHBondContact O-N 3.21Å; S460-W470 PolarHBondContact OG-NE1 2.85Å; H468-W470 HydrophobicContact CB-CD2 4.46Å; H468-W470 HydrophobicContact CB-CZ2 3.59Å; H468-W470 AromaticContact CD2-CZ2 3.75Å; H468-W470 AromaticContact CG-CZ2 3.99Å; W470-A476 CarbonylContact C-O 3.48Å; W470-A476 WeakPolarHBondContact CA-O 3.42Å; W470-L477 HydrophobicContact CD2-CD1 4.08Å; W470-L477 HydrophobicContact CE3-CB 4Å; W470-L477 HydrophobicContact CE3-CD1 3.9Å; W470-L477 HydrophobicContact CH2-CD1 4.15Å; W470-L477 HydrophobicContact CZ2-CD1 4.26Å; W470-L477 HydrophobicContact CZ3-CB 3.92Å; W470-L477 HydrophobicContact CZ3-CD1 3.94Å; W470-L477 HydrophobicContact CZ3-CG 4.48Å
471	N	98.3	Very high	97.8	Very high	42 Å²	42	34 Å²	34	23%	0.225	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.6	164.8	-176.2	-61.7	0	0	0	108.6	Q473 T474 G475 A476 V478	N471-Q473 VanDerWaalsContact C-N 3.29Å; N471-Q473 PolarHBondContact O-N 3.21Å; N471-Q473 WeakPolarHBondContact OD1-CA 3.43Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.39Å; N471-Q473 PolarHBondContact OD1-N 3.02Å; N471-T474 WeakPolarHBondContact CB-OG1 3.5Å; N471-T474 PolarHBondContact OD1-N 3.38Å; N471-T474 PolarHBondContact OD1-OG1 3.46Å; N471-G475 VanDerWaalsContact O-CA 3.29Å; N471-G475 WeakPolarHBondContact O-CA 3.22Å; N471-G475 PolarHBondContact O-N 3.3Å; N471-A476 PolarHBondContact N-O 2.78Å; N471-V478 HydrophobicContact CB-CG2 3.71Å
472	T	98.1	Very high	97.7	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.043	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-23	-174.2	57	0	0	0	0	113	M415 L427 H437 F451 G455 R456 L458	M415-T472 HydrophobicContact CE-CG2 4.44Å; L427-T472 HydrophobicContact CD1-CG2 4.35Å; H437-T472 PolarHBondContact CD2-O 3.49Å; F451-T472 HydrophobicContact CD1-CG2 3.92Å; F451-T472 HydrophobicContact CE1-CG2 3.64Å; G455-T472 PolarHBondContact O-OG1 2.96Å; R456-T472 VanDerWaalsContact C-OG1 3.23Å; R456-T472 WeakPolarHBondContact CA-OG1 3.27Å; R456-T472 PolarHBondContact O-N 3.02Å; R456-T472 PolarHBondContact O-OG1 3.05Å; L458-T472 HydrophobicContact CB-CG2 3.96Å
473	Q	96.6	Very high	97.5	Very high	149 Å²	149	42.1 Å²	42.1	70%	0.696	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-41.4	178.5	-177.4	59.6	72.3	0	0	111.9	H437 N471	H437-Q473 PolarHBondContact NE2-O 2.86Å; N471-Q473 VanDerWaalsContact C-N 3.29Å; N471-Q473 PolarHBondContact O-N 3.21Å; N471-Q473 WeakPolarHBondContact OD1-CA 3.43Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.39Å; N471-Q473 PolarHBondContact OD1-N 3.02Å
474	T	97.5	Very high	97.4	Very high	83 Å²	83	43 Å²	43	51%	0.509	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-16.8	-174.2	65.2	0	0	0	0	114.2	H437 N471 A476	H437-T474 VanDerWaalsContact CE1-C 3.41Å; H437-T474 PolarHBondContact CE1-O 3.35Å; N471-T474 WeakPolarHBondContact CB-OG1 3.5Å; N471-T474 PolarHBondContact OD1-N 3.38Å; N471-T474 PolarHBondContact OD1-OG1 3.46Å; T474-A476 PolarHBondContact O-N 3.35Å; T474-A476 WeakPolarHBondContact OG1-CB 3.24Å; T474-A476 PolarHBondContact OG1-N 3.34Å
475	G	97.2	Very high	97.3	Very high	15 Å²	15	42.3 Å²	42.3	16%	0.155	22%	0.224	C	C	.	.			trans	72.5	4	-171.3	0	0	0	0	0	113.8	L439 N471	L439-G475 VanDerWaalsContact CD2-O 3.28Å; L439-G475 WeakPolarHBondContact CD2-O 3.35Å; N471-G475 VanDerWaalsContact O-CA 3.29Å; N471-G475 WeakPolarHBondContact O-CA 3.22Å; N471-G475 PolarHBondContact O-N 3.3Å
476	A	97.6	Very high	97.2	Very high	47 Å²	47	38.5 Å²	38.5	39%	0.388	21%	0.208	S	C	.	.			trans	-75	143.7	-178.4	0	0	0	0	0	111.6	W470 N471 T474	W470-A476 CarbonylContact C-O 3.48Å; W470-A476 WeakPolarHBondContact CA-O 3.42Å; N471-A476 PolarHBondContact N-O 2.78Å; T474-A476 PolarHBondContact O-N 3.35Å; T474-A476 WeakPolarHBondContact OG1-CB 3.24Å; T474-A476 PolarHBondContact OG1-N 3.34Å
477	L	98	Very high	97.1	Very high	46 Å²	46	37.8 Å²	37.8	24%	0.241	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.6	167.8	-172.9	67.9	0	0	0	109.2	V156 K441 H468 W470 H479	V156-L477 HydrophobicContact CG1-CD2 3.89Å; V156-L477 HydrophobicContact CG1-CG 3.77Å; K441-L477 HydrophobicContact CG-CD2 4.35Å; H468-L477 HydrophobicContact CB-CD1 3.61Å; W470-L477 HydrophobicContact CD2-CD1 4.08Å; W470-L477 HydrophobicContact CE3-CB 4Å; W470-L477 HydrophobicContact CE3-CD1 3.9Å; W470-L477 HydrophobicContact CH2-CD1 4.15Å; W470-L477 HydrophobicContact CZ2-CD1 4.26Å; W470-L477 HydrophobicContact CZ3-CB 3.92Å; W470-L477 HydrophobicContact CZ3-CD1 3.94Å; W470-L477 HydrophobicContact CZ3-CG 4.48Å; L477-H479 WeakPolarHBondContact CD1-O 3.38Å
478	V	97.1	Very high	97	Very high	45 Å²	45	40 Å²	40	27%	0.273	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-39.4	-177.1	-173.9	0	0	0	0	111.5	I469 N471	I469-V478 PolarHBondContact O-N 3.28Å; N471-V478 HydrophobicContact CB-CG2 3.71Å
479	H	97.7	Very high	97	Very high	53 Å²	53	42 Å²	42	25%	0.245	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.1	171.8	-61.4	-67.8	0	0	0	112	V156 I158 I469 L477 L513	V156-H479 CarbonylContact O-C 3.59Å; V156-H479 VanDerWaalsContact O-CA 3.23Å; V156-H479 WeakPolarHBondContact O-CA 3.26Å; I158-H479 HydrophobicContact CD1-CB 3.95Å; I158-H479 HydrophobicContact CG1-CB 3.86Å; I469-H479 HydrophobicContact CB-CB 3.86Å; I469-H479 HydrophobicContact CG1-CB 3.79Å; I469-H479 PolarHBondContact N-O 3.15Å; I469-H479 PolarHBondContact O-N 2.93Å; L477-H479 WeakPolarHBondContact CD1-O 3.38Å; H479-L513 HydrophobicContact CB-CD2 4.29Å
480	S	97.7	Very high	97	Very high	11 Å²	11	42 Å²	42	8%	0.077	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.9	174.7	171.8	0	0	0	0	109.8	V156 E157 I158 V467	V156-S480 PolarHBondContact O-N 3.01Å; E157-S480 CarbonylContact C-O 3.58Å; E157-S480 WeakPolarHBondContact CA-O 3.35Å; E157-S480 WeakPolarHBondContact OE2-CB 3.33Å; E157-S480 PolarHBondContact OE2-OG 2.66Å; I158-S480 WeakPolarHBondContact CG1-O 3.41Å; I158-S480 PolarHBondContact N-O 3.34Å; V467-S480 WeakPolarHBondContact O-CA 3.42Å
481	Y	98.3	Very high	97	Very high	24 Å²	24	42.2 Å²	42.2	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	130.5	170.8	168.3	-100.5	0	0	0	109.7	A163 C466 V467 C509 L511	A163-Y481 HydrophobicContact CB-CD2 3.86Å; A163-Y481 HydrophobicContact CB-CE2 3.46Å; A163-Y481 VanDerWaalsContact CB-CE2 3.46Å; C466-Y481 CarbonylContact C-O 3.57Å; C466-Y481 VanDerWaalsContact CA-O 3.27Å; C466-Y481 WeakPolarHBondContact CA-O 3.16Å; V467-Y481 PolarHBondContact N-O 2.88Å; V467-Y481 PolarHBondContact O-N 2.79Å; Y481-C509 HydrophobicContact CE1-CB 4.01Å; Y481-C509 PolarHBondContact OH-SG 2.92Å; Y481-L511 HydrophobicContact CD1-CD1 4.02Å; Y481-L511 HydrophobicContact CD1-CD2 3.6Å; Y481-L511 HydrophobicContact CD1-CG 4.41Å; Y481-L511 HydrophobicContact CD2-CD2 3.7Å; Y481-L511 HydrophobicContact CE1-CD2 3.97Å; Y481-L511 HydrophobicContact CE2-CD2 4.07Å; Y481-L511 HydrophobicContact CG-CD1 4.04Å; Y481-L511 HydrophobicContact CG-CD2 3.44Å; Y481-L511 VanDerWaalsContact CG-CD2 3.44Å; Y481-L511 HydrophobicContact CG-CG 4.4Å
482	R	97.7	Very high	97	Very high	160 Å²	160	41.5 Å²	41.5	60%	0.604	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.5	172.5	-166.4	163.9	-154.1	-110	-1.9	112.7	E157 D464	E157-R482 PolarHBondContact OE1-N 2.83Å; D464-R482 PolarHBondContact O-NH2 2.98Å
483	G	94.3	Very high	97	Very high	10 Å²	10	41.2 Å²	41.2	10%	0.103	22%	0.217	C	C	.	.			trans	-90.7	-167.9	174.4	0	0	0	0	0	113.8	K465	K465-G483 PolarHBondContact O-N 3.21Å
484	T	93.4	Very high	97	Very high	77 Å²	77	36.9 Å²	36.9	47%	0.472	21%	0.207	S	C	.	.	S	Bend	trans	-101.8	-27.1	-178	44	0	0	0	0	114.2	K465 D505	K465-T484 WeakPolarHBondContact CD-O 3.31Å; K465-T484 WeakPolarHBondContact CE-O 3.25Å; K465-T484 PolarHBondContact NZ-O 3.46Å; T484-D505 VanDerWaalsContact CB-OD2 3.25Å; T484-D505 WeakPolarHBondContact CB-OD2 3.41Å; T484-D505 PolarHBondContact OG1-OD2 2.86Å
485	G	91.9	Very high	97	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	-112.6	162.4	176.3	0	0	0	0	0	113	K465 D505	K465-G485 WeakPolarHBondContact CA-O 3.49Å; K465-G485 VanDerWaalsContact CB-O 3.31Å; K465-G485 WeakPolarHBondContact CB-O 3.3Å; K465-G485 WeakPolarHBondContact CG-O 3.46Å; G485-D505 PolarHBondContact N-OD2 3.38Å
486	G	95.6	Very high	97	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.021	22%	0.216	C	C	.	.			trans	-68.2	140	173.1	0	0	0	0	0	110.3	A503 S504	G486-A503 CarbonylContact O-C 3.54Å; G486-A503 VanDerWaalsContact O-CA 3.24Å; G486-A503 WeakPolarHBondContact O-CA 3.41Å; G486-S504 PolarHBondContact N-OG 3.36Å; G486-S504 PolarHBondContact O-N 3.28Å
487	I	97.8	Very high	97	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.1	-172.7	-51.3	-57.7	0	0	0	110.3	S462 V467 V490 A501 A503	S462-I487 WeakPolarHBondContact O-CB 3.46Å; S462-I487 PolarHBondContact O-N 3.45Å; V467-I487 HydrophobicContact CG2-CD1 4.3Å; V467-I487 HydrophobicContact CG2-CG1 4.07Å; V467-I487 HydrophobicContact CG2-CG2 4.42Å; I487-V490 HydrophobicContact CG2-CG1 3.78Å; I487-A501 HydrophobicContact CD1-CB 4.48Å; I487-A501 HydrophobicContact CG2-CB 4.2Å; I487-A503 HydrophobicContact CD1-CB 4.07Å
488	F	95.8	Very high	97	Very high	46 Å²	46	34.9 Å²	34.9	20%	0.202	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-49.4	175	-76.9	-68.4	0	0	0	112.2	E172 V173 F174 S448 F463 S502	E172-F488 HydrophobicContact CB-CE2 3.89Å; E172-F488 HydrophobicContact CG-CE2 4.44Å; V173-F488 WeakPolarHBondContact O-CD2 3.41Å; F174-F488 HydrophobicContact CD1-CD2 4.4Å; F174-F488 HydrophobicContact CD1-CE1 4.37Å; F174-F488 HydrophobicContact CD1-CE2 4.21Å; F174-F488 HydrophobicContact CD1-CZ 4.19Å; F174-F488 HydrophobicContact CE1-CE2 4.47Å; F174-F488 HydrophobicContact CE1-CZ 4.27Å; F174-F488 VanDerWaalsContact O-CB 3.28Å; F174-F488 WeakPolarHBondContact O-CB 3.44Å; S448-F488 VanDerWaalsContact CB-O 3.26Å; S448-F488 WeakPolarHBondContact CB-O 3.33Å; F463-F488 AromaticContact CE2-CD1 3.9Å; F463-F488 HydrophobicContact CE2-CD1 3.9Å; F463-F488 HydrophobicContact CE2-CD2 4.46Å; F463-F488 AromaticContact CE2-CE1 3.59Å; F463-F488 HydrophobicContact CE2-CE1 3.59Å; F463-F488 HydrophobicContact CE2-CE2 4.19Å; F463-F488 HydrophobicContact CE2-CG 4.33Å; F463-F488 AromaticContact CE2-CZ 3.77Å; F463-F488 HydrophobicContact CE2-CZ 3.77Å; F463-F488 HydrophobicContact CZ-CD1 4.48Å; F463-F488 AromaticContact CZ-CE1 3.74Å; F463-F488 HydrophobicContact CZ-CE1 3.74Å; F463-F488 HydrophobicContact CZ-CE2 4.13Å; F463-F488 AromaticContact CZ-CZ 3.54Å; F463-F488 HydrophobicContact CZ-CZ 3.54Å; F488-S502 PolarHBondContact N-O 2.79Å
489	E	98.3	Very high	97.1	Very high	50 Å²	50	32.8 Å²	32.8	23%	0.234	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.4	-177.8	-169	163.3	-146.6	0	0	112.2	I175 C176 A501 S502	I175-E489 WeakPolarHBondContact CA-OE2 3.2Å; I175-E489 WeakPolarHBondContact CB-OE2 3.2Å; I175-E489 WeakPolarHBondContact CG2-OE2 3.36Å; C176-E489 PolarHBondContact N-OE2 3.2Å; E489-A501 CarbonylContact O-C 3.48Å; E489-A501 VanDerWaalsContact O-CA 3.26Å; E489-A501 WeakPolarHBondContact O-CA 3.41Å; E489-S502 PolarHBondContact N-OG 3.27Å; E489-S502 PolarHBondContact O-N 3.26Å
490	V	98.9	Very high	97.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.1	168	-64.7	0	0	0	0	110.1	S448 A450 A459 V467 I487 V499 G500 A501	S448-V490 PolarHBondContact OG-N 3.31Å; A450-V490 HydrophobicContact CB-CG2 4.37Å; A450-V490 WeakPolarHBondContact CB-O 3.37Å; A459-V490 HydrophobicContact CB-CB 4.32Å; A459-V490 HydrophobicContact CB-CG2 3.99Å; V467-V490 HydrophobicContact CG1-CG1 4.15Å; V467-V490 HydrophobicContact CG2-CG1 4.08Å; I487-V490 HydrophobicContact CG2-CG1 3.78Å; V490-V499 HydrophobicContact CB-CG1 4.48Å; V490-G500 CarbonylContact C-O 3.56Å; V490-G500 VanDerWaalsContact CA-O 3.29Å; V490-G500 WeakPolarHBondContact CA-O 3.35Å; V490-A501 HydrophobicContact CG1-CB 4.08Å
491	C	98.7	Very high	97.2	Very high	16 Å²	16	29.7 Å²	29.7	11%	0.108	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	151	178.7	61.1	0	0	0	0	112.2	C176 W178 V499 G500	C176-C491 PolarHBondContact O-SG 3.13Å; C176-C491 VanDerWaalsContact SG-SG 3.65Å; W178-C491 PolarHBondContact NE1-O 2.95Å; C491-V499 CarbonylContact O-C 3.51Å; C491-V499 WeakPolarHBondContact O-CA 3.5Å; C491-G500 PolarHBondContact N-O 2.87Å; C491-G500 PolarHBondContact O-N 3.49Å
492	W	98.8	Very high	97.2	Very high	26 Å²	26	28.6 Å²	28.6	10%	0.098	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.8	177.5	-69.9	83.7	0	0	0	111.1	W178 A450 F451 H457 A459 I469 G496 V499 L513	W178-W492 VanDerWaalsContact CD1-O 3.24Å; A450-W492 PolarHBondContact O-NE1 3.47Å; F451-W492 VanDerWaalsContact C-CD1 3.47Å; H457-W492 HydrophobicContact CB-CH2 3.83Å; H457-W492 HydrophobicContact CB-CZ2 3.81Å; A459-W492 HydrophobicContact CB-CZ2 4.19Å; I469-W492 HydrophobicContact CD1-CZ2 4.16Å; I469-W492 HydrophobicContact CG2-CH2 3.96Å; I469-W492 HydrophobicContact CG2-CZ2 4Å; W492-G496 VanDerWaalsContact CZ3-O 3.23Å; W492-G496 WeakPolarHBondContact CZ3-O 3.33Å; W492-V499 HydrophobicContact CD2-CG2 3.61Å; W492-V499 HydrophobicContact CE3-CG2 3.64Å; W492-V499 HydrophobicContact CG-CG2 4.29Å; W492-V499 HydrophobicContact CH2-CG2 3.9Å; W492-V499 HydrophobicContact CZ2-CG2 3.83Å; W492-V499 HydrophobicContact CZ3-CG2 3.81Å; W492-L513 HydrophobicContact CE3-CD1 4.47Å; W492-L513 HydrophobicContact CH2-CD1 3.39Å; W492-L513 HydrophobicContact CZ2-CD1 4.41Å; W492-L513 HydrophobicContact CZ3-CD1 3.45Å; W492-L513 VanDerWaalsContact CZ3-CD1 3.45Å
493	N	98.4	Very high	97.1	Very high	2 Å²	2	21 Å²	21	1%	0.011	14%	0.138	C	C	.	.			trans	-71.7	168	165.6	79.1	-27.8	0	0	0	111.1	W178 D183 A495 G496 D497 K498	W178-N493 HydrophobicContact CB-CB 4.36Å; W178-N493 VanDerWaalsContact CD1-N 3.33Å; W178-N493 HydrophobicContact CD2-CB 3.48Å; W178-N493 VanDerWaalsContact CD2-CB 3.48Å; W178-N493 HydrophobicContact CE3-CB 3.69Å; W178-N493 VanDerWaalsContact CG-CA 3.48Å; W178-N493 HydrophobicContact CG-CB 3.79Å; W178-N493 HydrophobicContact CH2-CB 4.34Å; W178-N493 HydrophobicContact CZ2-CB 4.2Å; W178-N493 HydrophobicContact CZ3-CB 4.12Å; D183-N493 PolarHBondContact OD1-ND2 2.87Å; N493-A495 PolarHBondContact O-N 3.08Å; N493-G496 PolarHBondContact O-N 2.74Å; N493-G496 VanDerWaalsContact O-N 3.07Å; N493-G496 PolarHBondContact OD1-N 3.07Å; N493-D497 PolarHBondContact ND2-OD1 3.01Å; N493-D497 PolarHBondContact OD1-N 2.82Å; N493-D497 PolarHBondContact OD1-OD1 2.65Å; N493-K498 HydrophobicContact CB-CB 4.31Å; N493-K498 PolarHBondContact N-O 2.95Å; N493-K498 PolarHBondContact OD1-N 3.07Å; N493-K498 PolarHBondContact OD1-O 2.85Å
494	A	96.8	Very high	97.1	Very high	57 Å²	57	22.6 Å²	22.6	47%	0.471	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.6	-177	0	0	0	0	0	113.5	P180	P180-A494 WeakPolarHBondContact O-CB 3.02Å
495	A	96.8	Very high	96.9	Very high	75 Å²	75	21.9 Å²	21.9	62%	0.62	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.3	178.3	0	0	0	0	0	113.4	N493 D497	N493-A495 PolarHBondContact O-N 3.08Å; A495-D497 VanDerWaalsContact C-N 3.32Å
496	G	97.4	Very high	96.9	Very high	23 Å²	23	21.9 Å²	21.9	24%	0.237	14%	0.14	C	C	.	.	S	Bend	trans	73.5	22.9	-174.7	0	0	0	0	0	113.7	W492 N493	W492-G496 VanDerWaalsContact CZ3-O 3.23Å; W492-G496 WeakPolarHBondContact CZ3-O 3.33Å; N493-G496 PolarHBondContact O-N 2.74Å; N493-G496 VanDerWaalsContact O-N 3.07Å; N493-G496 PolarHBondContact OD1-N 3.07Å
497	D	97.1	Very high	96.9	Very high	39 Å²	39	21.9 Å²	21.9	21%	0.209	14%	0.14	C	C	.	.	S	Bend	trans	-112.8	-10.9	-179.1	73	-8.9	0	0	0	113.5	N493 A495 L513 R514	N493-D497 PolarHBondContact ND2-OD1 3.01Å; N493-D497 PolarHBondContact OD1-N 2.82Å; N493-D497 PolarHBondContact OD1-OD1 2.65Å; A495-D497 VanDerWaalsContact C-N 3.32Å; D497-L513 WeakPolarHBondContact O-CB 3.18Å; D497-L513 PolarHBondContact O-N 2.94Å; D497-R514 HydrophobicContact CB-CG 3.98Å
498	K	98.3	Very high	96.9	Very high	13 Å²	13	21.8 Å²	21.8	6%	0.057	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.4	174.9	-62.5	177.5	-164.2	77.8	0	111.5	W178 D183 N493 V510 L511	W178-K498 HydrophobicContact CH2-CB 4.09Å; W178-K498 HydrophobicContact CH2-CD 3.98Å; W178-K498 HydrophobicContact CZ2-CB 3.84Å; D183-K498 IonicContact OD2-NZ 3.92Å; D183-K498 PolarHBondContact OD2-NZ 3.46Å; N493-K498 HydrophobicContact CB-CB 4.31Å; N493-K498 PolarHBondContact N-O 2.95Å; N493-K498 PolarHBondContact OD1-N 3.07Å; N493-K498 PolarHBondContact OD1-O 2.85Å; K498-V510 HydrophobicContact CB-CG1 4.47Å; K498-V510 HydrophobicContact CD-CG1 4.29Å; K498-L511 CarbonylContact C-O 3.57Å; K498-L511 VanDerWaalsContact CA-O 3.23Å; K498-L511 WeakPolarHBondContact CA-O 3.47Å
499	V	98.8	Very high	97	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.7	172.2	173.5	0	0	0	0	109.5	A459 V467 I469 V490 C491 W492 V510 L511 L513	A459-V499 HydrophobicContact CB-CG1 4.28Å; A459-V499 HydrophobicContact CB-CG2 4.49Å; V467-V499 HydrophobicContact CG1-CG1 4.32Å; I469-V499 HydrophobicContact CD1-CG1 4.49Å; I469-V499 HydrophobicContact CD1-CG2 3.92Å; V490-V499 HydrophobicContact CB-CG1 4.48Å; C491-V499 CarbonylContact O-C 3.51Å; C491-V499 WeakPolarHBondContact O-CA 3.5Å; W492-V499 HydrophobicContact CD2-CG2 3.61Å; W492-V499 HydrophobicContact CE3-CG2 3.64Å; W492-V499 HydrophobicContact CG-CG2 4.29Å; W492-V499 HydrophobicContact CH2-CG2 3.9Å; W492-V499 HydrophobicContact CZ2-CG2 3.83Å; W492-V499 HydrophobicContact CZ3-CG2 3.81Å; V499-V510 CarbonylContact O-C 3.51Å; V499-V510 WeakPolarHBondContact O-CA 3.47Å; V499-L511 HydrophobicContact CB-CB 4.34Å; V499-L511 PolarHBondContact N-O 3.29Å; V499-L511 PolarHBondContact O-N 3.02Å; V499-L513 HydrophobicContact CG2-CD1 3.8Å
500	G	98.6	Very high	97	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	143.1	168	0	0	0	0	0	109.7	V490 C491 C509	V490-G500 CarbonylContact C-O 3.56Å; V490-G500 VanDerWaalsContact CA-O 3.29Å; V490-G500 WeakPolarHBondContact CA-O 3.35Å; C491-G500 PolarHBondContact N-O 2.87Å; C491-G500 PolarHBondContact O-N 3.49Å; G500-C509 CarbonylContact C-O 3.6Å; G500-C509 WeakPolarHBondContact CA-O 3.03Å
501	A	98.8	Very high	97	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.3	173.2	0	0	0	0	0	110.8	V467 I487 E489 V490 V508 C509	V467-A501 HydrophobicContact CG2-CB 3.74Å; I487-A501 HydrophobicContact CD1-CB 4.48Å; I487-A501 HydrophobicContact CG2-CB 4.2Å; E489-A501 CarbonylContact O-C 3.48Å; E489-A501 VanDerWaalsContact O-CA 3.26Å; E489-A501 WeakPolarHBondContact O-CA 3.41Å; V490-A501 HydrophobicContact CG1-CB 4.08Å; A501-V508 CarbonylContact O-C 3.59Å; A501-V508 WeakPolarHBondContact O-CA 3.49Å; A501-C509 HydrophobicContact CB-CB 4.49Å; A501-C509 PolarHBondContact N-O 3.3Å; A501-C509 PolarHBondContact O-N 3.42Å
502	S	98.4	Very high	96.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.4	176.4	62.7	0	0	0	0	111	V173 F488 E489	V173-S502 CarbonylContact O-C 3.53Å; V173-S502 VanDerWaalsContact O-CB 3.24Å; V173-S502 WeakPolarHBondContact O-CB 3.28Å; V173-S502 PolarHBondContact O-OG 2.94Å; V173-S502 VanDerWaalsContact O-OG 3.14Å; F488-S502 PolarHBondContact N-O 2.79Å; E489-S502 PolarHBondContact N-OG 3.27Å; E489-S502 PolarHBondContact O-N 3.26Å
503	A	97	Very high	96.7	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.017	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	161.3	-169.2	0	0	0	0	0	114.2	V173 G486 I487 D505 G506 S507	V173-A503 PolarHBondContact N-O 3.23Å; G486-A503 CarbonylContact O-C 3.54Å; G486-A503 VanDerWaalsContact O-CA 3.24Å; G486-A503 WeakPolarHBondContact O-CA 3.41Å; I487-A503 HydrophobicContact CD1-CB 4.07Å; A503-D505 WeakPolarHBondContact CB-OD1 3.39Å; A503-D505 PolarHBondContact O-N 3.49Å; A503-G506 PolarHBondContact O-N 3.03Å; A503-S507 WeakPolarHBondContact CB-OG 3.44Å; A503-S507 PolarHBondContact N-O 2.9Å
504	S	93.4	Very high	96.4	Very high	42 Å²	42	22.7 Å²	22.7	29%	0.294	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.5	-177.6	74.4	0	0	0	0	115.1	G486	G486-S504 PolarHBondContact N-OG 3.36Å; G486-S504 PolarHBondContact O-N 3.28Å
505	D	90.5	Very high	95.4	Very high	62 Å²	62	32.4 Å²	32.4	33%	0.332	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	14.5	-178.2	72	-22.1	0	0	0	113.1	T484 G485 A503 S507	T484-D505 VanDerWaalsContact CB-OD2 3.25Å; T484-D505 WeakPolarHBondContact CB-OD2 3.41Å; T484-D505 PolarHBondContact OG1-OD2 2.86Å; G485-D505 PolarHBondContact N-OD2 3.38Å; A503-D505 WeakPolarHBondContact CB-OD1 3.39Å; A503-D505 PolarHBondContact O-N 3.49Å; D505-S507 VanDerWaalsContact C-N 3.28Å; D505-S507 PolarHBondContact O-N 3.35Å; D505-S507 VanDerWaalsContact OD1-CB 3.29Å; D505-S507 WeakPolarHBondContact OD1-CB 3.4Å; D505-S507 PolarHBondContact OD1-N 3.41Å; D505-S507 VanDerWaalsContact OD1-N 3.11Å; D505-S507 PolarHBondContact OD1-OG 3.02Å
506	G	90.9	Very high	95.4	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.031	15%	0.151	C	C	.	.	S	Bend	trans	82.1	0.5	-177.6	0	0	0	0	0	114.6	S171 A503	S171-G506 WeakPolarHBondContact O-CA 3.49Å; A503-G506 PolarHBondContact O-N 3.03Å
507	S	95.8	Very high	95.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	15%	0.147	C	C	.	.			trans	-84.3	146.7	176.9	67.7	0	0	0	0	112.7	A503 D505	A503-S507 WeakPolarHBondContact CB-OG 3.44Å; A503-S507 PolarHBondContact N-O 2.9Å; D505-S507 VanDerWaalsContact C-N 3.28Å; D505-S507 PolarHBondContact O-N 3.35Å; D505-S507 VanDerWaalsContact OD1-CB 3.29Å; D505-S507 WeakPolarHBondContact OD1-CB 3.4Å; D505-S507 PolarHBondContact OD1-N 3.41Å; D505-S507 VanDerWaalsContact OD1-N 3.11Å; D505-S507 PolarHBondContact OD1-OG 3.02Å
508	V	98.2	Very high	95.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.3	165.2	179	0	0	0	0	107.3	L166 V173 L185 W197 A501	L166-V508 WeakPolarHBondContact CA-O 3.36Å; L166-V508 HydrophobicContact CB-CB 4.22Å; L166-V508 VanDerWaalsContact CB-O 3.26Å; L166-V508 WeakPolarHBondContact CB-O 3.38Å; L166-V508 HydrophobicContact CD1-CG1 4.28Å; L166-V508 PolarHBondContact N-O 3.18Å; L166-V508 PolarHBondContact O-N 2.98Å; V173-V508 HydrophobicContact CB-CG2 4.38Å; V173-V508 HydrophobicContact CG1-CG2 3.88Å; V173-V508 HydrophobicContact CG2-CG2 4.16Å; L185-V508 HydrophobicContact CD2-CG1 3.57Å; W197-V508 HydrophobicContact CZ2-CB 4.46Å; W197-V508 HydrophobicContact CZ2-CG2 4.15Å; A501-V508 CarbonylContact O-C 3.59Å; A501-V508 WeakPolarHBondContact O-CA 3.49Å
509	C	97.8	Very high	95	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.9	-179.8	-61.5	0	0	0	0	110.6	M164 Y481 G500 A501 L511	M164-C509 CarbonylContact O-C 3.51Å; M164-C509 WeakPolarHBondContact O-CA 3.34Å; Y481-C509 HydrophobicContact CE1-CB 4.01Å; Y481-C509 PolarHBondContact OH-SG 2.92Å; G500-C509 CarbonylContact C-O 3.6Å; G500-C509 WeakPolarHBondContact CA-O 3.03Å; A501-C509 HydrophobicContact CB-CB 4.49Å; A501-C509 PolarHBondContact N-O 3.3Å; A501-C509 PolarHBondContact O-N 3.42Å; C509-L511 HydrophobicContact CB-CD2 4.45Å
510	V	98.1	Very high	94.7	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.055	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.4	172	177.4	0	0	0	0	107.7	M164 L166 W178 L185 L199 K498 V499	M164-V510 HydrophobicContact CB-CB 4.29Å; M164-V510 PolarHBondContact N-O 2.95Å; M164-V510 PolarHBondContact O-N 2.98Å; L166-V510 HydrophobicContact CD1-CG2 3.81Å; L166-V510 HydrophobicContact CG-CG2 4.39Å; W178-V510 HydrophobicContact CH2-CG1 3.98Å; W178-V510 HydrophobicContact CZ2-CG1 3.94Å; W178-V510 HydrophobicContact CZ2-CG2 4.47Å; L185-V510 HydrophobicContact CD2-CG2 3.85Å; L199-V510 HydrophobicContact CD1-CB 4.41Å; L199-V510 HydrophobicContact CD1-CG1 4.16Å; L199-V510 HydrophobicContact CD1-CG2 3.48Å; L199-V510 VanDerWaalsContact CD1-CG2 3.48Å; L199-V510 HydrophobicContact CD2-CG2 4.24Å; K498-V510 HydrophobicContact CB-CG1 4.47Å; K498-V510 HydrophobicContact CD-CG1 4.29Å; V499-V510 CarbonylContact O-C 3.51Å; V499-V510 WeakPolarHBondContact O-CA 3.47Å
511	L	98.1	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.8	-174.5	-52	178.4	0	0	0	108.9	I158 A163 V467 Y481 K498 V499 C509 L513	I158-L511 HydrophobicContact CD1-CB 3.88Å; I158-L511 HydrophobicContact CD1-CD1 4.04Å; I158-L511 HydrophobicContact CD1-CG 4.36Å; A163-L511 HydrophobicContact CB-CD2 3.92Å; V467-L511 HydrophobicContact CB-CD1 3.92Å; V467-L511 HydrophobicContact CG1-CD1 3.87Å; V467-L511 HydrophobicContact CG2-CD1 4.26Å; Y481-L511 HydrophobicContact CD1-CD1 4.02Å; Y481-L511 HydrophobicContact CD1-CD2 3.6Å; Y481-L511 HydrophobicContact CD1-CG 4.41Å; Y481-L511 HydrophobicContact CD2-CD2 3.7Å; Y481-L511 HydrophobicContact CE1-CD2 3.97Å; Y481-L511 HydrophobicContact CE2-CD2 4.07Å; Y481-L511 HydrophobicContact CG-CD1 4.04Å; Y481-L511 HydrophobicContact CG-CD2 3.44Å; Y481-L511 VanDerWaalsContact CG-CD2 3.44Å; Y481-L511 HydrophobicContact CG-CG 4.4Å; K498-L511 CarbonylContact C-O 3.57Å; K498-L511 VanDerWaalsContact CA-O 3.23Å; K498-L511 WeakPolarHBondContact CA-O 3.47Å; V499-L511 HydrophobicContact CB-CB 4.34Å; V499-L511 PolarHBondContact N-O 3.29Å; V499-L511 PolarHBondContact O-N 3.02Å; C509-L511 HydrophobicContact CB-CD2 4.45Å; L511-L513 HydrophobicContact CB-CD2 4.43Å
512	D	96.6	Very high	94.2	Very high	32 Å²	32	37.9 Å²	37.9	17%	0.171	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.6	175.3	-174.9	-9.9	0	0	0	110.3	K162 R514	K162-D512 HydrophobicContact CB-CB 4.14Å; K162-D512 HydrophobicContact CG-CB 4.48Å; K162-D512 PolarHBondContact O-N 3.33Å; D512-R514 VanDerWaalsContact CG-NE 3.34Å; D512-R514 WeakPolarHBondContact OD1-CB 3.49Å; D512-R514 VanDerWaalsContact OD1-CG 3.3Å; D512-R514 WeakPolarHBondContact OD1-CG 3.47Å; D512-R514 IonicContact OD1-CZ 3.53Å; D512-R514 PolarHBondContact OD1-N 3.15Å; D512-R514 IonicContact OD1-NE 3.91Å; D512-R514 PolarHBondContact OD1-NE 3.14Å; D512-R514 IonicContact OD1-NH2 3.34Å; D512-R514 IonicContact OD2-CZ 3.84Å; D512-R514 VanDerWaalsContact OD2-CZ 3.26Å; D512-R514 IonicContact OD2-NE 3.71Å; D512-R514 PolarHBondContact OD2-NE 2.95Å; D512-R514 VanDerWaalsContact OD2-NE 3.1Å; D512-R514 IonicContact OD2-NH2 3.12Å; D512-R514 PolarHBondContact OD2-NH2 3.18Å
513	L	95.7	Very high	93.9	Very high	24 Å²	24	40.8 Å²	40.8	13%	0.126	19%	0.194	C	C	.	.			trans	-100.7	5	-174.6	-53.4	-175.2	0	0	0	113.2	I158 I469 H479 W492 D497 V499 L511	I158-L513 HydrophobicContact CD1-CD2 3.39Å; I158-L513 HydrophobicContact CG1-CD2 4.28Å; I469-L513 HydrophobicContact CD1-CD1 4.41Å; I469-L513 HydrophobicContact CG1-CD1 4.17Å; I469-L513 HydrophobicContact CG1-CD2 4.39Å; I469-L513 HydrophobicContact CG2-CD1 4.44Å; H479-L513 HydrophobicContact CB-CD2 4.29Å; W492-L513 HydrophobicContact CE3-CD1 4.47Å; W492-L513 HydrophobicContact CH2-CD1 3.39Å; W492-L513 HydrophobicContact CZ2-CD1 4.41Å; W492-L513 HydrophobicContact CZ3-CD1 3.45Å; W492-L513 VanDerWaalsContact CZ3-CD1 3.45Å; D497-L513 WeakPolarHBondContact O-CB 3.18Å; D497-L513 PolarHBondContact O-N 2.94Å; V499-L513 HydrophobicContact CG2-CD1 3.8Å; L511-L513 HydrophobicContact CB-CD2 4.43Å
514	R	92	Very high	93.6	Very high	93 Å²	93	44 Å²	44	35%	0.351	21%	0.209	S	C	.	.			trans	-66	148.5	176.3	-63.9	173.9	-68.6	-174.4	-3.2	109.9	K162 E201 D497 D512	K162-R514 WeakPolarHBondContact CE-O 3.49Å; K162-R514 PolarHBondContact NZ-O 3.46Å; E201-R514 IonicContact OE1-CZ 2.73Å; E201-R514 IonicContact OE1-NH1 3.63Å; E201-R514 PolarHBondContact OE1-NH1 3.35Å; E201-R514 IonicContact OE1-NH2 3.67Å; E201-R514 PolarHBondContact OE1-NH2 3.17Å; E201-R514 IonicContact OE2-NH1 3.3Å; D497-R514 HydrophobicContact CB-CG 3.98Å; D512-R514 VanDerWaalsContact CG-NE 3.34Å; D512-R514 WeakPolarHBondContact OD1-CB 3.49Å; D512-R514 VanDerWaalsContact OD1-CG 3.3Å; D512-R514 WeakPolarHBondContact OD1-CG 3.47Å; D512-R514 IonicContact OD1-CZ 3.53Å; D512-R514 PolarHBondContact OD1-N 3.15Å; D512-R514 IonicContact OD1-NE 3.91Å; D512-R514 PolarHBondContact OD1-NE 3.14Å; D512-R514 IonicContact OD1-NH2 3.34Å; D512-R514 IonicContact OD2-CZ 3.84Å; D512-R514 VanDerWaalsContact OD2-CZ 3.26Å; D512-R514 IonicContact OD2-NE 3.71Å; D512-R514 PolarHBondContact OD2-NE 2.95Å; D512-R514 VanDerWaalsContact OD2-NE 3.1Å; D512-R514 IonicContact OD2-NH2 3.12Å; D512-R514 PolarHBondContact OD2-NH2 3.18Å
515	K	76.1	Confident	93.6	Very high	260 Å²	260	44.2 Å²	44.2	100%	1.13	20%	0.201	S	C	*	.			trans	-72.5	0	179.6	-72	-169.9	175.7	-173.5	0	111.8	K162	K162-K515 PolarHBondContact NZ-OXT 3.17Å

Retrieved 515 of 515 residues in 134.9 ms (Link to these results)

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