A0A3Q0KTF5_SCHMA Loading...

Mannosyl-glycoprotein endo-beta-N-acetylglucosaminidase

AlphaFold DB , UniProt , Accession A0A3Q0KTF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 654 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	27.8	Very low	39.2	Very low	242 Å²	242	141.6 Å²	141.6	100%	1.192	76%	0.759	S	S	*	*				0	131	0	-79.4	179.4	173.5	0	0	107.9
2	R	28.3	Very low	43.4	Very low	242 Å²	242	135.8 Å²	135.8	91%	0.913	73%	0.727	S	S	*	*			trans	105.5	72.3	-165.8	-68.1	-179.3	-175.9	-169.1	2.2	111.5
3	S	25.7	Very low	47.2	Very low	111 Å²	111	125.8 Å²	125.8	78%	0.776	67%	0.674	S	S	*	*				70.4	76.9	87.2	77.4	0	0	0	0	113.7
4	T	28.7	Very low	50.5	Low	147 Å²	147	126.4 Å²	126.4	90%	0.902	67%	0.667	S	S	*	*			trans	-104.2	80.3	156.9	44.9	0	0	0	0	107.7
5	M	25	Very low	53.5	Low	163 Å²	163	119.9 Å²	119.9	80%	0.803	64%	0.636	S	S	*	*			trans	-90.2	109.8	154.9	-85.7	-175.4	162.4	0	0	106.4
6	C	28.3	Very low	56.1	Low	137 Å²	137	112.5 Å²	112.5	93%	0.926	60%	0.596	S	S	*	*			trans	-138.9	74.2	153.2	-89.2	0	0	0	0	105.2
7	D	28.7	Very low	58.2	Low	129 Å²	129	108.9 Å²	108.9	69%	0.69	58%	0.582	S	S	*	*			trans	-60.1	132.4	167.3	-89.7	-33.6	0	0	0	110.5
8	E	33.6	Very low	60	Low	176 Å²	176	105.9 Å²	105.9	82%	0.822	57%	0.569	S	S	*	*	S	Bend	trans	23.5	115.8	133	-59.3	-173.6	162.7	0	0	119
9	S	52	Low	61.5	Low	122 Å²	122	101.3 Å²	101.3	85%	0.853	54%	0.544	S	S	*	.			trans	96.4	83.6	170.7	78.4	0	0	0	0	117.1
10	S	70.3	Confident	62.9	Low	41 Å²	41	102.2 Å²	102.2	29%	0.287	54%	0.544	S	S	.	.			trans	-58.6	141.1	165	60.6	0	0	0	0	111.1	I12 N77	S10-I12 PolarHBondContact O-N 3.01Å; S10-N77 VanDerWaalsContact CB-ND2 3.31Å; S10-N77 WeakPolarHBondContact CB-ND2 3.14Å; S10-N77 WeakPolarHBondContact CB-OD1 3.14Å; S10-N77 PolarHBondContact OG-ND2 2.97Å
11	Y	82.8	Confident	64.3	Low	48 Å²	48	101.4 Å²	101.4	19%	0.188	54%	0.537	C	S	.	.			trans	-52.8	133.5	172.6	-177.4	-105.4	0	0	0	112.5	F27 P28 L33 V109	Y11-F27 HydrophobicContact CD1-CE2 4.01Å; Y11-F27 HydrophobicContact CE1-CD2 4.03Å; Y11-F27 AromaticContact CE1-CE2 3.47Å; Y11-F27 HydrophobicContact CE1-CE2 3.47Å; Y11-F27 VanDerWaalsContact CE1-CE2 3.47Å; Y11-F27 HydrophobicContact CE1-CZ 4.41Å; Y11-F27 AromaticContact CE2-CD2 3.88Å; Y11-F27 HydrophobicContact CE2-CD2 3.88Å; Y11-F27 HydrophobicContact CE2-CE2 4.11Å; Y11-F27 AromaticContact CZ-CD2 3.55Å; Y11-F27 AromaticContact CZ-CE2 3.51Å; Y11-P28 HydrophobicContact CD2-CG 3.49Å; Y11-P28 VanDerWaalsContact CD2-CG 3.49Å; Y11-P28 HydrophobicContact CE2-CG 4.25Å; Y11-P28 HydrophobicContact CG-CG 4.07Å; Y11-L33 HydrophobicContact CG-CD1 4.44Å; Y11-V109 HydrophobicContact CD1-CG2 4.09Å; Y11-V109 HydrophobicContact CE1-CG2 4.2Å
12	I	89.6	Confident	67.4	Low	72 Å²	72	89.9 Å²	89.9	37%	0.369	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-112.9	118.6	172.6	-60	178.9	0	0	0	107.3	S10 R74	S10-I12 PolarHBondContact O-N 3.01Å; I12-R74 HydrophobicContact CG2-CB 4.41Å; I12-R74 HydrophobicContact CG2-CG 3.86Å
13	S	92.7	Very high	70.3	Confident	6 Å²	6	81.9 Å²	81.9	4%	0.042	46%	0.456	C	S	.	.			trans	-67	135.8	178.4	-56	0	0	0	0	110.3	R74 P108 V109	S13-R74 WeakPolarHBondContact CB-O 3.26Å; S13-R74 PolarHBondContact N-O 3.43Å; S13-R74 PolarHBondContact OG-O 3.46Å; S13-P108 WeakPolarHBondContact OG-CA 3.34Å; S13-V109 PolarHBondContact OG-N 2.86Å
14	K	93.6	Very high	73.3	Confident	133 Å²	133	82.6 Å²	82.6	58%	0.578	45%	0.446	S	S	*	.			trans	-141.4	152	-179.8	-65.9	179.7	-173.9	176	0	109.9
15	P	95.4	Very high	76.3	Confident	30 Å²	30	77.2 Å²	77.2	20%	0.195	41%	0.409	C	S	.	.			trans	-69.5	169.7	168.3	32.4	-36.4	0	0	0	111.2	Y69 Q102	P15-Y69 HydrophobicContact CB-CD2 4.39Å; P15-Y69 HydrophobicContact CB-CE2 3.69Å; P15-Y69 HydrophobicContact CG-CD2 4.23Å; P15-Y69 HydrophobicContact CG-CE2 4.02Å; P15-Q102 HydrophobicContact CB-CB 3.44Å; P15-Q102 VanDerWaalsContact CB-CB 3.44Å; P15-Q102 HydrophobicContact CB-CG 3.55Å; P15-Q102 HydrophobicContact CG-CB 4.14Å; P15-Q102 HydrophobicContact CG-CG 3.69Å
16	I	95.1	Very high	79.2	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-112.5	116.1	167.4	-54.7	167.7	0	0	0	106.9	T18 E21 L22 W25 I104 V106 I166	I16-T18 WeakPolarHBondContact CG2-O 3.42Å; I16-E21 HydrophobicContact CG2-CB 3.76Å; I16-L22 HydrophobicContact CD1-CD1 4.01Å; I16-L22 HydrophobicContact CG2-CB 3.81Å; I16-W25 HydrophobicContact CD1-CB 4.11Å; I16-W25 VanDerWaalsContact CD1-CD1 3.43Å; I16-W25 HydrophobicContact CD1-CD2 4.36Å; I16-W25 HydrophobicContact CD1-CG 3.71Å; I16-W25 HydrophobicContact CG1-CG 4.22Å; I16-I104 HydrophobicContact CB-CB 4.11Å; I16-I104 HydrophobicContact CB-CD1 4.38Å; I16-I104 HydrophobicContact CD1-CD1 4.43Å; I16-I104 HydrophobicContact CD1-CG2 4.45Å; I16-I104 HydrophobicContact CG2-CD1 4.25Å; I16-I104 PolarHBondContact N-O 3.4Å; I16-I104 PolarHBondContact O-N 3.46Å; I16-V106 HydrophobicContact CD1-CG2 4.18Å; I16-I166 HydrophobicContact CD1-CD1 3.71Å
17	S	92.1	Very high	81.9	Confident	51 Å²	51	69.6 Å²	69.6	36%	0.357	36%	0.362	S	S	.	.			trans	-99.2	-25.1	-170.2	-38.1	0	0	0	0	112.2	E21 Q102	S17-E21 WeakPolarHBondContact CB-OE2 3.48Å; S17-E21 PolarHBondContact N-OE2 2.59Å; S17-E21 PolarHBondContact OG-OE2 2.81Å; S17-Q102 PolarHBondContact OG-OE1 2.79Å
18	T	90.1	Very high	84.4	Confident	55 Å²	55	65.9 Å²	65.9	34%	0.337	35%	0.345	S	S	.	.	S	Bend	trans	-132	163.4	-175.6	70.4	0	0	0	0	112.4	I16 E20 E21 L22	I16-T18 WeakPolarHBondContact CG2-O 3.42Å; T18-E20 VanDerWaalsContact C-N 3.27Å; T18-E20 PolarHBondContact O-N 2.94Å; T18-E21 PolarHBondContact O-N 3.48Å; T18-E21 WeakPolarHBondContact OG1-CG 3.48Å; T18-E21 PolarHBondContact OG1-N 3.14Å; T18-E21 VanDerWaalsContact OG1-N 3.1Å; T18-L22 PolarHBondContact O-N 3.29Å
19	I	88.9	Confident	85.7	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-64.4	-34.6	172.8	-67.4	-69.2	0	0	0	111.5	L22 I23 F103 I139 L154	I19-L22 HydrophobicContact CD1-CD2 4.36Å; I19-L22 WeakPolarHBondContact O-CB 3.43Å; I19-L22 PolarHBondContact O-N 2.93Å; I19-I23 HydrophobicContact CG2-CD1 3.88Å; I19-I23 HydrophobicContact CG2-CG1 4.41Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.39Å; I19-I23 PolarHBondContact O-N 3.13Å; I19-F103 HydrophobicContact CD1-CE1 3.79Å; I19-F103 HydrophobicContact CD1-CZ 4.14Å; I19-F103 HydrophobicContact CG1-CE1 4.44Å; I19-I139 HydrophobicContact CD1-CD1 3.79Å; I19-I139 HydrophobicContact CD1-CG1 4.14Å; I19-L154 HydrophobicContact CD1-CD2 3.81Å; I19-L154 HydrophobicContact CG2-CD2 4.3Å
20	E	88.9	Confident	85.9	Confident	118 Å²	118	61.1 Å²	61.1	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-64	-44.6	177.2	-174.2	65.6	-175.1	0	0	111.5	T18 L22 I23 H24	T18-E20 VanDerWaalsContact C-N 3.27Å; T18-E20 PolarHBondContact O-N 2.94Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.38Å; E20-I23 PolarHBondContact O-N 3.38Å; E20-H24 VanDerWaalsContact CD-CE1 3.45Å; E20-H24 PolarHBondContact O-N 3.31Å; E20-H24 VanDerWaalsContact O-N 3.08Å; E20-H24 PolarHBondContact O-ND1 3.08Å; E20-H24 IonicContact OE1-CE1 3.9Å; E20-H24 PolarHBondContact OE1-CE1 3.03Å; E20-H24 IonicContact OE1-ND1 3.54Å; E20-H24 PolarHBondContact OE1-ND1 3.21Å; E20-H24 IonicContact OE1-NE2 3.07Å; E20-H24 IonicContact OE2-CE1 3.25Å
21	E	92.6	Very high	85.1	Confident	86 Å²	86	63.7 Å²	63.7	40%	0.402	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-38.8	173.2	-73.8	175.4	-173.7	0	0	111.2	I16 S17 T18 I23 H24 W25	I16-E21 HydrophobicContact CG2-CB 3.76Å; S17-E21 WeakPolarHBondContact CB-OE2 3.48Å; S17-E21 PolarHBondContact N-OE2 2.59Å; S17-E21 PolarHBondContact OG-OE2 2.81Å; T18-E21 PolarHBondContact O-N 3.48Å; T18-E21 WeakPolarHBondContact OG1-CG 3.48Å; T18-E21 PolarHBondContact OG1-N 3.14Å; T18-E21 VanDerWaalsContact OG1-N 3.1Å; E21-I23 PolarHBondContact O-N 2.91Å; E21-H24 CarbonylContact O-C 3.58Å; E21-H24 PolarHBondContact O-N 3.37Å; E21-W25 WeakPolarHBondContact O-CA 3.48Å; E21-W25 VanDerWaalsContact O-CB 3.25Å; E21-W25 WeakPolarHBondContact O-CB 3.37Å; E21-W25 PolarHBondContact O-N 3.17Å
22	L	92.9	Very high	84.4	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-62.5	-43	176.9	179	62.2	0	0	0	112.3	I16 T18 I19 E20 I104 L154 F159 R162 I166	I16-L22 HydrophobicContact CD1-CD1 4.01Å; I16-L22 HydrophobicContact CG2-CB 3.81Å; T18-L22 PolarHBondContact O-N 3.29Å; I19-L22 HydrophobicContact CD1-CD2 4.36Å; I19-L22 WeakPolarHBondContact O-CB 3.43Å; I19-L22 PolarHBondContact O-N 2.93Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.38Å; L22-I104 HydrophobicContact CD1-CD1 3.65Å; L22-I104 HydrophobicContact CD2-CD1 3.99Å; L22-I104 HydrophobicContact CG-CD1 4.25Å; L22-L154 HydrophobicContact CD2-CD2 3.96Å; L22-F159 HydrophobicContact CD2-CD2 3.68Å; L22-F159 HydrophobicContact CD2-CE2 3.76Å; L22-R162 HydrophobicContact CD1-CB 4.48Å; L22-R162 HydrophobicContact CD1-CG 3.45Å; L22-R162 VanDerWaalsContact CD1-CG 3.45Å; L22-R162 HydrophobicContact CD2-CG 4.32Å; L22-R162 HydrophobicContact CG-CG 3.81Å; L22-R162 PolarHBondContact O-NE 3.12Å; L22-R162 PolarHBondContact O-NH2 3.2Å; L22-I166 HydrophobicContact CD1-CD1 3.72Å
23	I	88.9	Confident	83.9	Confident	74 Å²	74	67.2 Å²	67.2	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-63.9	-43.5	179.2	-69.7	165.6	0	0	0	110.2	I19 E20 E21 R162	I19-I23 HydrophobicContact CG2-CD1 3.88Å; I19-I23 HydrophobicContact CG2-CG1 4.41Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.39Å; I19-I23 PolarHBondContact O-N 3.13Å; E20-I23 PolarHBondContact O-N 3.38Å; E21-I23 PolarHBondContact O-N 2.91Å; I23-R162 PolarHBondContact O-NH2 3.29Å
24	H	89.9	Confident	83.5	Confident	125 Å²	125	68 Å²	68	58%	0.579	38%	0.38	S	S	*	.	H	α-helix	trans	-92.1	1.3	-177.2	-62.6	92	0	0	0	114.4	E20 E21 D26	E20-H24 VanDerWaalsContact CD-CE1 3.45Å; E20-H24 PolarHBondContact O-N 3.31Å; E20-H24 VanDerWaalsContact O-N 3.08Å; E20-H24 PolarHBondContact O-ND1 3.08Å; E20-H24 IonicContact OE1-CE1 3.9Å; E20-H24 PolarHBondContact OE1-CE1 3.03Å; E20-H24 IonicContact OE1-ND1 3.54Å; E20-H24 PolarHBondContact OE1-ND1 3.21Å; E20-H24 IonicContact OE1-NE2 3.07Å; E20-H24 IonicContact OE2-CE1 3.25Å; E21-H24 CarbonylContact O-C 3.58Å; E21-H24 PolarHBondContact O-N 3.37Å; H24-D26 PolarHBondContact O-N 3.16Å
25	W	90.5	Very high	83	Confident	35 Å²	35	64.1 Å²	64.1	13%	0.133	37%	0.365	C	S	.	.			trans	-59.9	134.2	-178.6	-175.9	89.7	0	0	0	110.8	I16 E21 F27 R162 I166 V170	I16-W25 HydrophobicContact CD1-CB 4.11Å; I16-W25 VanDerWaalsContact CD1-CD1 3.43Å; I16-W25 HydrophobicContact CD1-CD2 4.36Å; I16-W25 HydrophobicContact CD1-CG 3.71Å; I16-W25 HydrophobicContact CG1-CG 4.22Å; E21-W25 WeakPolarHBondContact O-CA 3.48Å; E21-W25 VanDerWaalsContact O-CB 3.25Å; E21-W25 WeakPolarHBondContact O-CB 3.37Å; E21-W25 PolarHBondContact O-N 3.17Å; W25-F27 HydrophobicContact CH2-CB 3.57Å; W25-F27 HydrophobicContact CH2-CD2 4.13Å; W25-F27 HydrophobicContact CH2-CG 4.17Å; W25-F27 HydrophobicContact CZ2-CB 4.13Å; W25-F27 HydrophobicContact CZ2-CD2 4.07Å; W25-F27 HydrophobicContact CZ3-CB 3.99Å; W25-R162 PolarHBondContact O-NH2 2.93Å; W25-I166 HydrophobicContact CD2-CD1 4.39Å; W25-I166 HydrophobicContact CD2-CG1 4.02Å; W25-I166 HydrophobicContact CE3-CD1 4.38Å; W25-I166 HydrophobicContact CE3-CG1 3.61Å; W25-I166 HydrophobicContact CH2-CB 4.2Å; W25-I166 HydrophobicContact CH2-CG1 4.01Å; W25-I166 HydrophobicContact CH2-CG2 3.88Å; W25-I166 HydrophobicContact CZ2-CG1 4.4Å; W25-I166 HydrophobicContact CZ2-CG2 3.98Å; W25-I166 HydrophobicContact CZ3-CB 4.2Å; W25-I166 HydrophobicContact CZ3-CG1 3.62Å; W25-I166 HydrophobicContact CZ3-CG2 4.36Å; W25-V170 HydrophobicContact CH2-CG2 3.61Å; W25-V170 HydrophobicContact CZ2-CG2 3.82Å
26	D	86	Confident	82.6	Confident	132 Å²	132	67.9 Å²	67.9	71%	0.706	39%	0.389	S	S	*	.			trans	-140	158	176.9	-164.5	18.9	0	0	0	109.9	H24	H24-D26 PolarHBondContact O-N 3.16Å
27	F	85	Confident	82.4	Confident	8 Å²	8	68.6 Å²	68.6	4%	0.035	39%	0.393	C	S	.	.			trans	-129.6	137.3	177.8	-166.8	-100.2	0	0	0	108.6	Y11 W25 A29 L33 V109 V169 V170	Y11-F27 HydrophobicContact CD1-CE2 4.01Å; Y11-F27 HydrophobicContact CE1-CD2 4.03Å; Y11-F27 AromaticContact CE1-CE2 3.47Å; Y11-F27 HydrophobicContact CE1-CE2 3.47Å; Y11-F27 VanDerWaalsContact CE1-CE2 3.47Å; Y11-F27 HydrophobicContact CE1-CZ 4.41Å; Y11-F27 AromaticContact CE2-CD2 3.88Å; Y11-F27 HydrophobicContact CE2-CD2 3.88Å; Y11-F27 HydrophobicContact CE2-CE2 4.11Å; Y11-F27 AromaticContact CZ-CD2 3.55Å; Y11-F27 AromaticContact CZ-CE2 3.51Å; W25-F27 HydrophobicContact CH2-CB 3.57Å; W25-F27 HydrophobicContact CH2-CD2 4.13Å; W25-F27 HydrophobicContact CH2-CG 4.17Å; W25-F27 HydrophobicContact CZ2-CB 4.13Å; W25-F27 HydrophobicContact CZ2-CD2 4.07Å; W25-F27 HydrophobicContact CZ3-CB 3.99Å; F27-A29 PolarHBondContact O-N 3.07Å; F27-L33 HydrophobicContact CE1-CB 4.38Å; F27-L33 HydrophobicContact CE1-CD1 3.82Å; F27-L33 HydrophobicContact CZ-CB 4.24Å; F27-L33 HydrophobicContact CZ-CD1 3.72Å; F27-V109 HydrophobicContact CE2-CG2 4.21Å; F27-V109 HydrophobicContact CZ-CG2 3.99Å; F27-V169 HydrophobicContact CB-CG1 3.63Å; F27-V169 HydrophobicContact CD1-CG1 3.69Å; F27-V169 HydrophobicContact CG-CG1 3.93Å; F27-V170 HydrophobicContact CD2-CG2 3.86Å; F27-V170 HydrophobicContact CE2-CG1 4.32Å; F27-V170 HydrophobicContact CE2-CG2 3.91Å; F27-V170 HydrophobicContact CG-CG2 4.36Å; F27-V170 HydrophobicContact CZ-CG1 4.49Å; F27-V170 HydrophobicContact CZ-CG2 4.45Å
28	P	81.2	Confident	81.9	Confident	50 Å²	50	67.9 Å²	67.9	33%	0.325	39%	0.388	S	S	.	.			trans	-51.7	131.1	-178	-26.7	34.5	0	0	0	111.6	Y11 T30 L33	Y11-P28 HydrophobicContact CD2-CG 3.49Å; Y11-P28 VanDerWaalsContact CD2-CG 3.49Å; Y11-P28 HydrophobicContact CE2-CG 4.25Å; Y11-P28 HydrophobicContact CG-CG 4.07Å; P28-T30 PolarHBondContact O-N 3.12Å; P28-L33 HydrophobicContact CB-CD1 4.44Å; P28-L33 HydrophobicContact CG-CD1 4.43Å
29	A	61.3	Low	81.2	Confident	109 Å²	109	74 Å²	74	90%	0.901	41%	0.406	S	S	*	.	S	Bend	trans	-61	-5.8	-174.8	0	0	0	0	0	114.6	F27 S31	F27-A29 PolarHBondContact O-N 3.07Å; A29-S31 PolarHBondContact O-N 2.7Å
30	T	55.5	Low	80.5	Confident	90 Å²	90	75 Å²	75	55%	0.552	41%	0.41	S	S	*	.			trans	-75.2	88.4	172.6	55.9	0	0	0	0	109.8	P28 N32	P28-T30 PolarHBondContact O-N 3.12Å; T30-N32 PolarHBondContact O-N 3.07Å
31	S	54.6	Low	79.4	Confident	94 Å²	94	71.1 Å²	71.1	66%	0.657	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	4.3	-177.3	59.9	0	0	0	0	116.8	A29	A29-S31 PolarHBondContact O-N 2.7Å
32	N	66.9	Low	78.9	Confident	143 Å²	143	67.4 Å²	67.4	77%	0.765	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	20.6	-172.4	-62.1	-4.5	0	0	0	112.6	T30 T34	T30-N32 PolarHBondContact O-N 3.07Å; N32-T34 VanDerWaalsContact C-N 3.35Å
33	L	79.7	Confident	78.7	Confident	51 Å²	51	67.5 Å²	67.5	27%	0.267	39%	0.385	S	S	.	.	S	Bend	trans	-72.1	-32.8	176	-70.3	-179.7	0	0	0	111.6	Y11 F27 P28 V109 N113	Y11-L33 HydrophobicContact CG-CD1 4.44Å; F27-L33 HydrophobicContact CE1-CB 4.38Å; F27-L33 HydrophobicContact CE1-CD1 3.82Å; F27-L33 HydrophobicContact CZ-CB 4.24Å; F27-L33 HydrophobicContact CZ-CD1 3.72Å; P28-L33 HydrophobicContact CB-CD1 4.44Å; P28-L33 HydrophobicContact CG-CD1 4.43Å; L33-V109 HydrophobicContact CB-CG1 4.11Å; L33-V109 HydrophobicContact CB-CG2 4.46Å; L33-V109 WeakPolarHBondContact O-CG1 3.39Å; L33-N113 PolarHBondContact O-ND2 3.46Å
34	T	83.7	Confident	78.6	Confident	24 Å²	24	64 Å²	64	15%	0.147	37%	0.367	C	S	.	.	S	Bend	trans	-106.2	146	179	49.1	0	0	0	0	113.1	N32 V109 I112 N113 V170	N32-T34 VanDerWaalsContact C-N 3.35Å; T34-V109 HydrophobicContact CG2-CB 4.35Å; T34-V109 HydrophobicContact CG2-CG1 3.97Å; T34-V109 HydrophobicContact CG2-CG2 4.19Å; T34-I112 HydrophobicContact CG2-CB 4.11Å; T34-I112 HydrophobicContact CG2-CD1 4.08Å; T34-I112 HydrophobicContact CG2-CG2 3.83Å; T34-N113 WeakPolarHBondContact CA-OD1 3.42Å; T34-V170 VanDerWaalsContact CB-O 3.3Å; T34-V170 WeakPolarHBondContact CB-O 3.44Å; T34-V170 WeakPolarHBondContact CG2-O 3.4Å; T34-V170 PolarHBondContact OG1-O 2.88Å
35	L	84.7	Confident	78.3	Confident	50 Å²	50	58.7 Å²	58.7	26%	0.262	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-85	148.2	174.7	-63.3	173.3	0	0	0	110	N113 H116 R117	L35-N113 HydrophobicContact CD1-CB 4.04Å; L35-N113 HydrophobicContact CG-CB 4.33Å; L35-N113 PolarHBondContact N-OD1 2.87Å; L35-H116 PolarHBondContact O-ND1 3.08Å; L35-R117 HydrophobicContact CD1-CG 3.61Å
36	P	87.1	Confident	77.8	Confident	110 Å²	110	58.8 Å²	58.8	71%	0.714	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-66.8	148.2	169.8	29	-34.1	0	0	0	111	S38	P36-S38 PolarHBondContact O-N 3.3Å
37	L	89.4	Confident	77.4	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.084	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-61.9	122.3	174.6	177.9	61.5	0	0	0	110.8	Y39 H116 V120 E173	L37-Y39 HydrophobicContact CB-CE2 4.16Å; L37-Y39 HydrophobicContact CD2-CD1 4.24Å; L37-Y39 HydrophobicContact CD2-CE1 3.82Å; L37-Y39 HydrophobicContact CD2-CE2 4.39Å; L37-Y39 HydrophobicContact CG-CE2 4.4Å; L37-Y39 WeakPolarHBondContact O-CD2 3.34Å; L37-Y39 PolarHBondContact O-N 3.41Å; L37-H116 HydrophobicContact CD1-CB 4.48Å; L37-H116 PolarHBondContact N-ND1 3.39Å; L37-V120 WeakPolarHBondContact CD1-O 3.48Å; L37-E173 HydrophobicContact CD2-CG 3.94Å
38	S	82.7	Confident	76.9	Confident	36 Å²	36	58 Å²	58	25%	0.252	34%	0.337	S	S	.	.			trans	-72.5	91.4	170.8	-62.7	0	0	0	0	109.6	P36 F40 H116 G119	P36-S38 PolarHBondContact O-N 3.3Å; S38-F40 PolarHBondContact O-N 3.17Å; S38-H116 VanDerWaalsContact CB-O 3.24Å; S38-H116 WeakPolarHBondContact CB-O 3.38Å; S38-H116 PolarHBondContact N-O 3.3Å; S38-H116 PolarHBondContact OG-O 2.94Å; S38-G119 WeakPolarHBondContact O-CA 3.09Å
39	Y	74.2	Confident	76.8	Confident	184 Å²	184	58.7 Å²	58.7	72%	0.722	34%	0.335	S	S	*	.			trans	-63.2	132.5	-178.4	-74.9	-86.4	0	0	0	112	L37	L37-Y39 HydrophobicContact CB-CE2 4.16Å; L37-Y39 HydrophobicContact CD2-CD1 4.24Å; L37-Y39 HydrophobicContact CD2-CE1 3.82Å; L37-Y39 HydrophobicContact CD2-CE2 4.39Å; L37-Y39 HydrophobicContact CG-CE2 4.4Å; L37-Y39 WeakPolarHBondContact O-CD2 3.34Å; L37-Y39 PolarHBondContact O-N 3.41Å
40	F	73.9	Confident	77.7	Confident	40 Å²	40	57 Å²	57	18%	0.175	31%	0.31	C	S	.	.			trans	-130	126.2	164.2	75.1	-69.6	0	0	0	108.1	S38 D42 L43 G119 K369 P373	S38-F40 PolarHBondContact O-N 3.17Å; F40-D42 WeakPolarHBondContact CD2-O 3.37Å; F40-L43 HydrophobicContact CE2-CD2 3.95Å; F40-G119 WeakPolarHBondContact CE1-O 3.37Å; F40-K369 HydrophobicContact CD2-CG 4.11Å; F40-K369 HydrophobicContact CE1-CD 3.76Å; F40-K369 HydrophobicContact CE1-CG 4.23Å; F40-K369 VanDerWaalsContact CE1-NZ 3.31Å; F40-K369 HydrophobicContact CE2-CB 4.02Å; F40-K369 HydrophobicContact CE2-CD 3.76Å; F40-K369 HydrophobicContact CE2-CG 3.51Å; F40-K369 HydrophobicContact CZ-CB 4.35Å; F40-K369 HydrophobicContact CZ-CD 3.27Å; F40-K369 HydrophobicContact CZ-CG 3.6Å; F40-P373 HydrophobicContact CB-CB 4.11Å
41	G	66.2	Low	79	Confident	36 Å²	36	58.1 Å²	58.1	37%	0.371	30%	0.304	S	S	.	.			trans	-91.5	-8.1	178.7	0	0	0	0	0	113.5	S53	G41-S53 WeakPolarHBondContact O-CB 3.47Å; G41-S53 PolarHBondContact O-N 3.09Å; G41-S53 PolarHBondContact O-OG 2.84Å
42	D	83	Confident	80.5	Confident	8 Å²	8	59.9 Å²	59.9	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132	-154.2	-70.5	-43	0	0	0	112.1	F40 I50 K52 H498	F40-D42 WeakPolarHBondContact CD2-O 3.37Å; D42-I50 HydrophobicContact CB-CG2 3.68Å; D42-I50 VanDerWaalsContact CG-CG2 3.43Å; D42-I50 WeakPolarHBondContact OD1-CG2 3.32Å; D42-K52 WeakPolarHBondContact OD1-CD 3.46Å; D42-K52 WeakPolarHBondContact OD1-CE 3.36Å; D42-K52 IonicContact OD1-NZ 3.73Å; D42-K52 PolarHBondContact OD1-NZ 2.88Å; D42-K52 IonicContact OD2-NZ 3.92Å; D42-K52 PolarHBondContact OD2-NZ 3.17Å; D42-H498 IonicContact OD2-CE1 2.61Å; D42-H498 PolarHBondContact OD2-CE1 2.99Å; D42-H498 IonicContact OD2-ND1 2.96Å; D42-H498 PolarHBondContact OD2-ND1 2.88Å; D42-H498 IonicContact OD2-NE2 3.34Å
43	L	88.2	Confident	81.3	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	151.5	166.1	-57.9	-178.8	0	0	0	109.5	F40 I50 R51 L56 R356 L367 H368 K369	F40-L43 HydrophobicContact CE2-CD2 3.95Å; L43-I50 WeakPolarHBondContact O-CA 3.48Å; L43-R51 PolarHBondContact N-O 3.49Å; L43-R51 PolarHBondContact O-N 3.4Å; L43-L56 HydrophobicContact CD1-CD1 3.69Å; L43-L56 HydrophobicContact CG-CD1 4.43Å; L43-R356 HydrophobicContact CD1-CB 3.82Å; L43-R356 HydrophobicContact CD1-CG 4.01Å; L43-L367 HydrophobicContact CB-CB 4.01Å; L43-L367 HydrophobicContact CB-CD1 4.38Å; L43-L367 HydrophobicContact CD1-CB 3.98Å; L43-L367 HydrophobicContact CD1-CD1 4.25Å; L43-H368 WeakPolarHBondContact CA-O 3.22Å; L43-K369 HydrophobicContact CD2-CB 3.89Å
44	L	86.7	Confident	81.5	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.8	-179	-62.8	165.7	0	0	0	109.5	F49 I50 H368 P370 L495 F496 F542	L44-F49 WeakPolarHBondContact CA-O 3.34Å; L44-I50 HydrophobicContact CD2-CB 4.46Å; L44-I50 HydrophobicContact CD2-CG1 3.54Å; L44-H368 PolarHBondContact N-O 2.79Å; L44-H368 WeakPolarHBondContact O-CB 3.01Å; L44-H368 PolarHBondContact O-CD2 3.4Å; L44-H368 PolarHBondContact O-N 2.8Å; L44-P370 HydrophobicContact CD1-CG 3.98Å; L44-L495 HydrophobicContact CB-CD2 4.26Å; L44-L495 HydrophobicContact CD1-CD1 4.11Å; L44-L495 HydrophobicContact CD1-CD2 4.16Å; L44-L495 HydrophobicContact CD1-CG 3.96Å; L44-F496 WeakPolarHBondContact CD1-O 3.4Å; L44-F542 HydrophobicContact CD2-CZ 4.42Å
45	N	84.6	Confident	81.5	Confident	13 Å²	13	59.6 Å²	59.6	7%	0.07	30%	0.295	C	S	.	.			trans	-86.5	-179.8	165.1	74.9	-0.2	0	0	0	111.6	F47 G48 F49 T365 M366 L367	N45-F47 PolarHBondContact O-N 2.87Å; N45-F47 VanDerWaalsContact O-N 3.15Å; N45-F47 VanDerWaalsContact OD1-C 3.29Å; N45-F47 WeakPolarHBondContact OD1-CA 3.48Å; N45-F47 PolarHBondContact OD1-N 3.45Å; N45-G48 PolarHBondContact O-N 3.4Å; N45-G48 VanDerWaalsContact O-N 3.09Å; N45-G48 PolarHBondContact OD1-N 3.4Å; N45-F49 PolarHBondContact N-O 3.34Å; N45-F49 VanDerWaalsContact N-O 3.11Å; N45-F49 WeakPolarHBondContact ND2-CD2 3.41Å; N45-F49 WeakPolarHBondContact OD1-CB 3.34Å; N45-F49 PolarHBondContact OD1-N 3.23Å; N45-T365 HydrophobicContact CB-CG2 3.33Å; N45-T365 WeakPolarHBondContact ND2-CG2 3.4Å; N45-M366 WeakPolarHBondContact CA-O 3.46Å; N45-M366 WeakPolarHBondContact CB-O 3.25Å; N45-L367 HydrophobicContact CB-CD2 3.83Å
46	D	80.2	Confident	81.8	Confident	36 Å²	36	57.7 Å²	57.7	19%	0.193	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.9	178.4	-86.3	-42.2	0	0	0	114.3	H368 R434 R612	D46-H368 IonicContact OD1-NE2 2.89Å; D46-H368 IonicContact OD2-NE2 3.77Å; D46-R434 IonicContact OD1-CZ 3.78Å; D46-R434 IonicContact OD1-NH1 3.33Å; D46-R434 PolarHBondContact OD1-NH1 2.89Å; D46-R434 IonicContact OD1-NH2 2.72Å; D46-R434 PolarHBondContact OD1-NH2 2.86Å; D46-R434 IonicContact OD2-NH1 2.89Å; D46-R434 PolarHBondContact OD2-NH1 2.95Å; D46-R612 VanDerWaalsContact CA-NH2 3.32Å; D46-R612 PolarHBondContact O-NH2 2.75Å; D46-R612 IonicContact OD1-CZ 2.75Å; D46-R612 IonicContact OD1-NH1 2.87Å; D46-R612 PolarHBondContact OD1-NH1 3.09Å; D46-R612 VanDerWaalsContact OD1-NH1 3.1Å; D46-R612 IonicContact OD1-NH2 3.94Å; D46-R612 PolarHBondContact OD1-NH2 2.79Å
47	F	77.3	Confident	82.2	Confident	124 Å²	124	52.6 Å²	52.6	54%	0.544	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	5.4	179.6	-49.4	-80.2	0	0	0	113.8	N45 F49 F554	N45-F47 PolarHBondContact O-N 2.87Å; N45-F47 VanDerWaalsContact O-N 3.15Å; N45-F47 VanDerWaalsContact OD1-C 3.29Å; N45-F47 WeakPolarHBondContact OD1-CA 3.48Å; N45-F47 PolarHBondContact OD1-N 3.45Å; F47-F49 VanDerWaalsContact C-N 3.34Å; F47-F49 HydrophobicContact CB-CD2 3.75Å; F47-F49 HydrophobicContact CB-CE2 3.78Å; F47-F554 HydrophobicContact CB-CE1 4.36Å; F47-F554 HydrophobicContact CD1-CE1 4.16Å
48	G	74.8	Confident	82.5	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.01	26%	0.264	C	S	.	.			trans	82.4	6.1	178.2	0	0	0	0	0	115.2	N45 I50 F542 H611	N45-G48 PolarHBondContact O-N 3.4Å; N45-G48 VanDerWaalsContact O-N 3.09Å; N45-G48 PolarHBondContact OD1-N 3.4Å; G48-I50 PolarHBondContact O-N 3.3Å; G48-F542 VanDerWaalsContact O-CE1 3.29Å; G48-F542 WeakPolarHBondContact O-CE1 3.11Å; G48-H611 WeakPolarHBondContact CA-CE1 3.39Å; G48-H611 WeakPolarHBondContact CA-NE2 3.26Å; G48-H611 PolarHBondContact N-NE2 2.92Å
49	F	78.1	Confident	83.2	Confident	63 Å²	63	53.9 Å²	53.9	28%	0.276	25%	0.252	S	S	.	.			trans	-66.9	128.4	171.7	-67.5	-92.9	0	0	0	110.6	L44 N45 F47 E551	L44-F49 WeakPolarHBondContact CA-O 3.34Å; N45-F49 PolarHBondContact N-O 3.34Å; N45-F49 VanDerWaalsContact N-O 3.11Å; N45-F49 WeakPolarHBondContact ND2-CD2 3.41Å; N45-F49 WeakPolarHBondContact OD1-CB 3.34Å; N45-F49 PolarHBondContact OD1-N 3.23Å; F47-F49 VanDerWaalsContact C-N 3.34Å; F47-F49 HydrophobicContact CB-CD2 3.75Å; F47-F49 HydrophobicContact CB-CE2 3.78Å; F49-E551 HydrophobicContact CZ-CB 4.19Å; F49-E551 HydrophobicContact CZ-CG 4.26Å
50	I	80.3	Confident	84.4	Confident	75 Å²	75	45.1 Å²	45.1	39%	0.385	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.5	178.5	-64.2	161.1	0	0	0	109.5	D42 L43 L44 G48 H498	D42-I50 HydrophobicContact CB-CG2 3.68Å; D42-I50 VanDerWaalsContact CG-CG2 3.43Å; D42-I50 WeakPolarHBondContact OD1-CG2 3.32Å; L43-I50 WeakPolarHBondContact O-CA 3.48Å; L44-I50 HydrophobicContact CD2-CB 4.46Å; L44-I50 HydrophobicContact CD2-CG1 3.54Å; G48-I50 PolarHBondContact O-N 3.3Å; I50-H498 HydrophobicContact CD1-CB 3.41Å; I50-H498 VanDerWaalsContact CD1-CB 3.41Å; I50-H498 HydrophobicContact CG1-CB 4.11Å
51	R	83.8	Confident	85.6	Confident	112 Å²	112	43.3 Å²	43.3	42%	0.423	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.9	168.9	-73.4	-82.4	-169.2	-167.6	-0.8	108.5	L43 S53 L56 L367	L43-R51 PolarHBondContact N-O 3.49Å; L43-R51 PolarHBondContact O-N 3.4Å; R51-S53 PolarHBondContact O-N 3.37Å; R51-L56 HydrophobicContact CB-CD1 4.27Å; R51-L367 HydrophobicContact CB-CD1 3.83Å; R51-L367 HydrophobicContact CB-CD2 4.26Å; R51-L367 HydrophobicContact CG-CD1 3.87Å; R51-L367 HydrophobicContact CG-CD2 3.92Å
52	K	84.8	Confident	87.1	Confident	132 Å²	132	41.6 Å²	41.6	57%	0.574	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60	131.9	170.4	-66.2	-77	160.4	-153.5	0	108.4	D42 F54 L56	D42-K52 WeakPolarHBondContact OD1-CD 3.46Å; D42-K52 WeakPolarHBondContact OD1-CE 3.36Å; D42-K52 IonicContact OD1-NZ 3.73Å; D42-K52 PolarHBondContact OD1-NZ 2.88Å; D42-K52 IonicContact OD2-NZ 3.92Å; D42-K52 PolarHBondContact OD2-NZ 3.17Å; K52-F54 PolarHBondContact O-N 2.71Å; K52-F54 VanDerWaalsContact O-N 3.12Å; K52-L56 WeakPolarHBondContact O-CD1 3.24Å
53	S	83.3	Confident	87.8	Confident	36 Å²	36	41.2 Å²	41.2	25%	0.252	19%	0.19	S	C	.	.	S	Bend	trans	-65.8	-11.6	-178.3	58.6	0	0	0	0	114.6	G41 R51 G55 L56	G41-S53 WeakPolarHBondContact O-CB 3.47Å; G41-S53 PolarHBondContact O-N 3.09Å; G41-S53 PolarHBondContact O-OG 2.84Å; R51-S53 PolarHBondContact O-N 3.37Å; S53-G55 PolarHBondContact O-N 2.85Å; S53-L56 WeakPolarHBondContact O-CB 3.5Å; S53-L56 PolarHBondContact O-N 3.43Å; S53-L56 VanDerWaalsContact O-N 3.13Å
54	F	84	Confident	88.1	Confident	165 Å²	165	42 Å²	42	72%	0.724	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	122.6	-177.7	-175.4	-96	0	0	0	111.8	K52 L56	K52-F54 PolarHBondContact O-N 2.71Å; K52-F54 VanDerWaalsContact O-N 3.12Å; F54-L56 VanDerWaalsContact C-N 3.25Å; F54-L56 PolarHBondContact O-N 3.03Å
55	G	84.9	Confident	88.5	Confident	10 Å²	10	42 Å²	42	10%	0.103	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	9	-178.3	0	0	0	0	0	114.3	S53 T267	S53-G55 PolarHBondContact O-N 2.85Å; G55-T267 WeakPolarHBondContact O-CG2 3.49Å
56	L	91.4	Very high	88.8	Confident	11 Å²	11	43.9 Å²	43.9	6%	0.058	21%	0.212	C	C	.	.	S	Bend	trans	-92.1	148.8	170.4	-53.3	-171.3	0	0	0	110.7	L43 R51 K52 S53 F54 T267 S359 L367	L43-L56 HydrophobicContact CD1-CD1 3.69Å; L43-L56 HydrophobicContact CG-CD1 4.43Å; R51-L56 HydrophobicContact CB-CD1 4.27Å; K52-L56 WeakPolarHBondContact O-CD1 3.24Å; S53-L56 WeakPolarHBondContact O-CB 3.5Å; S53-L56 PolarHBondContact O-N 3.43Å; S53-L56 VanDerWaalsContact O-N 3.13Å; F54-L56 VanDerWaalsContact C-N 3.25Å; F54-L56 PolarHBondContact O-N 3.03Å; L56-T267 VanDerWaalsContact C-CG2 3.48Å; L56-T267 WeakPolarHBondContact O-CG2 3.44Å; L56-S359 WeakPolarHBondContact CD2-OG 3.19Å; L56-L367 HydrophobicContact CD1-CD1 3.84Å
57	P	94.9	Very high	89.2	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.013	22%	0.224	C	C	.	.			trans	-56	142.7	170.3	-30.3	40.5	0	0	0	112.7	T267 P306 L355	P57-T267 HydrophobicContact CG-CG2 4.39Å; P57-P306 HydrophobicContact CG-CB 3.57Å; P57-P306 HydrophobicContact CG-CG 3.68Å; P57-L355 HydrophobicContact CB-CD1 4.13Å; P57-L355 HydrophobicContact CB-CD2 4.32Å; P57-L355 HydrophobicContact CB-CG 3.79Å; P57-L355 WeakPolarHBondContact CG-O 3.21Å
58	K	95.7	Very high	90	Very high	80 Å²	80	38.9 Å²	38.9	35%	0.348	20%	0.204	S	C	.	.			trans	-116.9	160.4	177.7	-66.2	-176.4	-179.9	-171.2	0	111	D94 F270 S308 V309	K58-D94 VanDerWaalsContact CA-OD2 3.32Å; K58-D94 WeakPolarHBondContact CA-OD2 3.44Å; K58-D94 HydrophobicContact CB-CB 4.13Å; K58-D94 HydrophobicContact CD-CB 4.48Å; K58-D94 HydrophobicContact CG-CB 4.33Å; K58-F270 HydrophobicContact CB-CE1 3.86Å; K58-F270 HydrophobicContact CB-CZ 4.37Å; K58-S308 PolarHBondContact N-OG 2.64Å; K58-S308 VanDerWaalsContact O-CB 3.25Å; K58-S308 WeakPolarHBondContact O-CB 3.34Å; K58-V309 PolarHBondContact O-N 2.76Å
59	V	97.9	Very high	90.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.8	174.8	-176.7	0	0	0	0	110.4	V93 D94 I95 V309 L311 I352 L355	V59-V93 HydrophobicContact CG1-CG1 4.25Å; V59-D94 PolarHBondContact N-OD2 3.47Å; V59-D94 PolarHBondContact O-N 3.35Å; V59-I95 PolarHBondContact O-N 3.45Å; V59-V309 CarbonylContact C-O 3.59Å; V59-V309 WeakPolarHBondContact CA-O 3.3Å; V59-L311 HydrophobicContact CG1-CD1 4.26Å; V59-L311 HydrophobicContact CG1-CG 4.37Å; V59-I352 HydrophobicContact CG1-CD1 4.43Å; V59-I352 HydrophobicContact CG2-CG1 4.28Å; V59-I352 HydrophobicContact CG2-CG2 3.94Å; V59-L355 HydrophobicContact CG2-CD2 3.84Å
60	I	98.7	Very high	91.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.2	168.9	-70.7	167.1	0	0	0	109.4	C62 I95 I97 I210 F243 F270 V309 A310 L311	I60-C62 HydrophobicContact CG2-CB 4.21Å; I60-I95 CarbonylContact C-O 3.57Å; I60-I95 WeakPolarHBondContact CA-O 3.44Å; I60-I95 HydrophobicContact CG1-CB 3.88Å; I60-I95 HydrophobicContact CG1-CD1 4.06Å; I60-I95 HydrophobicContact CG1-CG2 4.17Å; I60-I97 HydrophobicContact CD1-CD1 4.31Å; I60-I97 HydrophobicContact CG2-CD1 3.58Å; I60-I97 HydrophobicContact CG2-CG1 3.93Å; I60-I210 HydrophobicContact CD1-CD1 3.5Å; I60-I210 VanDerWaalsContact CD1-CD1 3.5Å; I60-F243 HydrophobicContact CG2-CE2 4.48Å; I60-F270 HydrophobicContact CB-CD1 4.49Å; I60-F270 HydrophobicContact CD1-CB 4.09Å; I60-F270 HydrophobicContact CD1-CD1 3.26Å; I60-F270 HydrophobicContact CD1-CD2 3.9Å; I60-F270 HydrophobicContact CD1-CE1 3.49Å; I60-F270 VanDerWaalsContact CD1-CE1 3.49Å; I60-F270 HydrophobicContact CD1-CE2 4.11Å; I60-F270 HydrophobicContact CD1-CG 3.48Å; I60-F270 VanDerWaalsContact CD1-CG 3.48Å; I60-F270 HydrophobicContact CD1-CZ 3.92Å; I60-F270 HydrophobicContact CG1-CD1 3.68Å; I60-F270 HydrophobicContact CG1-CE1 3.65Å; I60-F270 HydrophobicContact CG1-CG 4.39Å; I60-F270 HydrophobicContact CG1-CZ 4.36Å; I60-V309 PolarHBondContact N-O 2.87Å; I60-A310 HydrophobicContact CB-CB 3.73Å; I60-A310 HydrophobicContact CD1-CB 4.18Å; I60-A310 HydrophobicContact CG1-CB 4.49Å; I60-A310 HydrophobicContact CG2-CB 4.02Å; I60-L311 PolarHBondContact O-N 3.44Å
61	Y	98.5	Very high	92.3	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.3	158.7	-175.8	-74.7	0	0	0	108.2	H63 F85 F87 I95 F96 I97 P314 W345	Y61-H63 HydrophobicContact CD1-CB 4.38Å; Y61-H63 HydrophobicContact CE1-CB 3.99Å; Y61-H63 AromaticContact CE1-ND1 3.94Å; Y61-F85 WeakPolarHBondContact OH-CZ 3.2Å; Y61-F87 HydrophobicContact CD2-CD2 4.31Å; Y61-F87 HydrophobicContact CD2-CE1 4.31Å; Y61-F87 HydrophobicContact CD2-CE2 4.05Å; Y61-F87 HydrophobicContact CD2-CZ 4.04Å; Y61-F87 AromaticContact CE2-CD2 3.85Å; Y61-F87 HydrophobicContact CE2-CD2 3.85Å; Y61-F87 AromaticContact CE2-CE2 3.98Å; Y61-F87 HydrophobicContact CE2-CE2 3.98Å; Y61-F87 HydrophobicContact CE2-CG 4.17Å; Y61-F87 HydrophobicContact CE2-CZ 4.4Å; Y61-I95 PolarHBondContact N-O 3.44Å; Y61-F96 AromaticContact CD1-CD2 3.31Å; Y61-F96 HydrophobicContact CD1-CD2 3.31Å; Y61-F96 AromaticContact CD1-CE2 3.32Å; Y61-F96 HydrophobicContact CD1-CE2 3.32Å; Y61-F96 HydrophobicContact CD1-CG 4.49Å; Y61-F96 HydrophobicContact CD1-CZ 4.5Å; Y61-F96 AromaticContact CE1-CD2 3.95Å; Y61-F96 HydrophobicContact CE1-CD2 3.95Å; Y61-F96 AromaticContact CE1-CE2 3.45Å; Y61-F96 HydrophobicContact CE1-CE2 3.45Å; Y61-F96 VanDerWaalsContact CE1-CE2 3.45Å; Y61-F96 HydrophobicContact CE1-CZ 4.47Å; Y61-F96 AromaticContact CG-CD2 3.93Å; Y61-F96 HydrophobicContact CG-CD2 3.93Å; Y61-F96 HydrophobicContact CG-CE2 4.28Å; Y61-F96 WeakPolarHBondContact O-CA 3.44Å; Y61-I97 PolarHBondContact O-N 2.91Å; Y61-P314 HydrophobicContact CD2-CB 4.22Å; Y61-P314 HydrophobicContact CD2-CG 3.78Å; Y61-P314 HydrophobicContact CE1-CG 4.46Å; Y61-P314 HydrophobicContact CE2-CB 3.53Å; Y61-P314 HydrophobicContact CE2-CG 3.53Å; Y61-P314 HydrophobicContact CG-CG 4.31Å; Y61-W345 HydrophobicContact CD2-CH2 4Å; Y61-W345 HydrophobicContact CD2-CZ2 4.17Å; Y61-W345 HydrophobicContact CE2-CH2 4.2Å; Y61-W345 AromaticContact CE2-CZ2 3.89Å; Y61-W345 HydrophobicContact CE2-CZ2 3.89Å
62	C	98.5	Very high	92.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114	174.5	-169.5	0	0	0	0	109.4	I60 I97 F243 L311 F312 A313 P314	I60-C62 HydrophobicContact CG2-CB 4.21Å; C62-I97 HydrophobicContact CB-CB 4.44Å; C62-F243 HydrophobicContact CB-CE2 4.1Å; C62-L311 PolarHBondContact N-O 3.2Å; C62-F312 HydrophobicContact CB-CD2 3.88Å; C62-A313 PolarHBondContact O-N 3.5Å; C62-P314 WeakPolarHBondContact O-CD 3.2Å
63	H	96.6	Very high	93.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.162	C	C	.	.			trans	-64	-51.8	-154.6	174.2	72.3	0	0	0	115.9	Y61 M65 F85 F96 I97 Y98 W111	Y61-H63 HydrophobicContact CD1-CB 4.38Å; Y61-H63 HydrophobicContact CE1-CB 3.99Å; Y61-H63 AromaticContact CE1-ND1 3.94Å; H63-M65 VanDerWaalsContact C-N 3.28Å; H63-M65 VanDerWaalsContact CE1-CB 3.42Å; H63-M65 WeakPolarHBondContact CE1-CB 3.45Å; H63-M65 WeakPolarHBondContact NE2-CB 3.3Å; H63-M65 PolarHBondContact O-N 3.24Å; H63-F85 AromaticContact CE1-CE1 3.92Å; H63-F96 HydrophobicContact CB-CE2 4.19Å; H63-F96 HydrophobicContact CB-CZ 3.95Å; H63-F96 AromaticContact ND1-CZ 3.84Å; H63-I97 VanDerWaalsContact CB-O 3.24Å; H63-I97 WeakPolarHBondContact CB-O 3.44Å; H63-I97 PolarHBondContact N-O 2.91Å; H63-Y98 HydrophobicContact CB-CD2 4.33Å; H63-Y98 AromaticContact CD2-CD2 3.58Å; H63-Y98 AromaticContact CD2-CE2 3.3Å; H63-Y98 WeakPolarHBondContact CD2-CE2 3.43Å; H63-Y98 AromaticContact CD2-CZ 3.91Å; H63-Y98 AromaticContact CE1-CE2 3.98Å; H63-Y98 AromaticContact CG-CD2 3.95Å; H63-Y98 AromaticContact NE2-CD2 3.98Å; H63-Y98 AromaticContact NE2-CE2 3.26Å; H63-Y98 VanDerWaalsContact NE2-CE2 3.26Å; H63-Y98 WeakPolarHBondContact NE2-CE2 3.4Å; H63-Y98 AromaticContact NE2-CZ 3.83Å; H63-W111 AromaticContact CE1-CZ2 3.63Å
64	D	95.3	Very high	93.5	Very high	19 Å²	19	30.1 Å²	30.1	10%	0.102	17%	0.168	C	C	.	.			trans	19.5	66.2	-177.4	-168.2	31.1	0	0	0	114.1	F99 F312 A313	D64-F99 HydrophobicContact CB-CB 4.43Å; D64-F99 HydrophobicContact CB-CD1 3.67Å; D64-F99 HydrophobicContact CB-CE1 4.38Å; D64-F99 HydrophobicContact CB-CG 4.37Å; D64-F312 HydrophobicContact CB-CE1 4.3Å; D64-F312 HydrophobicContact CB-CE2 4.02Å; D64-F312 HydrophobicContact CB-CZ 3.76Å; D64-F312 WeakPolarHBondContact OD2-CE1 3.38Å; D64-F312 WeakPolarHBondContact OD2-CZ 3.45Å; D64-A313 HydrophobicContact CB-CB 3.9Å
65	M	94.8	Very high	93.7	Very high	3 Å²	3	23 Å²	23	2%	0.015	14%	0.138	C	C	.	.			trans	-111.7	108.5	-176.5	174.2	59.5	-150.8	0	0	108.7	H63 G67 G68 L70 F85 G315 F318 E319	H63-M65 VanDerWaalsContact C-N 3.28Å; H63-M65 VanDerWaalsContact CE1-CB 3.42Å; H63-M65 WeakPolarHBondContact CE1-CB 3.45Å; H63-M65 WeakPolarHBondContact NE2-CB 3.3Å; H63-M65 PolarHBondContact O-N 3.24Å; M65-G67 PolarHBondContact O-N 3.03Å; M65-G68 PolarHBondContact O-N 2.93Å; M65-L70 HydrophobicContact CE-CD1 4.41Å; M65-L70 HydrophobicContact CG-CD1 4.19Å; M65-F85 HydrophobicContact CE-CB 4.23Å; M65-F85 HydrophobicContact CE-CD2 4.3Å; M65-F85 HydrophobicContact CE-CG 4.33Å; M65-F85 HydrophobicContact CG-CB 4.3Å; M65-F85 HydrophobicContact CG-CD1 3.88Å; M65-F85 HydrophobicContact CG-CD2 4.29Å; M65-F85 HydrophobicContact CG-CE1 4.34Å; M65-F85 HydrophobicContact CG-CG 3.87Å; M65-F85 HydrophobicContact SD-CD2 3.89Å; M65-F85 HydrophobicContact SD-CE2 4.25Å; M65-F85 HydrophobicContact SD-CG 4.05Å; M65-G315 VanDerWaalsContact SD-CA 3.59Å; M65-F318 HydrophobicContact CE-CB 4.03Å; M65-F318 HydrophobicContact CE-CD1 3.4Å; M65-F318 HydrophobicContact CE-CE1 4.08Å; M65-F318 HydrophobicContact CE-CG 3.91Å; M65-F318 HydrophobicContact SD-CB 4.35Å; M65-E319 HydrophobicContact CE-CG 3.7Å; M65-E319 HydrophobicContact SD-CG 3.97Å
66	A	92.1	Very high	93.7	Very high	52 Å²	52	24.3 Å²	24.3	43%	0.43	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	41.6	175	0	0	0	0	0	115.3	G68 L70 E319	A66-G68 VanDerWaalsContact C-N 3.34Å; A66-G68 PolarHBondContact O-N 3.42Å; A66-L70 HydrophobicContact CB-CD2 4.17Å; A66-E319 PolarHBondContact N-OE1 2.8Å
67	G	87.5	Confident	93.5	Very high	44 Å²	44	27.2 Å²	27.2	45%	0.454	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-3.8	179.2	0	0	0	0	0	116.1	M65	M65-G67 PolarHBondContact O-N 3.03Å
68	G	93.1	Very high	93.2	Very high	11 Å²	11	28.6 Å²	28.6	11%	0.113	17%	0.166	C	C	.	.	S	Bend	trans	70.5	178	-177.9	0	0	0	0	0	113.8	M65 A66 L70	M65-G68 PolarHBondContact O-N 2.93Å; A66-G68 VanDerWaalsContact C-N 3.34Å; A66-G68 PolarHBondContact O-N 3.42Å; G68-L70 PolarHBondContact O-N 3.02Å
69	Y	95.1	Very high	93.1	Very high	23 Å²	23	25.7 Å²	25.7	9%	0.09	16%	0.155	C	C	.	.			trans	47.2	42.9	-178.8	-58.7	-83.8	0	0	0	113.9	P15 R74 Y98 T105 V106 P108	P15-Y69 HydrophobicContact CB-CD2 4.39Å; P15-Y69 HydrophobicContact CB-CE2 3.69Å; P15-Y69 HydrophobicContact CG-CD2 4.23Å; P15-Y69 HydrophobicContact CG-CE2 4.02Å; Y69-R74 HydrophobicContact CD1-CB 4.45Å; Y69-R74 WeakPolarHBondContact O-CD 3.44Å; Y69-Y98 WeakPolarHBondContact CA-OH 3.22Å; Y69-Y98 HydrophobicContact CD1-CE1 4.31Å; Y69-Y98 HydrophobicContact CD2-CE1 4.13Å; Y69-Y98 HydrophobicContact CE1-CE1 4.14Å; Y69-Y98 AromaticContact CE2-CE1 3.98Å; Y69-Y98 HydrophobicContact CE2-CE1 3.98Å; Y69-Y98 HydrophobicContact CG-CE1 4.31Å; Y69-Y98 AromaticContact CZ-CE1 3.98Å; Y69-Y98 PolarHBondContact N-OH 2.93Å; Y69-T105 HydrophobicContact CE2-CG2 3.99Å; Y69-T105 WeakPolarHBondContact OH-CA 3.36Å; Y69-T105 WeakPolarHBondContact OH-CG2 3.27Å; Y69-V106 WeakPolarHBondContact CE1-O 3.34Å; Y69-V106 PolarHBondContact OH-N 2.92Å; Y69-V106 PolarHBondContact OH-O 3.13Å; Y69-P108 HydrophobicContact CD1-CG 4.1Å; Y69-P108 HydrophobicContact CE1-CG 4.1Å
70	L	94.7	Very high	92.8	Very high	42 Å²	42	30.6 Å²	30.6	22%	0.22	19%	0.188	C	C	.	.			trans	-59.3	150.6	176.3	-57	-177.2	0	0	0	109.9	M65 A66 G68 S72 D73 R74	M65-L70 HydrophobicContact CE-CD1 4.41Å; M65-L70 HydrophobicContact CG-CD1 4.19Å; A66-L70 HydrophobicContact CB-CD2 4.17Å; G68-L70 PolarHBondContact O-N 3.02Å; L70-S72 PolarHBondContact O-N 3.12Å; L70-D73 WeakPolarHBondContact CA-OD1 3.34Å; L70-D73 PolarHBondContact N-OD1 2.68Å; L70-D73 PolarHBondContact O-N 3.34Å; L70-R74 VanDerWaalsContact O-CG 3.31Å; L70-R74 WeakPolarHBondContact O-CG 3.46Å; L70-R74 PolarHBondContact O-N 3.21Å
71	S	93.2	Very high	92.6	Very high	63 Å²	63	32.7 Å²	32.7	44%	0.441	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.2	-179.8	49.9	0	0	0	0	112.6	T79 V81	S71-T79 WeakPolarHBondContact O-CG2 3.35Å; S71-V81 WeakPolarHBondContact OG-CG2 3.14Å
72	S	92.2	Very high	92.3	Very high	4 Å²	4	34 Å²	34	3%	0.028	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.8	179.2	57.7	0	0	0	0	116.2	L70 S422 M424	L70-S72 PolarHBondContact O-N 3.12Å; S72-S422 WeakPolarHBondContact CB-OG 3.01Å; S72-M424 WeakPolarHBondContact O-CG 3.26Å
73	D	92	Very high	92	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-26.5	-173.7	79.6	-12.5	0	0	0	114	L70 T75 Y98 S110 W111 M424	L70-D73 WeakPolarHBondContact CA-OD1 3.34Å; L70-D73 PolarHBondContact N-OD1 2.68Å; L70-D73 PolarHBondContact O-N 3.34Å; D73-T75 PolarHBondContact O-N 3.46Å; D73-T75 VanDerWaalsContact O-N 3.12Å; D73-Y98 PolarHBondContact OD1-OH 2.83Å; D73-Y98 PolarHBondContact OD2-OH 3.36Å; D73-S110 PolarHBondContact O-OG 3.4Å; D73-W111 PolarHBondContact OD2-NE1 3.16Å; D73-M424 HydrophobicContact CB-CE 4.41Å; D73-M424 HydrophobicContact CB-CG 4.35Å
74	R	92.6	Very high	91.9	Very high	99 Å²	99	35.2 Å²	35.2	37%	0.374	22%	0.215	S	C	.	.	S	Bend	trans	-69.6	-7.2	178.5	71.6	179.4	-175.2	-177.5	1.2	114.7	I12 S13 Y69 L70	I12-R74 HydrophobicContact CG2-CB 4.41Å; I12-R74 HydrophobicContact CG2-CG 3.86Å; S13-R74 WeakPolarHBondContact CB-O 3.26Å; S13-R74 PolarHBondContact N-O 3.43Å; S13-R74 PolarHBondContact OG-O 3.46Å; Y69-R74 HydrophobicContact CD1-CB 4.45Å; Y69-R74 WeakPolarHBondContact O-CD 3.44Å; L70-R74 VanDerWaalsContact O-CG 3.31Å; L70-R74 WeakPolarHBondContact O-CG 3.46Å; L70-R74 PolarHBondContact O-N 3.21Å
75	T	88.6	Confident	91.9	Very high	16 Å²	16	34.8 Å²	34.8	10%	0.098	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-127.9	154.7	179.5	-175	0	0	0	0	110.9	D73 N77 T79	D73-T75 PolarHBondContact O-N 3.46Å; D73-T75 VanDerWaalsContact O-N 3.12Å; T75-N77 PolarHBondContact OG1-N 3.05Å; T75-T79 HydrophobicContact CG2-CG2 3.71Å
76	V	84.7	Confident	91.7	Very high	37 Å²	37	35.3 Å²	35.3	22%	0.224	21%	0.214	C	C	.	.	S	Bend	trans	-89.1	-6.1	172.3	-62.3	0	0	0	0	112.7	V109 Q423 S425	V76-V109 HydrophobicContact CG1-CB 4.31Å; V76-V109 HydrophobicContact CG1-CG1 3.95Å; V76-Q423 WeakPolarHBondContact O-CG 3.28Å; V76-Q423 PolarHBondContact O-NE2 3.4Å; V76-S425 PolarHBondContact O-OG 3.41Å; V76-S425 VanDerWaalsContact O-OG 3.04Å
77	N	86.1	Confident	91.8	Very high	72 Å²	72	33 Å²	33	39%	0.385	19%	0.194	S	C	.	.	S	Bend	trans	-85.7	166.9	-179	-70.4	-2.8	0	0	0	112.5	S10 T75	S10-N77 VanDerWaalsContact CB-ND2 3.31Å; S10-N77 WeakPolarHBondContact CB-ND2 3.14Å; S10-N77 WeakPolarHBondContact CB-OD1 3.14Å; S10-N77 PolarHBondContact OG-ND2 2.97Å; T75-N77 PolarHBondContact OG1-N 3.05Å
78	F	89.2	Confident	92	Very high	31 Å²	31	31.3 Å²	31.3	14%	0.136	18%	0.175	C	C	.	.			trans	-60.5	144.2	168.3	178.2	-91.6	0	0	0	112	L405 P407 Q419	F78-L405 HydrophobicContact CD2-CB 4.1Å; F78-L405 HydrophobicContact CD2-CD1 4.39Å; F78-L405 HydrophobicContact CE2-CB 3.94Å; F78-L405 HydrophobicContact CE2-CD1 4.47Å; F78-P407 WeakPolarHBondContact CB-O 3.2Å; F78-P407 HydrophobicContact CD1-CB 3.79Å; F78-P407 HydrophobicContact CD1-CG 4.41Å; F78-P407 HydrophobicContact CE1-CB 3.99Å; F78-P407 HydrophobicContact CE1-CG 4.13Å; F78-P407 HydrophobicContact CG-CB 4.25Å; F78-P407 HydrophobicContact CZ-CG 4.37Å; F78-Q419 HydrophobicContact CZ-CB 4.06Å
79	T	92.8	Very high	92	Very high	19 Å²	19	32.1 Å²	32.1	12%	0.117	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-135.3	147.6	175.8	69.6	0	0	0	0	109.4	S71 T75 V81 G421 S422	S71-T79 WeakPolarHBondContact O-CG2 3.35Å; T75-T79 HydrophobicContact CG2-CG2 3.71Å; T79-V81 PolarHBondContact O-N 3.23Å; T79-V81 VanDerWaalsContact O-N 3.1Å; T79-G421 CarbonylContact O-C 3.31Å; T79-G421 WeakPolarHBondContact O-CA 3.35Å; T79-S422 PolarHBondContact N-O 2.95Å; T79-S422 PolarHBondContact O-N 3.28Å; T79-S422 PolarHBondContact OG1-O 2.87Å; T79-S422 PolarHBondContact OG1-OG 3.43Å
80	C	93	Very high	91.9	Very high	103 Å²	103	31.2 Å²	31.2	70%	0.696	17%	0.172	S	C	*	.	S	Bend	trans	-77.4	13.9	176	-52	0	0	0	0	113.3	F82	C80-F82 PolarHBondContact O-N 2.77Å
81	V	93.9	Very high	91.8	Very high	45 Å²	45	30.1 Å²	30.1	27%	0.273	17%	0.166	S	C	.	.			trans	-82.1	118.6	179.5	-178.1	0	0	0	0	108.7	S71 T79 A84 G421 S422	S71-V81 WeakPolarHBondContact OG-CG2 3.14Å; T79-V81 PolarHBondContact O-N 3.23Å; T79-V81 VanDerWaalsContact O-N 3.1Å; V81-A84 HydrophobicContact CG1-CB 4.08Å; V81-G421 CarbonylContact O-C 3.59Å; V81-S422 WeakPolarHBondContact O-CB 3.43Å; V81-S422 PolarHBondContact O-N 3.19Å; V81-S422 PolarHBondContact O-OG 3.34Å
82	F	92.4	Very high	91.9	Very high	27 Å²	27	27.1 Å²	27.1	12%	0.118	15%	0.145	C	C	.	.			trans	-154.9	130.1	174.1	179.5	-102.7	0	0	0	110	C80 P330 F334 Q402 Y420 L456	C80-F82 PolarHBondContact O-N 2.77Å; F82-P330 HydrophobicContact CD1-CB 3.83Å; F82-P330 HydrophobicContact CE1-CB 4Å; F82-P330 WeakPolarHBondContact CE1-O 3.41Å; F82-F334 HydrophobicContact CE1-CB 4.23Å; F82-F334 HydrophobicContact CE2-CB 4.1Å; F82-F334 AromaticContact CE2-CD2 3.9Å; F82-F334 HydrophobicContact CE2-CD2 3.9Å; F82-F334 AromaticContact CE2-CG 3.91Å; F82-F334 HydrophobicContact CE2-CG 3.91Å; F82-F334 HydrophobicContact CZ-CB 3.49Å; F82-F334 VanDerWaalsContact CZ-CB 3.49Å; F82-F334 HydrophobicContact CZ-CD1 4.25Å; F82-F334 HydrophobicContact CZ-CD2 4.17Å; F82-F334 AromaticContact CZ-CG 3.7Å; F82-F334 HydrophobicContact CZ-CG 3.7Å; F82-Q402 HydrophobicContact CD2-CB 4.2Å; F82-Q402 HydrophobicContact CD2-CG 4.38Å; F82-Q402 HydrophobicContact CE2-CB 4.49Å; F82-Q402 HydrophobicContact CE2-CG 4.25Å; F82-Y420 HydrophobicContact CD1-CD1 4.04Å; F82-Y420 HydrophobicContact CD1-CG 4.32Å; F82-Y420 HydrophobicContact CE1-CD1 4.05Å; F82-L456 HydrophobicContact CE1-CD1 4.14Å; F82-L456 HydrophobicContact CE1-CD2 3.5Å; F82-L456 VanDerWaalsContact CE1-CD2 3.5Å; F82-L456 HydrophobicContact CE1-CG 4.46Å; F82-L456 HydrophobicContact CE2-CD1 3.6Å; F82-L456 HydrophobicContact CE2-CD2 4.39Å; F82-L456 HydrophobicContact CZ-CD1 3.33Å; F82-L456 HydrophobicContact CZ-CD2 3.31Å; F82-L456 HydrophobicContact CZ-CG 3.9Å
83	P	92.8	Very high	92	Very high	24 Å²	24	27 Å²	27	16%	0.156	14%	0.144	C	C	.	.	S	Bend	cis	-68.2	147	-7.2	29.3	-34.9	0	0	0	112.5	A333 F334 L337	P83-A333 HydrophobicContact CG-CB 4.23Å; P83-F334 HydrophobicContact CB-CB 4.11Å; P83-F334 HydrophobicContact CB-CD2 4Å; P83-L337 HydrophobicContact CB-CD1 3.7Å; P83-L337 HydrophobicContact CG-CD1 3.45Å; P83-L337 VanDerWaalsContact CG-CD1 3.45Å
84	A	93.9	Very high	92.2	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.025	15%	0.148	C	C	.	.			trans	-113.2	150.9	174.4	0	0	0	0	0	110.7	V81 R86 Q402 S422	V81-A84 HydrophobicContact CG1-CB 4.08Å; A84-R86 VanDerWaalsContact CB-NH1 3.35Å; A84-R86 PolarHBondContact O-N 3.28Å; A84-Q402 PolarHBondContact O-NE2 3.47Å; A84-Q402 PolarHBondContact O-OE1 3.37Å; A84-S422 WeakPolarHBondContact CB-OG 3.47Å
85	F	94.3	Very high	92.5	Very high	9 Å²	9	23.3 Å²	23.3	4%	0.039	13%	0.131	C	C	.	.			trans	-63.9	131.6	176.9	-177.8	-103.4	0	0	0	110.9	Y61 H63 M65 W111 V317 F318	Y61-F85 WeakPolarHBondContact OH-CZ 3.2Å; H63-F85 AromaticContact CE1-CE1 3.92Å; M65-F85 HydrophobicContact CE-CB 4.23Å; M65-F85 HydrophobicContact CE-CD2 4.3Å; M65-F85 HydrophobicContact CE-CG 4.33Å; M65-F85 HydrophobicContact CG-CB 4.3Å; M65-F85 HydrophobicContact CG-CD1 3.88Å; M65-F85 HydrophobicContact CG-CD2 4.29Å; M65-F85 HydrophobicContact CG-CE1 4.34Å; M65-F85 HydrophobicContact CG-CG 3.87Å; M65-F85 HydrophobicContact SD-CD2 3.89Å; M65-F85 HydrophobicContact SD-CE2 4.25Å; M65-F85 HydrophobicContact SD-CG 4.05Å; F85-W111 AromaticContact CD1-CH2 3.99Å; F85-W111 HydrophobicContact CD1-CH2 3.99Å; F85-W111 AromaticContact CD1-CZ2 3.93Å; F85-W111 HydrophobicContact CD1-CZ2 3.93Å; F85-W111 AromaticContact CE1-CH2 3.81Å; F85-W111 HydrophobicContact CE1-CH2 3.81Å; F85-W111 HydrophobicContact CE1-CZ2 4.11Å; F85-V317 HydrophobicContact CE2-CG2 4.43Å; F85-F318 HydrophobicContact CB-CD2 4.14Å; F85-F318 HydrophobicContact CB-CE2 4.29Å; F85-F318 HydrophobicContact CB-CG 4.39Å; F85-F318 HydrophobicContact CD2-CB 3.63Å; F85-F318 AromaticContact CD2-CD2 3.91Å; F85-F318 HydrophobicContact CD2-CD2 3.91Å; F85-F318 AromaticContact CD2-CG 3.88Å; F85-F318 HydrophobicContact CD2-CG 3.88Å; F85-F318 HydrophobicContact CE2-CB 4.14Å
86	R	92.4	Very high	93	Very high	15 Å²	15	22.5 Å²	22.5	6%	0.057	13%	0.127	C	C	.	.			trans	-140.2	141.2	177.3	-65.9	-65.1	-177.9	-96.8	10.2	109.7	A84 S400 G401 S422 M424	A84-R86 VanDerWaalsContact CB-NH1 3.35Å; A84-R86 PolarHBondContact O-N 3.28Å; R86-S400 WeakPolarHBondContact CD-O 3.42Å; R86-S400 WeakPolarHBondContact CG-O 3.14Å; R86-S400 PolarHBondContact NE-O 3.44Å; R86-S400 VanDerWaalsContact NE-O 3.11Å; R86-G401 PolarHBondContact NH2-O 3.48Å; R86-S422 PolarHBondContact NH2-OG 3.34Å; R86-S422 VanDerWaalsContact NH2-OG 3.16Å; R86-M424 WeakPolarHBondContact CD-SD 3.43Å; R86-M424 PolarHBondContact NE-SD 2.86Å; R86-M424 VanDerWaalsContact NE-SD 3.43Å; R86-M424 PolarHBondContact NH1-SD 2.87Å
87	F	93.9	Very high	93.6	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	12%	0.116	C	C	.	.			trans	-112.4	125.3	169.6	177.3	-120.4	0	0	0	108.9	Y61 H89 W90 V93 W111 W345 Q427	Y61-F87 HydrophobicContact CD2-CD2 4.31Å; Y61-F87 HydrophobicContact CD2-CE1 4.31Å; Y61-F87 HydrophobicContact CD2-CE2 4.05Å; Y61-F87 HydrophobicContact CD2-CZ 4.04Å; Y61-F87 AromaticContact CE2-CD2 3.85Å; Y61-F87 HydrophobicContact CE2-CD2 3.85Å; Y61-F87 AromaticContact CE2-CE2 3.98Å; Y61-F87 HydrophobicContact CE2-CE2 3.98Å; Y61-F87 HydrophobicContact CE2-CG 4.17Å; Y61-F87 HydrophobicContact CE2-CZ 4.4Å; F87-H89 HydrophobicContact CE2-CB 3.67Å; F87-H89 HydrophobicContact CZ-CB 3.98Å; F87-H89 VanDerWaalsContact CZ-O 3.23Å; F87-H89 WeakPolarHBondContact CZ-O 3.14Å; F87-W90 AromaticContact CD1-CD2 3.55Å; F87-W90 HydrophobicContact CD1-CD2 3.55Å; F87-W90 AromaticContact CD1-CE2 3.6Å; F87-W90 AromaticContact CD1-CE3 3.71Å; F87-W90 HydrophobicContact CD1-CE3 3.71Å; F87-W90 HydrophobicContact CD1-CG 4.12Å; F87-W90 HydrophobicContact CD1-CH2 4Å; F87-W90 AromaticContact CD1-CZ2 3.84Å; F87-W90 HydrophobicContact CD1-CZ2 3.84Å; F87-W90 AromaticContact CD1-CZ3 3.94Å; F87-W90 HydrophobicContact CD1-CZ3 3.94Å; F87-W90 HydrophobicContact CE1-CB 4.43Å; F87-W90 AromaticContact CE1-CD2 3.68Å; F87-W90 HydrophobicContact CE1-CD2 3.68Å; F87-W90 AromaticContact CE1-CE3 3.64Å; F87-W90 HydrophobicContact CE1-CE3 3.64Å; F87-W90 HydrophobicContact CE1-CG 4.02Å; F87-W90 HydrophobicContact CE1-CZ3 4.16Å; F87-W90 PolarHBondContact O-NE1 3.13Å; F87-V93 HydrophobicContact CE1-CG1 4.48Å; F87-V93 HydrophobicContact CE1-CG2 3.77Å; F87-V93 HydrophobicContact CZ-CG1 3.97Å; F87-V93 HydrophobicContact CZ-CG2 4.05Å; F87-W111 HydrophobicContact CB-CH2 4.09Å; F87-W111 HydrophobicContact CB-CZ3 3.97Å; F87-W345 HydrophobicContact CD2-CZ2 4Å; F87-W345 HydrophobicContact CE2-CD2 4.47Å; F87-W345 AromaticContact CE2-CE2 3.8Å; F87-W345 AromaticContact CE2-CH2 3.68Å; F87-W345 HydrophobicContact CE2-CH2 3.68Å; F87-W345 AromaticContact CE2-CZ2 3.4Å; F87-W345 HydrophobicContact CE2-CZ2 3.4Å; F87-W345 HydrophobicContact CE2-CZ3 4.32Å; F87-W345 HydrophobicContact CZ-CH2 4.2Å; F87-W345 HydrophobicContact CZ-CZ2 4.34Å; F87-Q427 PolarHBondContact O-NE2 2.8Å
88	V	91.7	Very high	94.2	Very high	10 Å²	10	17.3 Å²	17.3	6%	0.061	10%	0.098	C	C	.	.			trans	-117.7	-12.2	-176.9	-64.6	0	0	0	0	113.6	W90 F430	V88-W90 PolarHBondContact O-N 3.05Å; V88-W90 VanDerWaalsContact O-N 3.11Å; V88-F430 HydrophobicContact CB-CB 4.18Å; V88-F430 HydrophobicContact CB-CD2 3.97Å; V88-F430 HydrophobicContact CB-CG 3.95Å; V88-F430 HydrophobicContact CG1-CD1 4.5Å; V88-F430 HydrophobicContact CG1-CD2 3.63Å; V88-F430 HydrophobicContact CG1-CE2 3.77Å; V88-F430 HydrophobicContact CG1-CG 4.02Å; V88-F430 HydrophobicContact CG1-CZ 4.24Å
89	H	92.5	Very high	94.6	Very high	28 Å²	28	16.1 Å²	16.1	13%	0.13	9%	0.092	C	C	.	.			trans	-89.5	40.7	-175	-55.7	-75.9	0	0	0	112.7	F87 H91 L92 N341 W345	F87-H89 HydrophobicContact CE2-CB 3.67Å; F87-H89 HydrophobicContact CZ-CB 3.98Å; F87-H89 VanDerWaalsContact CZ-O 3.23Å; F87-H89 WeakPolarHBondContact CZ-O 3.14Å; H89-H91 PolarHBondContact O-N 3.46Å; H89-H91 VanDerWaalsContact O-N 3.11Å; H89-L92 HydrophobicContact CB-CD1 3.89Å; H89-L92 HydrophobicContact CB-CG 4.25Å; H89-L92 WeakPolarHBondContact O-CB 3.45Å; H89-L92 PolarHBondContact O-N 3.38Å; H89-N341 PolarHBondContact NE2-ND2 3.46Å; H89-N341 VanDerWaalsContact NE2-ND2 3.17Å; H89-W345 HydrophobicContact CB-CD2 4.17Å; H89-W345 HydrophobicContact CB-CE3 4.3Å; H89-W345 HydrophobicContact CB-CG 4.39Å; H89-W345 AromaticContact CD2-CD1 3.11Å; H89-W345 AromaticContact CD2-CD2 3.73Å; H89-W345 AromaticContact CD2-CE2 4Å; H89-W345 AromaticContact CD2-CG 3.19Å; H89-W345 AromaticContact CD2-NE1 3.6Å; H89-W345 AromaticContact CG-CG 3.79Å; H89-W345 AromaticContact NE2-CD1 3.4Å; H89-W345 AromaticContact NE2-CG 3.53Å
90	W	93.7	Very high	94.7	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.011	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-58.4	-26.8	-174.7	-65.8	100.5	0	0	0	114.1	F87 V88 L92 V93 F96 W111 L114 A115 Q118 V120	F87-W90 AromaticContact CD1-CD2 3.55Å; F87-W90 HydrophobicContact CD1-CD2 3.55Å; F87-W90 AromaticContact CD1-CE2 3.6Å; F87-W90 AromaticContact CD1-CE3 3.71Å; F87-W90 HydrophobicContact CD1-CE3 3.71Å; F87-W90 HydrophobicContact CD1-CG 4.12Å; F87-W90 HydrophobicContact CD1-CH2 4Å; F87-W90 AromaticContact CD1-CZ2 3.84Å; F87-W90 HydrophobicContact CD1-CZ2 3.84Å; F87-W90 AromaticContact CD1-CZ3 3.94Å; F87-W90 HydrophobicContact CD1-CZ3 3.94Å; F87-W90 HydrophobicContact CE1-CB 4.43Å; F87-W90 AromaticContact CE1-CD2 3.68Å; F87-W90 HydrophobicContact CE1-CD2 3.68Å; F87-W90 AromaticContact CE1-CE3 3.64Å; F87-W90 HydrophobicContact CE1-CE3 3.64Å; F87-W90 HydrophobicContact CE1-CG 4.02Å; F87-W90 HydrophobicContact CE1-CZ3 4.16Å; F87-W90 PolarHBondContact O-NE1 3.13Å; V88-W90 PolarHBondContact O-N 3.05Å; V88-W90 VanDerWaalsContact O-N 3.11Å; W90-L92 PolarHBondContact O-N 2.78Å; W90-V93 HydrophobicContact CE3-CG2 4.36Å; W90-V93 PolarHBondContact O-N 2.98Å; W90-F96 HydrophobicContact CH2-CD2 4.09Å; W90-F96 HydrophobicContact CH2-CE2 4.3Å; W90-F96 HydrophobicContact CH2-CG 4.31Å; W90-F96 HydrophobicContact CZ3-CB 4.1Å; W90-F96 AromaticContact CZ3-CD2 3.94Å; W90-F96 HydrophobicContact CZ3-CD2 3.94Å; W90-F96 HydrophobicContact CZ3-CG 4.05Å; W90-W111 AromaticContact CH2-CE3 3.66Å; W90-W111 HydrophobicContact CH2-CE3 3.66Å; W90-W111 AromaticContact CH2-CZ3 3.81Å; W90-W111 HydrophobicContact CH2-CZ3 3.81Å; W90-W111 AromaticContact CZ2-CE3 3.78Å; W90-W111 HydrophobicContact CZ2-CE3 3.78Å; W90-W111 AromaticContact CZ2-CZ3 3.66Å; W90-W111 HydrophobicContact CZ2-CZ3 3.66Å; W90-L114 HydrophobicContact CH2-CB 4.41Å; W90-L114 HydrophobicContact CZ2-CB 3.69Å; W90-A115 HydrophobicContact CE3-CB 4.18Å; W90-A115 HydrophobicContact CH2-CB 3.83Å; W90-A115 HydrophobicContact CZ3-CB 3.5Å; W90-Q118 HydrophobicContact CB-CB 3.5Å; W90-Q118 VanDerWaalsContact CB-CB 3.5Å; W90-Q118 HydrophobicContact CB-CG 3.54Å; W90-Q118 HydrophobicContact CD2-CG 4.43Å; W90-Q118 HydrophobicContact CG-CB 3.97Å; W90-Q118 HydrophobicContact CG-CG 3.67Å; W90-V120 HydrophobicContact CB-CG2 4.48Å; W90-V120 HydrophobicContact CE3-CB 4.11Å; W90-V120 HydrophobicContact CE3-CG1 4.28Å; W90-V120 HydrophobicContact CE3-CG2 3.93Å; W90-V120 HydrophobicContact CZ3-CB 4.41Å; W90-V120 HydrophobicContact CZ3-CG1 4.26Å
91	H	91.7	Very high	94.7	Very high	19 Å²	19	15.1 Å²	15.1	9%	0.088	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-64.9	-14.4	174.4	64.5	-84.1	0	0	0	113.3	H89 R356 K369	H89-H91 PolarHBondContact O-N 3.46Å; H89-H91 VanDerWaalsContact O-N 3.11Å; H91-R356 PolarHBondContact O-NH1 3.44Å; H91-K369 WeakPolarHBondContact O-CB 3.44Å
92	L	94.6	Very high	94.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-92.9	-6.8	179.1	-59	-178.2	0	0	0	113.9	H89 W90 W345 S349 I352 R356	H89-L92 HydrophobicContact CB-CD1 3.89Å; H89-L92 HydrophobicContact CB-CG 4.25Å; H89-L92 WeakPolarHBondContact O-CB 3.45Å; H89-L92 PolarHBondContact O-N 3.38Å; W90-L92 PolarHBondContact O-N 2.78Å; L92-W345 HydrophobicContact CB-CZ3 4.49Å; L92-W345 HydrophobicContact CD1-CE3 3.66Å; L92-W345 HydrophobicContact CD1-CZ3 4.26Å; L92-S349 WeakPolarHBondContact CD2-OG 3.47Å; L92-I352 HydrophobicContact CB-CD1 4.07Å; L92-I352 HydrophobicContact CB-CG2 4.35Å; L92-I352 HydrophobicContact CD2-CG2 4.39Å; L92-I352 WeakPolarHBondContact O-CG2 3.48Å; L92-R356 PolarHBondContact O-NH2 2.87Å
93	V	96	Very high	94.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.			trans	-127.8	151.4	-173.7	-54.1	0	0	0	0	110.9	V59 F87 W90 V120 K369	V59-V93 HydrophobicContact CG1-CG1 4.25Å; F87-V93 HydrophobicContact CE1-CG1 4.48Å; F87-V93 HydrophobicContact CE1-CG2 3.77Å; F87-V93 HydrophobicContact CZ-CG1 3.97Å; F87-V93 HydrophobicContact CZ-CG2 4.05Å; W90-V93 HydrophobicContact CE3-CG2 4.36Å; W90-V93 PolarHBondContact O-N 2.98Å; V93-V120 HydrophobicContact CG2-CG1 4.12Å; V93-V120 HydrophobicContact CG2-CG2 3.96Å; V93-V120 WeakPolarHBondContact O-CG2 3.17Å; V93-K369 PolarHBondContact O-NZ 3.34Å
94	D	96	Very high	95.1	Very high	19 Å²	19	15.1 Å²	15.1	10%	0.102	7%	0.071	C	C	.	.	S	Bend	trans	-108	-33.7	-177.9	-56.6	-65.3	0	0	0	111.1	K58 V59 S121 R356	K58-D94 VanDerWaalsContact CA-OD2 3.32Å; K58-D94 WeakPolarHBondContact CA-OD2 3.44Å; K58-D94 HydrophobicContact CB-CB 4.13Å; K58-D94 HydrophobicContact CD-CB 4.48Å; K58-D94 HydrophobicContact CG-CB 4.33Å; V59-D94 PolarHBondContact N-OD2 3.47Å; V59-D94 PolarHBondContact O-N 3.35Å; D94-S121 PolarHBondContact O-N 3.09Å; D94-R356 IonicContact OD1-CZ 3.93Å; D94-R356 IonicContact OD1-NE 3.24Å; D94-R356 IonicContact OD1-NH2 3.46Å; D94-R356 PolarHBondContact OD1-NH2 3.25Å; D94-R356 IonicContact OD2-CZ 3.29Å; D94-R356 IonicContact OD2-NE 2.8Å; D94-R356 IonicContact OD2-NH2 3.16Å; D94-R356 PolarHBondContact OD2-NH2 3.21Å
95	I	97.9	Very high	95.2	Very high	6 Å²	6	15 Å²	15	3%	0.031	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.3	-178.4	-60.3	164	0	0	0	108.8	V59 I60 Y61 I97 S121 Y123 I210 F270	V59-I95 PolarHBondContact O-N 3.45Å; I60-I95 CarbonylContact C-O 3.57Å; I60-I95 WeakPolarHBondContact CA-O 3.44Å; I60-I95 HydrophobicContact CG1-CB 3.88Å; I60-I95 HydrophobicContact CG1-CD1 4.06Å; I60-I95 HydrophobicContact CG1-CG2 4.17Å; Y61-I95 PolarHBondContact N-O 3.44Å; I95-I97 HydrophobicContact CG2-CG1 4.13Å; I95-S121 CarbonylContact C-O 3.46Å; I95-S121 WeakPolarHBondContact CA-O 3.13Å; I95-Y123 HydrophobicContact CD1-CE2 4.25Å; I95-Y123 HydrophobicContact CG2-CD1 4.42Å; I95-Y123 HydrophobicContact CG2-CD2 3.76Å; I95-Y123 HydrophobicContact CG2-CE1 4.24Å; I95-Y123 HydrophobicContact CG2-CE2 3.58Å; I95-Y123 HydrophobicContact CG2-CG 4.16Å; I95-I210 HydrophobicContact CD1-CD1 4.36Å; I95-F270 HydrophobicContact CD1-CE1 4.42Å; I95-F270 HydrophobicContact CD1-CZ 4.12Å
96	F	98.6	Very high	95.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.8	172.6	177.7	-94.3	0	0	0	109.6	Y61 H63 W90 Y98 W111 V120 S121 V122 Y123	Y61-F96 AromaticContact CD1-CD2 3.31Å; Y61-F96 HydrophobicContact CD1-CD2 3.31Å; Y61-F96 AromaticContact CD1-CE2 3.32Å; Y61-F96 HydrophobicContact CD1-CE2 3.32Å; Y61-F96 HydrophobicContact CD1-CG 4.49Å; Y61-F96 HydrophobicContact CD1-CZ 4.5Å; Y61-F96 AromaticContact CE1-CD2 3.95Å; Y61-F96 HydrophobicContact CE1-CD2 3.95Å; Y61-F96 AromaticContact CE1-CE2 3.45Å; Y61-F96 HydrophobicContact CE1-CE2 3.45Å; Y61-F96 VanDerWaalsContact CE1-CE2 3.45Å; Y61-F96 HydrophobicContact CE1-CZ 4.47Å; Y61-F96 AromaticContact CG-CD2 3.93Å; Y61-F96 HydrophobicContact CG-CD2 3.93Å; Y61-F96 HydrophobicContact CG-CE2 4.28Å; Y61-F96 WeakPolarHBondContact O-CA 3.44Å; H63-F96 HydrophobicContact CB-CE2 4.19Å; H63-F96 HydrophobicContact CB-CZ 3.95Å; H63-F96 AromaticContact ND1-CZ 3.84Å; W90-F96 HydrophobicContact CH2-CD2 4.09Å; W90-F96 HydrophobicContact CH2-CE2 4.3Å; W90-F96 HydrophobicContact CH2-CG 4.31Å; W90-F96 HydrophobicContact CZ3-CB 4.1Å; W90-F96 AromaticContact CZ3-CD2 3.94Å; W90-F96 HydrophobicContact CZ3-CD2 3.94Å; W90-F96 HydrophobicContact CZ3-CG 4.05Å; F96-Y98 AromaticContact CE1-CD2 3.81Å; F96-Y98 HydrophobicContact CE1-CD2 3.81Å; F96-Y98 HydrophobicContact CE1-CG 4.48Å; F96-Y98 AromaticContact CZ-CD2 3.98Å; F96-Y98 HydrophobicContact CZ-CD2 3.98Å; F96-W111 HydrophobicContact CE1-CB 3.99Å; F96-W111 HydrophobicContact CE1-CD2 4.11Å; F96-W111 HydrophobicContact CE1-CE3 4.07Å; F96-W111 HydrophobicContact CE1-CG 4.11Å; F96-W111 HydrophobicContact CE2-CE3 4.02Å; F96-W111 HydrophobicContact CE2-CZ3 4.05Å; F96-W111 HydrophobicContact CZ-CB 4.5Å; F96-W111 AromaticContact CZ-CD2 3.71Å; F96-W111 HydrophobicContact CZ-CD2 3.71Å; F96-W111 AromaticContact CZ-CE3 3.54Å; F96-W111 HydrophobicContact CZ-CE3 3.54Å; F96-W111 HydrophobicContact CZ-CG 4.17Å; F96-W111 AromaticContact CZ-CZ3 3.96Å; F96-W111 HydrophobicContact CZ-CZ3 3.96Å; F96-V120 HydrophobicContact CB-CG1 3.71Å; F96-S121 PolarHBondContact N-O 3.47Å; F96-V122 HydrophobicContact CB-CG2 4.46Å; F96-V122 HydrophobicContact CD1-CG1 4.19Å; F96-V122 HydrophobicContact CD1-CG2 4.36Å; F96-V122 CarbonylContact O-C 3.54Å; F96-V122 VanDerWaalsContact O-CA 3.3Å; F96-V122 WeakPolarHBondContact O-CA 3.42Å; F96-Y123 PolarHBondContact O-N 3.4Å
97	I	98.7	Very high	95.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.4	175.2	-57.6	175.8	0	0	0	107.6	I60 Y61 C62 H63 I95 F99 Y123 F176	I60-I97 HydrophobicContact CD1-CD1 4.31Å; I60-I97 HydrophobicContact CG2-CD1 3.58Å; I60-I97 HydrophobicContact CG2-CG1 3.93Å; Y61-I97 PolarHBondContact O-N 2.91Å; C62-I97 HydrophobicContact CB-CB 4.44Å; H63-I97 VanDerWaalsContact CB-O 3.24Å; H63-I97 WeakPolarHBondContact CB-O 3.44Å; H63-I97 PolarHBondContact N-O 2.91Å; I95-I97 HydrophobicContact CG2-CG1 4.13Å; I97-F99 PolarHBondContact O-N 3.03Å; I97-Y123 HydrophobicContact CG1-CD2 4.18Å; I97-F176 HydrophobicContact CD1-CB 4.04Å; I97-F176 HydrophobicContact CD1-CD2 4.13Å; I97-F176 HydrophobicContact CD1-CG 3.99Å; I97-F176 HydrophobicContact CG1-CB 4.48Å; I97-F176 HydrophobicContact CG2-CB 3.69Å; I97-F176 HydrophobicContact CG2-CD1 3.91Å; I97-F176 HydrophobicContact CG2-CG 4.02Å
98	Y	98.5	Very high	95.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.066	C	C	.	.			trans	-78.5	110.4	168.4	-158.7	-100.4	0	0	0	108.3	H63 Y69 D73 F96 T105 P107 P108 W111 Y123 T125	H63-Y98 HydrophobicContact CB-CD2 4.33Å; H63-Y98 AromaticContact CD2-CD2 3.58Å; H63-Y98 AromaticContact CD2-CE2 3.3Å; H63-Y98 WeakPolarHBondContact CD2-CE2 3.43Å; H63-Y98 AromaticContact CD2-CZ 3.91Å; H63-Y98 AromaticContact CE1-CE2 3.98Å; H63-Y98 AromaticContact CG-CD2 3.95Å; H63-Y98 AromaticContact NE2-CD2 3.98Å; H63-Y98 AromaticContact NE2-CE2 3.26Å; H63-Y98 VanDerWaalsContact NE2-CE2 3.26Å; H63-Y98 WeakPolarHBondContact NE2-CE2 3.4Å; H63-Y98 AromaticContact NE2-CZ 3.83Å; Y69-Y98 WeakPolarHBondContact CA-OH 3.22Å; Y69-Y98 HydrophobicContact CD1-CE1 4.31Å; Y69-Y98 HydrophobicContact CD2-CE1 4.13Å; Y69-Y98 HydrophobicContact CE1-CE1 4.14Å; Y69-Y98 AromaticContact CE2-CE1 3.98Å; Y69-Y98 HydrophobicContact CE2-CE1 3.98Å; Y69-Y98 HydrophobicContact CG-CE1 4.31Å; Y69-Y98 AromaticContact CZ-CE1 3.98Å; Y69-Y98 PolarHBondContact N-OH 2.93Å; D73-Y98 PolarHBondContact OD1-OH 2.83Å; D73-Y98 PolarHBondContact OD2-OH 3.36Å; F96-Y98 AromaticContact CE1-CD2 3.81Å; F96-Y98 HydrophobicContact CE1-CD2 3.81Å; F96-Y98 HydrophobicContact CE1-CG 4.48Å; F96-Y98 AromaticContact CZ-CD2 3.98Å; F96-Y98 HydrophobicContact CZ-CD2 3.98Å; Y98-T105 HydrophobicContact CD1-CG2 3.58Å; Y98-T105 HydrophobicContact CE1-CG2 4.34Å; Y98-T105 VanDerWaalsContact O-CG2 3.26Å; Y98-T105 WeakPolarHBondContact O-CG2 3.45Å; Y98-P107 HydrophobicContact CG-CB 4.39Å; Y98-P108 VanDerWaalsContact CD1-CD 3.44Å; Y98-P108 HydrophobicContact CD1-CG 4.37Å; Y98-P108 HydrophobicContact CE1-CG 3.78Å; Y98-P108 HydrophobicContact CE2-CG 4.08Å; Y98-P108 VanDerWaalsContact CZ-CD 3.48Å; Y98-W111 AromaticContact CD2-CD1 3.81Å; Y98-W111 HydrophobicContact CD2-CG 4.18Å; Y98-W111 AromaticContact CE2-CD1 3.32Å; Y98-W111 HydrophobicContact CE2-CG 4.09Å; Y98-W111 AromaticContact CE2-NE1 3.37Å; Y98-Y123 PolarHBondContact N-O 3.28Å; Y98-T125 PolarHBondContact O-OG1 2.83Å
99	F	97.5	Very high	95.7	Very high	5 Å²	5	13.7 Å²	13.7	2%	0.022	6%	0.064	C	C	.	.			trans	-109.3	137.2	-173.5	-175.2	-88.7	0	0	0	110.4	D64 I97 H101 T125 I127 F176 F312	D64-F99 HydrophobicContact CB-CB 4.43Å; D64-F99 HydrophobicContact CB-CD1 3.67Å; D64-F99 HydrophobicContact CB-CE1 4.38Å; D64-F99 HydrophobicContact CB-CG 4.37Å; I97-F99 PolarHBondContact O-N 3.03Å; F99-H101 AromaticContact CE1-NE2 3.79Å; F99-T125 HydrophobicContact CD2-CG2 3.9Å; F99-T125 HydrophobicContact CE2-CG2 4.08Å; F99-I127 HydrophobicContact CE2-CD1 4.48Å; F99-I127 HydrophobicContact CZ-CD1 4.11Å; F99-F176 HydrophobicContact CD2-CD1 4.05Å; F99-F176 AromaticContact CD2-CE1 3.87Å; F99-F176 HydrophobicContact CD2-CE1 3.87Å; F99-F176 HydrophobicContact CE2-CD1 4.37Å; F99-F176 AromaticContact CE2-CE1 3.85Å; F99-F176 HydrophobicContact CE2-CE1 3.85Å; F99-F312 HydrophobicContact CD1-CE2 4.29Å; F99-F312 HydrophobicContact CD1-CZ 4.42Å; F99-F312 HydrophobicContact CE1-CE2 4.29Å; F99-F312 HydrophobicContact CE1-CZ 4.17Å; F99-F312 HydrophobicContact CG-CE2 4.41Å; F99-F312 HydrophobicContact CZ-CE2 4.43Å
100	S	94.9	Very high	95.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.059	C	C	.	.			trans	-151.4	166.2	166.4	81.9	0	0	0	0	108.9	Q102 T105	S100-Q102 PolarHBondContact O-N 2.76Å; S100-Q102 WeakPolarHBondContact OG-CB 3.45Å; S100-Q102 WeakPolarHBondContact OG-CG 3.37Å; S100-Q102 PolarHBondContact OG-N 3.27Å; S100-T105 PolarHBondContact OG-OG1 3.44Å
101	H	93.1	Very high	95.7	Very high	101 Å²	101	12.3 Å²	12.3	47%	0.468	6%	0.059	S	C	.	.	S	Bend	trans	-84	25.3	176.3	-67.1	-90.1	0	0	0	113.2	F99 E129	F99-H101 AromaticContact CE1-NE2 3.79Å; H101-E129 IonicContact CE1-OE1 2.73Å; H101-E129 IonicContact CG-OE1 2.92Å; H101-E129 IonicContact ND1-OE1 3.75Å; H101-E129 PolarHBondContact ND1-OE1 2.96Å
102	Q	93.9	Very high	95.8	Very high	75 Å²	75	11.4 Å²	11.4	35%	0.35	6%	0.055	S	C	.	.	S	Bend	trans	-98.7	142.4	179.7	-60.4	-72.8	-10.2	0	0	110.2	P15 S17 S100 I104 T105 I127	P15-Q102 HydrophobicContact CB-CB 3.44Å; P15-Q102 VanDerWaalsContact CB-CB 3.44Å; P15-Q102 HydrophobicContact CB-CG 3.55Å; P15-Q102 HydrophobicContact CG-CB 4.14Å; P15-Q102 HydrophobicContact CG-CG 3.69Å; S17-Q102 PolarHBondContact OG-OE1 2.79Å; S100-Q102 PolarHBondContact O-N 2.76Å; S100-Q102 WeakPolarHBondContact OG-CB 3.45Å; S100-Q102 WeakPolarHBondContact OG-CG 3.37Å; S100-Q102 PolarHBondContact OG-N 3.27Å; Q102-I104 VanDerWaalsContact C-N 3.28Å; Q102-I104 PolarHBondContact O-N 2.77Å; Q102-I104 VanDerWaalsContact O-N 3.08Å; Q102-T105 PolarHBondContact O-OG1 2.9Å; Q102-I127 WeakPolarHBondContact O-CG2 3.4Å
103	F	95.1	Very high	95.6	Very high	21 Å²	21	12.2 Å²	12.2	9%	0.092	6%	0.059	C	C	.	.	S	Bend	trans	-43.4	-51.4	-173.4	172.2	-138.3	0	0	0	113	I19 V126 I127 M128 I139 F159	I19-F103 HydrophobicContact CD1-CE1 3.79Å; I19-F103 HydrophobicContact CD1-CZ 4.14Å; I19-F103 HydrophobicContact CG1-CE1 4.44Å; F103-V126 HydrophobicContact CE2-CG1 4.39Å; F103-V126 WeakPolarHBondContact O-CA 3.32Å; F103-I127 WeakPolarHBondContact CD2-O 3.37Å; F103-I127 PolarHBondContact O-N 3.2Å; F103-M128 HydrophobicContact CE2-CE 3.64Å; F103-M128 HydrophobicContact CE2-CG 4.43Å; F103-M128 HydrophobicContact CZ-CE 4.28Å; F103-I139 HydrophobicContact CZ-CD1 3.78Å; F103-F159 HydrophobicContact CE2-CZ 4.29Å; F103-F159 HydrophobicContact CZ-CE2 4.11Å; F103-F159 AromaticContact CZ-CZ 3.95Å; F103-F159 HydrophobicContact CZ-CZ 3.95Å
104	I	97.2	Very high	95.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.9	168.4	-51	158.2	0	0	0	109	I16 L22 Q102 V106 T125 V126 F159 L163 W175	I16-I104 HydrophobicContact CB-CB 4.11Å; I16-I104 HydrophobicContact CB-CD1 4.38Å; I16-I104 HydrophobicContact CD1-CD1 4.43Å; I16-I104 HydrophobicContact CD1-CG2 4.45Å; I16-I104 HydrophobicContact CG2-CD1 4.25Å; I16-I104 PolarHBondContact N-O 3.4Å; I16-I104 PolarHBondContact O-N 3.46Å; L22-I104 HydrophobicContact CD1-CD1 3.65Å; L22-I104 HydrophobicContact CD2-CD1 3.99Å; L22-I104 HydrophobicContact CG-CD1 4.25Å; Q102-I104 VanDerWaalsContact C-N 3.28Å; Q102-I104 PolarHBondContact O-N 2.77Å; Q102-I104 VanDerWaalsContact O-N 3.08Å; I104-V106 HydrophobicContact CG2-CG2 4.44Å; I104-T125 WeakPolarHBondContact CA-O 3.45Å; I104-V126 HydrophobicContact CG2-CG2 4.49Å; I104-F159 HydrophobicContact CD1-CE2 3.75Å; I104-F159 HydrophobicContact CD1-CZ 4.26Å; I104-F159 HydrophobicContact CG1-CE2 4.37Å; I104-F159 HydrophobicContact CG1-CZ 4.39Å; I104-L163 HydrophobicContact CD1-CD2 4.06Å; I104-L163 HydrophobicContact CG1-CD2 4.31Å; I104-L163 HydrophobicContact CG2-CD2 3.9Å; I104-W175 HydrophobicContact CG2-CH2 3.65Å; I104-W175 HydrophobicContact CG2-CZ3 3.62Å
105	T	97.9	Very high	95.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	106.1	176.1	-58.7	0	0	0	0	109	Y69 Y98 S100 Q102 G124 T125	Y69-T105 HydrophobicContact CE2-CG2 3.99Å; Y69-T105 WeakPolarHBondContact OH-CA 3.36Å; Y69-T105 WeakPolarHBondContact OH-CG2 3.27Å; Y98-T105 HydrophobicContact CD1-CG2 3.58Å; Y98-T105 HydrophobicContact CE1-CG2 4.34Å; Y98-T105 VanDerWaalsContact O-CG2 3.26Å; Y98-T105 WeakPolarHBondContact O-CG2 3.45Å; S100-T105 PolarHBondContact OG-OG1 3.44Å; Q102-T105 PolarHBondContact O-OG1 2.9Å; T105-G124 WeakPolarHBondContact O-CA 3.35Å; T105-T125 PolarHBondContact N-O 2.79Å; T105-T125 PolarHBondContact O-N 3.36Å
106	V	97.3	Very high	95	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.018	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-87.5	118.6	169.5	-176.1	0	0	0	0	108.9	I16 Y69 I104 I166 V170 F172	I16-V106 HydrophobicContact CD1-CG2 4.18Å; Y69-V106 WeakPolarHBondContact CE1-O 3.34Å; Y69-V106 PolarHBondContact OH-N 2.92Å; Y69-V106 PolarHBondContact OH-O 3.13Å; I104-V106 HydrophobicContact CG2-CG2 4.44Å; V106-I166 HydrophobicContact CG1-CG2 4.18Å; V106-I166 HydrophobicContact CG2-CG2 3.79Å; V106-V170 HydrophobicContact CG1-CG1 4.24Å; V106-V170 HydrophobicContact CG1-CG2 3.94Å; V106-F172 HydrophobicContact CG1-CE1 4.2Å
107	P	97.2	Very high	94.4	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-57.7	137.5	-178.3	-24	33.7	0	0	0	112	Y98 I112 V122 F172	Y98-P107 HydrophobicContact CG-CB 4.39Å; P107-I112 HydrophobicContact CB-CD1 4.13Å; P107-I112 HydrophobicContact CB-CG1 3.95Å; P107-V122 HydrophobicContact CB-CG1 3.7Å; P107-V122 HydrophobicContact CG-CG1 3.75Å; P107-F172 HydrophobicContact CG-CG 4.44Å
108	P	95.4	Very high	93.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.	P	Polyproline II helix	trans	-60.7	142	175.1	-26.2	34.6	0	0	0	112.9	S13 Y69 Y98 S110 W111 I112	S13-P108 WeakPolarHBondContact OG-CA 3.34Å; Y69-P108 HydrophobicContact CD1-CG 4.1Å; Y69-P108 HydrophobicContact CE1-CG 4.1Å; Y98-P108 VanDerWaalsContact CD1-CD 3.44Å; Y98-P108 HydrophobicContact CD1-CG 4.37Å; Y98-P108 HydrophobicContact CE1-CG 3.78Å; Y98-P108 HydrophobicContact CE2-CG 4.08Å; Y98-P108 VanDerWaalsContact CZ-CD 3.48Å; P108-S110 PolarHBondContact O-N 3.31Å; P108-S110 VanDerWaalsContact O-N 3.13Å; P108-W111 PolarHBondContact O-N 3.24Å; P108-I112 PolarHBondContact O-N 2.89Å; P108-I112 VanDerWaalsContact O-N 3.12Å
109	V	92.3	Very high	93.5	Very high	5 Å²	5	13 Å²	13	3%	0.03	6%	0.062	C	C	.	.	H	α-helix	trans	-51.7	-38.7	179.2	169.4	0	0	0	0	112.3	Y11 S13 F27 L33 T34 V76 I112 N113	Y11-V109 HydrophobicContact CD1-CG2 4.09Å; Y11-V109 HydrophobicContact CE1-CG2 4.2Å; S13-V109 PolarHBondContact OG-N 2.86Å; F27-V109 HydrophobicContact CE2-CG2 4.21Å; F27-V109 HydrophobicContact CZ-CG2 3.99Å; L33-V109 HydrophobicContact CB-CG1 4.11Å; L33-V109 HydrophobicContact CB-CG2 4.46Å; L33-V109 WeakPolarHBondContact O-CG1 3.39Å; T34-V109 HydrophobicContact CG2-CB 4.35Å; T34-V109 HydrophobicContact CG2-CG1 3.97Å; T34-V109 HydrophobicContact CG2-CG2 4.19Å; V76-V109 HydrophobicContact CG1-CB 4.31Å; V76-V109 HydrophobicContact CG1-CG1 3.95Å; V109-I112 PolarHBondContact O-N 3.4Å; V109-N113 WeakPolarHBondContact O-CB 3.29Å; V109-N113 VanDerWaalsContact O-CG 3.26Å; V109-N113 PolarHBondContact O-N 3.13Å
110	S	90.2	Very high	93.4	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-58.3	-47.1	176.9	54	0	0	0	0	112.6	D73 P108 N113 L114	D73-S110 PolarHBondContact O-OG 3.4Å; P108-S110 PolarHBondContact O-N 3.31Å; P108-S110 VanDerWaalsContact O-N 3.13Å; S110-N113 PolarHBondContact O-N 3.25Å; S110-L114 VanDerWaalsContact O-CG 3.29Å; S110-L114 WeakPolarHBondContact O-CG 3.43Å; S110-L114 PolarHBondContact O-N 3.15Å; S110-L114 VanDerWaalsContact O-N 3.14Å
111	W	95.2	Very high	93.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68	-41.8	178.4	-78.5	113.2	0	0	0	112	H63 D73 F85 F87 W90 F96 Y98 P108 N113 L114 A115 M424	H63-W111 AromaticContact CE1-CZ2 3.63Å; D73-W111 PolarHBondContact OD2-NE1 3.16Å; F85-W111 AromaticContact CD1-CH2 3.99Å; F85-W111 HydrophobicContact CD1-CH2 3.99Å; F85-W111 AromaticContact CD1-CZ2 3.93Å; F85-W111 HydrophobicContact CD1-CZ2 3.93Å; F85-W111 AromaticContact CE1-CH2 3.81Å; F85-W111 HydrophobicContact CE1-CH2 3.81Å; F85-W111 HydrophobicContact CE1-CZ2 4.11Å; F87-W111 HydrophobicContact CB-CH2 4.09Å; F87-W111 HydrophobicContact CB-CZ3 3.97Å; W90-W111 AromaticContact CH2-CE3 3.66Å; W90-W111 HydrophobicContact CH2-CE3 3.66Å; W90-W111 AromaticContact CH2-CZ3 3.81Å; W90-W111 HydrophobicContact CH2-CZ3 3.81Å; W90-W111 AromaticContact CZ2-CE3 3.78Å; W90-W111 HydrophobicContact CZ2-CE3 3.78Å; W90-W111 AromaticContact CZ2-CZ3 3.66Å; W90-W111 HydrophobicContact CZ2-CZ3 3.66Å; F96-W111 HydrophobicContact CE1-CB 3.99Å; F96-W111 HydrophobicContact CE1-CD2 4.11Å; F96-W111 HydrophobicContact CE1-CE3 4.07Å; F96-W111 HydrophobicContact CE1-CG 4.11Å; F96-W111 HydrophobicContact CE2-CE3 4.02Å; F96-W111 HydrophobicContact CE2-CZ3 4.05Å; F96-W111 HydrophobicContact CZ-CB 4.5Å; F96-W111 AromaticContact CZ-CD2 3.71Å; F96-W111 HydrophobicContact CZ-CD2 3.71Å; F96-W111 AromaticContact CZ-CE3 3.54Å; F96-W111 HydrophobicContact CZ-CE3 3.54Å; F96-W111 HydrophobicContact CZ-CG 4.17Å; F96-W111 AromaticContact CZ-CZ3 3.96Å; F96-W111 HydrophobicContact CZ-CZ3 3.96Å; Y98-W111 AromaticContact CD2-CD1 3.81Å; Y98-W111 HydrophobicContact CD2-CG 4.18Å; Y98-W111 AromaticContact CE2-CD1 3.32Å; Y98-W111 HydrophobicContact CE2-CG 4.09Å; Y98-W111 AromaticContact CE2-NE1 3.37Å; P108-W111 PolarHBondContact O-N 3.24Å; W111-N113 VanDerWaalsContact C-N 3.34Å; W111-N113 PolarHBondContact O-N 3.38Å; W111-L114 PolarHBondContact O-N 3.27Å; W111-A115 WeakPolarHBondContact O-CB 3.37Å; W111-A115 PolarHBondContact O-N 2.92Å; W111-M424 HydrophobicContact CD2-CE 3.57Å; W111-M424 VanDerWaalsContact CE2-CE 3.46Å; W111-M424 HydrophobicContact CE3-CE 3.86Å; W111-M424 HydrophobicContact CG-CE 4.11Å; W111-M424 HydrophobicContact CH2-CE 4.01Å; W111-M424 HydrophobicContact CZ2-CE 3.7Å; W111-M424 HydrophobicContact CZ3-CE 4.09Å
112	I	94.4	Very high	93.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-56.1	-51.5	174.7	-63.1	171.2	0	0	0	109.8	T34 P107 P108 V109 L114 A115 H116 V122 V170 F172	T34-I112 HydrophobicContact CG2-CB 4.11Å; T34-I112 HydrophobicContact CG2-CD1 4.08Å; T34-I112 HydrophobicContact CG2-CG2 3.83Å; P107-I112 HydrophobicContact CB-CD1 4.13Å; P107-I112 HydrophobicContact CB-CG1 3.95Å; P108-I112 PolarHBondContact O-N 2.89Å; P108-I112 VanDerWaalsContact O-N 3.12Å; V109-I112 PolarHBondContact O-N 3.4Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.47Å; I112-A115 PolarHBondContact O-N 3.45Å; I112-H116 VanDerWaalsContact CG2-CE1 3.49Å; I112-H116 WeakPolarHBondContact CG2-CE1 3.23Å; I112-H116 VanDerWaalsContact O-CB 3.24Å; I112-H116 WeakPolarHBondContact O-CB 3.49Å; I112-H116 PolarHBondContact O-CD2 3.37Å; I112-H116 VanDerWaalsContact O-CG 3.24Å; I112-H116 PolarHBondContact O-N 3.5Å; I112-V122 HydrophobicContact CG1-CB 4.5Å; I112-V122 HydrophobicContact CG1-CG1 4.04Å; I112-V170 HydrophobicContact CD1-CG1 3.49Å; I112-V170 VanDerWaalsContact CD1-CG1 3.49Å; I112-F172 HydrophobicContact CD1-CB 4.2Å; I112-F172 HydrophobicContact CD1-CD1 4.16Å; I112-F172 HydrophobicContact CG1-CB 4.47Å
113	N	90.9	Very high	93.9	Very high	17 Å²	17	5.7 Å²	5.7	9%	0.091	3%	0.03	C	C	.	.	H	α-helix	trans	-61.2	-40.6	-178.4	-73	-10.6	0	0	0	113.3	L33 T34 L35 V109 S110 W111 R117	L33-N113 PolarHBondContact O-ND2 3.46Å; T34-N113 WeakPolarHBondContact CA-OD1 3.42Å; L35-N113 HydrophobicContact CD1-CB 4.04Å; L35-N113 HydrophobicContact CG-CB 4.33Å; L35-N113 PolarHBondContact N-OD1 2.87Å; V109-N113 WeakPolarHBondContact O-CB 3.29Å; V109-N113 VanDerWaalsContact O-CG 3.26Å; V109-N113 PolarHBondContact O-N 3.13Å; S110-N113 PolarHBondContact O-N 3.25Å; W111-N113 VanDerWaalsContact C-N 3.34Å; W111-N113 PolarHBondContact O-N 3.38Å; N113-R117 WeakPolarHBondContact O-CG 3.37Å; N113-R117 PolarHBondContact O-N 2.95Å
114	L	90.9	Very high	94.1	Very high	6 Å²	6	4.7 Å²	4.7	3%	0.031	3%	0.026	C	C	.	.	H	α-helix	trans	-68.5	-44.4	178.7	-68.2	172.2	0	0	0	112.3	W90 S110 W111 I112 Q118 M424 Q427	W90-L114 HydrophobicContact CH2-CB 4.41Å; W90-L114 HydrophobicContact CZ2-CB 3.69Å; S110-L114 VanDerWaalsContact O-CG 3.29Å; S110-L114 WeakPolarHBondContact O-CG 3.43Å; S110-L114 PolarHBondContact O-N 3.15Å; S110-L114 VanDerWaalsContact O-N 3.14Å; W111-L114 PolarHBondContact O-N 3.27Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.47Å; L114-Q118 WeakPolarHBondContact O-CG 3.38Å; L114-M424 HydrophobicContact CD1-CE 3.39Å; L114-M424 HydrophobicContact CD1-SD 4.05Å; L114-Q427 HydrophobicContact CD1-CB 4.26Å; L114-Q427 HydrophobicContact CD2-CB 3.64Å; L114-Q427 HydrophobicContact CD2-CG 3.96Å; L114-Q427 WeakPolarHBondContact CD2-O 3.05Å
115	A	93.5	Very high	94.2	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63.8	-46.8	177.5	0	0	0	0	0	111.2	W90 W111 I112 R117 Q118 G119 V120 V122	W90-A115 HydrophobicContact CE3-CB 4.18Å; W90-A115 HydrophobicContact CH2-CB 3.83Å; W90-A115 HydrophobicContact CZ3-CB 3.5Å; W111-A115 WeakPolarHBondContact O-CB 3.37Å; W111-A115 PolarHBondContact O-N 2.92Å; I112-A115 PolarHBondContact O-N 3.45Å; A115-R117 PolarHBondContact O-N 3.34Å; A115-Q118 CarbonylContact O-C 3.58Å; A115-Q118 WeakPolarHBondContact O-CA 3.45Å; A115-Q118 PolarHBondContact O-N 3.32Å; A115-G119 PolarHBondContact O-N 3.45Å; A115-G119 VanDerWaalsContact O-N 3.12Å; A115-V120 CarbonylContact C-O 3.57Å; A115-V120 HydrophobicContact CB-CB 3.97Å; A115-V120 HydrophobicContact CB-CG1 4.27Å; A115-V120 WeakPolarHBondContact CB-O 3.42Å; A115-V120 PolarHBondContact O-N 2.93Å; A115-V122 HydrophobicContact CB-CG2 3.23Å
116	H	91.4	Very high	94.2	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.009	3%	0.026	C	C	.	.	H	α-helix	trans	-63.1	-41.5	-176.4	-77.4	-159.6	0	0	0	113	L35 L37 S38 I112 Q118 G119 G171 E173	L35-H116 PolarHBondContact O-ND1 3.08Å; L37-H116 HydrophobicContact CD1-CB 4.48Å; L37-H116 PolarHBondContact N-ND1 3.39Å; S38-H116 VanDerWaalsContact CB-O 3.24Å; S38-H116 WeakPolarHBondContact CB-O 3.38Å; S38-H116 PolarHBondContact N-O 3.3Å; S38-H116 PolarHBondContact OG-O 2.94Å; I112-H116 VanDerWaalsContact CG2-CE1 3.49Å; I112-H116 WeakPolarHBondContact CG2-CE1 3.23Å; I112-H116 VanDerWaalsContact O-CB 3.24Å; I112-H116 WeakPolarHBondContact O-CB 3.49Å; I112-H116 PolarHBondContact O-CD2 3.37Å; I112-H116 VanDerWaalsContact O-CG 3.24Å; I112-H116 PolarHBondContact O-N 3.5Å; H116-Q118 PolarHBondContact O-N 2.93Å; H116-G119 PolarHBondContact O-N 3.12Å; H116-G171 PolarHBondContact CE1-O 2.85Å; H116-E173 IonicContact CE1-OE1 2.78Å; H116-E173 PolarHBondContact CE1-OE1 3.38Å; H116-E173 IonicContact CE1-OE2 3.34Å; H116-E173 IonicContact NE2-OE1 3.14Å; H116-E173 PolarHBondContact NE2-OE1 3.48Å; H116-E173 IonicContact NE2-OE2 3.34Å; H116-E173 PolarHBondContact NE2-OE2 2.94Å; H116-E173 VanDerWaalsContact NE2-OE2 3.13Å
117	R	87	Confident	94.1	Very high	25 Å²	25	4.8 Å²	4.8	9%	0.094	3%	0.026	C	C	.	.	H	α-helix	trans	-57.5	-29.5	173.1	-72.3	171.4	-155.7	170.2	0.2	112.9	L35 N113 A115 L380 S425 Q427	L35-R117 HydrophobicContact CD1-CG 3.61Å; N113-R117 WeakPolarHBondContact O-CG 3.37Å; N113-R117 PolarHBondContact O-N 2.95Å; A115-R117 PolarHBondContact O-N 3.34Å; R117-L380 PolarHBondContact NH2-O 2.99Å; R117-S425 PolarHBondContact NH2-O 2.81Å; R117-Q427 PolarHBondContact NH1-O 2.91Å
118	Q	87.7	Confident	94	Very high	6 Å²	6	4.9 Å²	4.9	3%	0.028	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11	-178.1	-61.7	-85.1	17.3	0	0	111.6	W90 L114 A115 H116 V120 K369 T371	W90-Q118 HydrophobicContact CB-CB 3.5Å; W90-Q118 VanDerWaalsContact CB-CB 3.5Å; W90-Q118 HydrophobicContact CB-CG 3.54Å; W90-Q118 HydrophobicContact CD2-CG 4.43Å; W90-Q118 HydrophobicContact CG-CB 3.97Å; W90-Q118 HydrophobicContact CG-CG 3.67Å; L114-Q118 WeakPolarHBondContact O-CG 3.38Å; A115-Q118 CarbonylContact O-C 3.58Å; A115-Q118 WeakPolarHBondContact O-CA 3.45Å; A115-Q118 PolarHBondContact O-N 3.32Å; H116-Q118 PolarHBondContact O-N 2.93Å; Q118-V120 VanDerWaalsContact C-N 3.28Å; Q118-V120 HydrophobicContact CB-CG2 4.49Å; Q118-V120 PolarHBondContact O-N 3.01Å; Q118-K369 WeakPolarHBondContact O-CE 3.49Å; Q118-K369 PolarHBondContact O-NZ 3.28Å; Q118-T371 PolarHBondContact OE1-O 2.94Å; Q118-T371 VanDerWaalsContact OE1-O 3.13Å
119	G	90.3	Very high	93.9	Very high	4 Å²	4	9.5 Å²	9.5	4%	0.041	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	28.1	-177.8	0	0	0	0	0	114.7	S38 F40 A115 H116 K369	S38-G119 WeakPolarHBondContact O-CA 3.09Å; F40-G119 WeakPolarHBondContact CE1-O 3.37Å; A115-G119 PolarHBondContact O-N 3.45Å; A115-G119 VanDerWaalsContact O-N 3.12Å; H116-G119 PolarHBondContact O-N 3.12Å; G119-K369 PolarHBondContact O-NZ 2.82Å
120	V	94.9	Very high	93.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.			trans	-96.6	123.7	176.7	176.3	0	0	0	0	109.3	L37 W90 V93 F96 A115 Q118	L37-V120 WeakPolarHBondContact CD1-O 3.48Å; W90-V120 HydrophobicContact CB-CG2 4.48Å; W90-V120 HydrophobicContact CE3-CB 4.11Å; W90-V120 HydrophobicContact CE3-CG1 4.28Å; W90-V120 HydrophobicContact CE3-CG2 3.93Å; W90-V120 HydrophobicContact CZ3-CB 4.41Å; W90-V120 HydrophobicContact CZ3-CG1 4.26Å; V93-V120 HydrophobicContact CG2-CG1 4.12Å; V93-V120 HydrophobicContact CG2-CG2 3.96Å; V93-V120 WeakPolarHBondContact O-CG2 3.17Å; F96-V120 HydrophobicContact CB-CG1 3.71Å; A115-V120 CarbonylContact C-O 3.57Å; A115-V120 HydrophobicContact CB-CB 3.97Å; A115-V120 HydrophobicContact CB-CG1 4.27Å; A115-V120 WeakPolarHBondContact CB-O 3.42Å; A115-V120 PolarHBondContact O-N 2.93Å; Q118-V120 VanDerWaalsContact C-N 3.28Å; Q118-V120 HydrophobicContact CB-CG2 4.49Å; Q118-V120 PolarHBondContact O-N 3.01Å
121	S	96.8	Very high	93.2	Very high	22 Å²	22	13.2 Å²	13.2	15%	0.154	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	141.3	174.2	-61.2	0	0	0	0	110.6	D94 I95 F96 E173	D94-S121 PolarHBondContact O-N 3.09Å; I95-S121 CarbonylContact C-O 3.46Å; I95-S121 WeakPolarHBondContact CA-O 3.13Å; F96-S121 PolarHBondContact N-O 3.47Å; S121-E173 WeakPolarHBondContact CA-OE2 3.43Å
122	V	98.4	Very high	92.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129	-177.8	-180	0	0	0	0	111.5	F96 P107 I112 A115 F172 E173	F96-V122 HydrophobicContact CB-CG2 4.46Å; F96-V122 HydrophobicContact CD1-CG1 4.19Å; F96-V122 HydrophobicContact CD1-CG2 4.36Å; F96-V122 CarbonylContact O-C 3.54Å; F96-V122 VanDerWaalsContact O-CA 3.3Å; F96-V122 WeakPolarHBondContact O-CA 3.42Å; P107-V122 HydrophobicContact CB-CG1 3.7Å; P107-V122 HydrophobicContact CG-CG1 3.75Å; I112-V122 HydrophobicContact CG1-CB 4.5Å; I112-V122 HydrophobicContact CG1-CG1 4.04Å; A115-V122 HydrophobicContact CB-CG2 3.23Å; V122-F172 HydrophobicContact CB-CB 4.25Å; V122-F172 HydrophobicContact CG1-CB 4.41Å; V122-F172 WeakPolarHBondContact O-CB 3.27Å; V122-E173 PolarHBondContact N-OE2 3.18Å; V122-E173 PolarHBondContact O-N 3.06Å
123	Y	98.7	Very high	91.8	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.8	174.4	-57.1	-12	0	0	0	111.8	I95 F96 I97 Y98 E173 G174 E208 I210	I95-Y123 HydrophobicContact CD1-CE2 4.25Å; I95-Y123 HydrophobicContact CG2-CD1 4.42Å; I95-Y123 HydrophobicContact CG2-CD2 3.76Å; I95-Y123 HydrophobicContact CG2-CE1 4.24Å; I95-Y123 HydrophobicContact CG2-CE2 3.58Å; I95-Y123 HydrophobicContact CG2-CG 4.16Å; F96-Y123 PolarHBondContact O-N 3.4Å; I97-Y123 HydrophobicContact CG1-CD2 4.18Å; Y98-Y123 PolarHBondContact N-O 3.28Å; Y123-E173 HydrophobicContact CD1-CB 4.23Å; Y123-E173 HydrophobicContact CE1-CB 3.92Å; Y123-G174 WeakPolarHBondContact CA-O 3.25Å; Y123-G174 WeakPolarHBondContact CB-O 3.34Å; Y123-E208 HydrophobicContact CE1-CB 3.76Å; Y123-E208 VanDerWaalsContact CE1-OE2 3.24Å; Y123-E208 WeakPolarHBondContact CE1-OE2 3.28Å; Y123-E208 WeakPolarHBondContact OH-CB 3.29Å; Y123-E208 PolarHBondContact OH-OE2 2.64Å; Y123-I210 HydrophobicContact CD2-CD1 4.2Å; Y123-I210 HydrophobicContact CD2-CG1 4.39Å; Y123-I210 HydrophobicContact CE2-CD1 3.59Å; Y123-I210 HydrophobicContact CE2-CG1 3.82Å
124	G	98.6	Very high	91.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	175.4	161.2	0	0	0	0	0	111.6	T105 G174 W175 F176	T105-G124 WeakPolarHBondContact O-CA 3.35Å; G124-G174 PolarHBondContact N-O 3.35Å; G124-W175 WeakPolarHBondContact O-CA 3.46Å; G124-F176 PolarHBondContact O-N 3.1Å
125	T	98.6	Very high	91	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.2	177.8	-58	0	0	0	0	110.5	Y98 F99 I104 T105 I127 F176	Y98-T125 PolarHBondContact O-OG1 2.83Å; F99-T125 HydrophobicContact CD2-CG2 3.9Å; F99-T125 HydrophobicContact CE2-CG2 4.08Å; I104-T125 WeakPolarHBondContact CA-O 3.45Å; T105-T125 PolarHBondContact N-O 2.79Å; T105-T125 PolarHBondContact O-N 3.36Å; T125-I127 HydrophobicContact CG2-CB 4.41Å; T125-F176 CarbonylContact C-O 3.59Å; T125-F176 WeakPolarHBondContact CA-O 3.45Å; T125-F176 HydrophobicContact CG2-CD1 3.79Å; T125-F176 HydrophobicContact CG2-CE1 4.48Å
126	V	98.1	Very high	90.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.4	164.2	-176.5	0	0	0	0	107.3	F103 I104 F159 L163 W175 F176 I177 N178 F179	F103-V126 HydrophobicContact CE2-CG1 4.39Å; F103-V126 WeakPolarHBondContact O-CA 3.32Å; I104-V126 HydrophobicContact CG2-CG2 4.49Å; V126-F159 HydrophobicContact CG1-CE1 4.1Å; V126-F159 HydrophobicContact CG1-CZ 3.78Å; V126-L163 HydrophobicContact CG2-CD1 3.85Å; V126-L163 HydrophobicContact CG2-CD2 4.03Å; V126-W175 HydrophobicContact CG2-CD2 4.28Å; V126-W175 HydrophobicContact CG2-CE3 3.77Å; V126-W175 HydrophobicContact CG2-CZ3 4.19Å; V126-F176 PolarHBondContact N-O 3.07Å; V126-I177 HydrophobicContact CB-CD1 3.85Å; V126-I177 HydrophobicContact CG2-CD1 3.95Å; V126-N178 PolarHBondContact O-N 2.91Å; V126-F179 HydrophobicContact CG1-CE1 4.04Å
127	I	96.1	Very high	90.5	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.1	-176.5	-162.6	172.9	0	0	0	111.4	F99 Q102 F103 T125 E129 N178	F99-I127 HydrophobicContact CE2-CD1 4.48Å; F99-I127 HydrophobicContact CZ-CD1 4.11Å; Q102-I127 WeakPolarHBondContact O-CG2 3.4Å; F103-I127 WeakPolarHBondContact CD2-O 3.37Å; F103-I127 PolarHBondContact O-N 3.2Å; T125-I127 HydrophobicContact CG2-CB 4.41Å; I127-E129 HydrophobicContact CD1-CG 3.81Å; I127-E129 HydrophobicContact CG1-CG 3.88Å; I127-N178 CarbonylContact C-O 3.59Å; I127-N178 VanDerWaalsContact CA-O 3.25Å; I127-N178 WeakPolarHBondContact CA-O 3.33Å; I127-N178 HydrophobicContact CG1-CB 4.1Å; I127-N178 WeakPolarHBondContact CG1-O 3.33Å
128	M	95.2	Very high	90.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	113.5	169.8	-66	-177.2	171	0	0	108.1	F103 F136 I139 F140 N178 F179 E180 I181	F103-M128 HydrophobicContact CE2-CE 3.64Å; F103-M128 HydrophobicContact CE2-CG 4.43Å; F103-M128 HydrophobicContact CZ-CE 4.28Å; M128-F136 HydrophobicContact CE-CB 4.37Å; M128-F136 HydrophobicContact SD-CB 3.83Å; M128-F136 HydrophobicContact SD-CD2 3.72Å; M128-F136 HydrophobicContact SD-CG 4.27Å; M128-I139 HydrophobicContact CE-CD1 4.3Å; M128-F140 HydrophobicContact CE-CD2 3.93Å; M128-F140 HydrophobicContact CE-CE2 3.58Å; M128-F140 HydrophobicContact SD-CD2 4.12Å; M128-F140 HydrophobicContact SD-CE2 3.97Å; M128-N178 PolarHBondContact N-O 2.8Å; M128-F179 HydrophobicContact CB-CD1 3.9Å; M128-F179 HydrophobicContact CB-CE1 4.31Å; M128-F179 HydrophobicContact CB-CG 4.31Å; M128-F179 HydrophobicContact CE-CE1 4.26Å; M128-F179 HydrophobicContact CE-CZ 4Å; M128-F179 HydrophobicContact CG-CD1 3.86Å; M128-F179 HydrophobicContact CG-CE1 3.74Å; M128-F179 HydrophobicContact CG-CZ 4.28Å; M128-F179 HydrophobicContact SD-CD1 4.07Å; M128-F179 HydrophobicContact SD-CD2 4.24Å; M128-F179 HydrophobicContact SD-CE1 3.7Å; M128-F179 HydrophobicContact SD-CE2 3.88Å; M128-F179 HydrophobicContact SD-CG 4.36Å; M128-F179 HydrophobicContact SD-CZ 3.61Å; M128-E180 CarbonylContact O-C 3.55Å; M128-E180 PolarHBondContact O-N 2.94Å; M128-I181 HydrophobicContact CB-CG2 4.21Å; M128-I181 WeakPolarHBondContact O-CG2 3.3Å
129	E	91.7	Very high	90.7	Very high	98 Å²	98	29.9 Å²	29.9	46%	0.458	16%	0.162	S	C	.	.			trans	-105.7	-7.9	-176.5	-61.1	174.3	130.8	0	0	112.7	H101 I127	H101-E129 IonicContact CE1-OE1 2.73Å; H101-E129 IonicContact CG-OE1 2.92Å; H101-E129 IonicContact ND1-OE1 3.75Å; H101-E129 PolarHBondContact ND1-OE1 2.96Å; I127-E129 HydrophobicContact CD1-CG 3.81Å; I127-E129 HydrophobicContact CG1-CG 3.88Å
130	S	86.7	Confident	90.8	Very high	47 Å²	47	29.7 Å²	29.7	33%	0.329	16%	0.16	S	C	.	.			trans	-149.2	143.1	175	176.2	0	0	0	0	110.4	E132 C133	S130-E132 PolarHBondContact O-N 2.81Å; S130-E132 WeakPolarHBondContact OG-CB 3.45Å; S130-E132 PolarHBondContact OG-N 3.04Å; S130-C133 PolarHBondContact O-N 2.64Å; S130-C133 PolarHBondContact O-SG 2.73Å
131	V	82.7	Confident	90.3	Very high	38 Å²	38	31.2 Å²	31.2	23%	0.23	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.8	170.3	-66.8	0	0	0	0	112.4	C133 F136 Q137 I181 A182	V131-C133 PolarHBondContact O-N 3.16Å; V131-F136 HydrophobicContact CB-CD1 3.85Å; V131-F136 HydrophobicContact CB-CE1 3.89Å; V131-F136 HydrophobicContact CG1-CD1 4.01Å; V131-F136 HydrophobicContact CG1-CE1 3.68Å; V131-F136 HydrophobicContact CG1-CZ 4.19Å; V131-Q137 WeakPolarHBondContact O-CG 3.43Å; V131-Q137 PolarHBondContact O-NE2 2.99Å; V131-I181 HydrophobicContact CG1-CB 3.9Å; V131-I181 HydrophobicContact CG1-CD1 4.46Å; V131-I181 HydrophobicContact CG1-CG2 4.23Å; V131-A182 WeakPolarHBondContact CG1-O 3.46Å
132	E	79.2	Confident	89.2	Confident	157 Å²	157	33.4 Å²	33.4	73%	0.734	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-9.6	178.3	-61.3	177.2	172.6	0	0	112.6	S130 D134	S130-E132 PolarHBondContact O-N 2.81Å; S130-E132 WeakPolarHBondContact OG-CB 3.45Å; S130-E132 PolarHBondContact OG-N 3.04Å; E132-D134 PolarHBondContact O-N 2.67Å
133	C	81.3	Confident	87.1	Confident	40 Å²	40	37.3 Å²	37.3	27%	0.27	20%	0.204	S	C	.	.	S	Bend	trans	-66.3	137.3	177.7	79.9	0	0	0	0	110.7	S130 V131 G135 F136 Q137	S130-C133 PolarHBondContact O-N 2.64Å; S130-C133 PolarHBondContact O-SG 2.73Å; V131-C133 PolarHBondContact O-N 3.16Å; C133-G135 PolarHBondContact O-N 3.23Å; C133-G135 VanDerWaalsContact O-N 3.1Å; C133-F136 PolarHBondContact O-N 2.79Å; C133-F136 PolarHBondContact SG-N 2.92Å; C133-F136 VanDerWaalsContact SG-N 3.4Å; C133-Q137 PolarHBondContact O-N 3.46Å
134	D	79.3	Confident	84.9	Confident	114 Å²	114	40 Å²	40	61%	0.61	22%	0.224	S	C	*	.	H	α-helix	trans	-52.8	-37.4	-179	-72.7	-19.9	0	0	0	111.7	E132 F136 Q137 V138	E132-D134 PolarHBondContact O-N 2.67Å; D134-F136 PolarHBondContact O-N 3.31Å; D134-Q137 PolarHBondContact O-N 3.33Å; D134-V138 VanDerWaalsContact O-CB 3.28Å; D134-V138 WeakPolarHBondContact O-CB 3.4Å; D134-V138 VanDerWaalsContact O-CG2 3.22Å; D134-V138 WeakPolarHBondContact O-CG2 3.46Å; D134-V138 PolarHBondContact O-N 3.05Å
135	G	84	Confident	82.6	Confident	5 Å²	5	48.7 Å²	48.7	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-57.1	-51.3	177.3	0	0	0	0	0	112.9	C133 I139	C133-G135 PolarHBondContact O-N 3.23Å; C133-G135 VanDerWaalsContact O-N 3.1Å; G135-I139 WeakPolarHBondContact O-CB 3.35Å; G135-I139 VanDerWaalsContact O-CD1 3.27Å; G135-I139 WeakPolarHBondContact O-CD1 3.37Å; G135-I139 WeakPolarHBondContact O-CG1 3.46Å; G135-I139 PolarHBondContact O-N 3.14Å
136	F	89.5	Confident	80	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-44.7	-179.5	-178.9	-100.2	0	0	0	112.2	M128 V131 C133 D134 F140 M141 I181 L183 I191	M128-F136 HydrophobicContact CE-CB 4.37Å; M128-F136 HydrophobicContact SD-CB 3.83Å; M128-F136 HydrophobicContact SD-CD2 3.72Å; M128-F136 HydrophobicContact SD-CG 4.27Å; V131-F136 HydrophobicContact CB-CD1 3.85Å; V131-F136 HydrophobicContact CB-CE1 3.89Å; V131-F136 HydrophobicContact CG1-CD1 4.01Å; V131-F136 HydrophobicContact CG1-CE1 3.68Å; V131-F136 HydrophobicContact CG1-CZ 4.19Å; C133-F136 PolarHBondContact O-N 2.79Å; C133-F136 PolarHBondContact SG-N 2.92Å; C133-F136 VanDerWaalsContact SG-N 3.4Å; D134-F136 PolarHBondContact O-N 3.31Å; F136-F140 HydrophobicContact CD2-CB 4.05Å; F136-F140 AromaticContact CD2-CD2 3.79Å; F136-F140 HydrophobicContact CD2-CD2 3.79Å; F136-F140 HydrophobicContact CD2-CG 4.31Å; F136-F140 HydrophobicContact CE2-CB 3.91Å; F136-F140 HydrophobicContact CE2-CD2 4.22Å; F136-F140 HydrophobicContact CE2-CG 4.34Å; F136-F140 HydrophobicContact CZ-CB 4.47Å; F136-F140 PolarHBondContact O-N 3.22Å; F136-M141 HydrophobicContact CD1-CG 4.06Å; F136-M141 HydrophobicContact CD1-SD 4.14Å; F136-M141 HydrophobicContact CE1-CG 3.61Å; F136-M141 HydrophobicContact CE1-SD 3.71Å; F136-M141 HydrophobicContact CZ-CG 4.33Å; F136-M141 PolarHBondContact O-N 2.96Å; F136-I181 HydrophobicContact CD2-CD1 3.34Å; F136-I181 HydrophobicContact CE2-CD1 3.14Å; F136-I181 HydrophobicContact CG-CD1 4.15Å; F136-I181 HydrophobicContact CZ-CD1 3.78Å; F136-L183 HydrophobicContact CE2-CD2 4.09Å; F136-L183 HydrophobicContact CZ-CD2 3.74Å; F136-I191 HydrophobicContact CE2-CG2 4.02Å; F136-I191 HydrophobicContact CZ-CD1 4.22Å; F136-I191 HydrophobicContact CZ-CG2 3.86Å
137	Q	86.7	Confident	77.4	Confident	59 Å²	59	65.2 Å²	65.2	28%	0.276	34%	0.335	S	S	.	.	I	π-helix	trans	-59.8	-49.4	-179.6	-70.3	-63.5	-28.9	0	0	111.7	V131 C133 D134 M141 N142	V131-Q137 WeakPolarHBondContact O-CG 3.43Å; V131-Q137 PolarHBondContact O-NE2 2.99Å; C133-Q137 PolarHBondContact O-N 3.46Å; D134-Q137 PolarHBondContact O-N 3.33Å; Q137-M141 PolarHBondContact NE2-SD 3.16Å; Q137-M141 WeakPolarHBondContact O-CB 3.43Å; Q137-M141 PolarHBondContact O-N 3.46Å; Q137-M141 PolarHBondContact OE1-SD 3.2Å; Q137-N142 PolarHBondContact O-N 2.71Å; Q137-N142 VanDerWaalsContact O-N 3.13Å
138	V	86.5	Confident	74.9	Confident	30 Å²	30	76.6 Å²	76.6	18%	0.182	38%	0.378	C	S	.	.	I	π-helix	trans	-68.1	-49.7	-178.6	173.8	0	0	0	0	111.1	D134 L154	D134-V138 VanDerWaalsContact O-CB 3.28Å; D134-V138 WeakPolarHBondContact O-CB 3.4Å; D134-V138 VanDerWaalsContact O-CG2 3.22Å; D134-V138 WeakPolarHBondContact O-CG2 3.46Å; D134-V138 PolarHBondContact O-N 3.05Å; V138-L154 HydrophobicContact CG1-CB 4.09Å; V138-L154 WeakPolarHBondContact CG1-O 3.21Å
139	I	91	Very high	72.8	Confident	2 Å²	2	80 Å²	80	1%	0.01	40%	0.396	C	S	.	.	I	π-helix	trans	-76.9	-42.3	-169.2	-63.8	166	0	0	0	112.3	I19 F103 M128 G135 L154 Y156 F159	I19-I139 HydrophobicContact CD1-CD1 3.79Å; I19-I139 HydrophobicContact CD1-CG1 4.14Å; F103-I139 HydrophobicContact CZ-CD1 3.78Å; M128-I139 HydrophobicContact CE-CD1 4.3Å; G135-I139 WeakPolarHBondContact O-CB 3.35Å; G135-I139 VanDerWaalsContact O-CD1 3.27Å; G135-I139 WeakPolarHBondContact O-CD1 3.37Å; G135-I139 WeakPolarHBondContact O-CG1 3.46Å; G135-I139 PolarHBondContact O-N 3.14Å; I139-L154 HydrophobicContact CD1-CD2 4.4Å; I139-L154 HydrophobicContact CG1-CD2 4.05Å; I139-Y156 PolarHBondContact O-N 3.07Å; I139-F159 HydrophobicContact CD1-CB 4.18Å; I139-F159 HydrophobicContact CD1-CD1 3.69Å; I139-F159 HydrophobicContact CD1-CD2 3.69Å; I139-F159 HydrophobicContact CD1-CE1 3.88Å; I139-F159 HydrophobicContact CD1-CE2 3.91Å; I139-F159 HydrophobicContact CD1-CG 3.58Å; I139-F159 HydrophobicContact CD1-CZ 3.99Å; I139-F159 HydrophobicContact CG1-CB 4.25Å; I139-F159 HydrophobicContact CG1-CD1 4.44Å; I139-F159 HydrophobicContact CG1-CG 4.19Å; I139-F159 HydrophobicContact CG2-CB 3.85Å; I139-F159 HydrophobicContact CG2-CD1 3.74Å; I139-F159 HydrophobicContact CG2-CG 4.01Å
140	F	91.9	Very high	70.7	Confident	0 Å²	0	81 Å²	81	0%	0	41%	0.409	C	S	.	.	I	π-helix	trans	-114.4	-28.7	-167.1	-65.9	-68.4	0	0	0	114.6	M128 F136 F179 I191 R194 I195 F198	M128-F140 HydrophobicContact CE-CD2 3.93Å; M128-F140 HydrophobicContact CE-CE2 3.58Å; M128-F140 HydrophobicContact SD-CD2 4.12Å; M128-F140 HydrophobicContact SD-CE2 3.97Å; F136-F140 HydrophobicContact CD2-CB 4.05Å; F136-F140 AromaticContact CD2-CD2 3.79Å; F136-F140 HydrophobicContact CD2-CD2 3.79Å; F136-F140 HydrophobicContact CD2-CG 4.31Å; F136-F140 HydrophobicContact CE2-CB 3.91Å; F136-F140 HydrophobicContact CE2-CD2 4.22Å; F136-F140 HydrophobicContact CE2-CG 4.34Å; F136-F140 HydrophobicContact CZ-CB 4.47Å; F136-F140 PolarHBondContact O-N 3.22Å; F140-F179 HydrophobicContact CD2-CE2 4.41Å; F140-F179 AromaticContact CE2-CE2 3.6Å; F140-F179 HydrophobicContact CE2-CE2 3.6Å; F140-F179 AromaticContact CE2-CZ 3.7Å; F140-F179 HydrophobicContact CE2-CZ 3.7Å; F140-F179 AromaticContact CZ-CE2 3.81Å; F140-F179 HydrophobicContact CZ-CE2 3.81Å; F140-F179 AromaticContact CZ-CZ 3.99Å; F140-F179 HydrophobicContact CZ-CZ 3.99Å; F140-I191 HydrophobicContact CB-CG2 4.25Å; F140-R194 HydrophobicContact CD1-CB 4.16Å; F140-R194 WeakPolarHBondContact O-CD 3.47Å; F140-R194 PolarHBondContact O-NH1 3.29Å; F140-I195 HydrophobicContact CD1-CG1 3.85Å; F140-I195 HydrophobicContact CE1-CB 4.48Å; F140-I195 HydrophobicContact CE1-CG1 3.82Å; F140-I195 HydrophobicContact CG-CG1 4.36Å; F140-I195 HydrophobicContact CZ-CG1 4.3Å; F140-F198 HydrophobicContact CE1-CB 3.97Å; F140-F198 HydrophobicContact CE1-CD1 4.41Å; F140-F198 HydrophobicContact CE1-CG 4.15Å; F140-F198 HydrophobicContact CZ-CB 4.34Å; F140-F198 AromaticContact CZ-CD1 3.97Å; F140-F198 HydrophobicContact CZ-CD1 3.97Å; F140-F198 HydrophobicContact CZ-CD2 4.47Å; F140-F198 HydrophobicContact CZ-CE1 4.4Å; F140-F198 HydrophobicContact CZ-CG 4Å
141	M	86.2	Confident	68.9	Low	32 Å²	32	85.1 Å²	85.1	16%	0.158	43%	0.427	C	S	.	.	I	π-helix	trans	-88.3	-39.7	-179.4	-76.2	-165.6	42.1	0	0	114.2	F136 Q137 S143 P184 I191 R194	F136-M141 HydrophobicContact CD1-CG 4.06Å; F136-M141 HydrophobicContact CD1-SD 4.14Å; F136-M141 HydrophobicContact CE1-CG 3.61Å; F136-M141 HydrophobicContact CE1-SD 3.71Å; F136-M141 HydrophobicContact CZ-CG 4.33Å; F136-M141 PolarHBondContact O-N 2.96Å; Q137-M141 PolarHBondContact NE2-SD 3.16Å; Q137-M141 WeakPolarHBondContact O-CB 3.43Å; Q137-M141 PolarHBondContact O-N 3.46Å; Q137-M141 PolarHBondContact OE1-SD 3.2Å; M141-S143 PolarHBondContact O-N 3.19Å; M141-P184 HydrophobicContact SD-CG 4.03Å; M141-I191 HydrophobicContact CG-CD1 3.99Å; M141-R194 PolarHBondContact O-NH1 2.71Å
142	N	71.9	Confident	67.6	Low	68 Å²	68	90.2 Å²	90.2	36%	0.364	45%	0.446	S	S	.	.			trans	-61.3	128.2	-175.4	-75	-17.8	0	0	0	111.7	Q137 S144 R194	Q137-N142 PolarHBondContact O-N 2.71Å; Q137-N142 VanDerWaalsContact O-N 3.13Å; N142-S144 PolarHBondContact O-N 3.05Å; N142-R194 PolarHBondContact O-NH1 2.93Å; N142-R194 PolarHBondContact O-NH2 3.27Å
143	S	55.2	Low	66.8	Low	81 Å²	81	86 Å²	86	57%	0.566	43%	0.431	S	S	*	.			trans	-85.3	85	165.6	51.7	0	0	0	0	107.1	M141 E145 H146	M141-S143 PolarHBondContact O-N 3.19Å; S143-E145 PolarHBondContact O-N 3.29Å; S143-H146 PolarHBondContact O-N 3.23Å
144	S	52.5	Low	66.6	Low	62 Å²	62	85.4 Å²	85.4	43%	0.434	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	31.2	-176.6	59	0	0	0	0	114.6	N142	N142-S144 PolarHBondContact O-N 3.05Å
145	E	49.5	Very low	67	Low	182 Å²	182	81.6 Å²	81.6	85%	0.85	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-12.9	161.1	-75.1	-176.2	179.5	0	0	112.4	S143	S143-E145 PolarHBondContact O-N 3.29Å
146	H	44.8	Very low	67.5	Low	167 Å²	167	83.1 Å²	83.1	77%	0.773	41%	0.409	S	S	*	.	S	Bend	trans	-128	-3.6	-173.5	-86.9	33.6	0	0	0	117.3	S143	S143-H146 PolarHBondContact O-N 3.23Å
147	Y	43.7	Very low	67.7	Low	179 Å²	179	88.2 Å²	88.2	70%	0.702	43%	0.431	S	S	*	.			trans	-100.9	101.6	172.4	-101.8	-96.6	0	0	0	110.4	D149	Y147-D149 VanDerWaalsContact C-N 3.26Å; Y147-D149 PolarHBondContact O-N 2.71Å
148	R	43.5	Very low	67.9	Low	245 Å²	245	88.6 Å²	88.6	93%	0.925	44%	0.435	S	S	*	.			trans	-88.3	29.5	176	-69.3	-174.2	179	178.2	0.1	113.1	V150	R148-V150 PolarHBondContact O-N 3.27Å
149	D	51	Low	68.3	Low	74 Å²	74	87.1 Å²	87.1	40%	0.396	43%	0.427	S	S	.	.			trans	-82.9	100.4	168	-164.3	-5.7	0	0	0	107.1	Y147 N151 K152 T153	Y147-D149 VanDerWaalsContact C-N 3.26Å; Y147-D149 PolarHBondContact O-N 2.71Å; D149-N151 PolarHBondContact O-N 3.12Å; D149-K152 HydrophobicContact CB-CB 4.3Å; D149-K152 PolarHBondContact O-N 3.45Å; D149-T153 WeakPolarHBondContact O-CG2 3.46Å
150	V	48	Very low	68.6	Low	119 Å²	119	87 Å²	87	72%	0.721	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.1	-172	-174.2	0	0	0	0	111.7	R148 T153	R148-V150 PolarHBondContact O-N 3.27Å; V150-T153 PolarHBondContact O-OG1 3.17Å
151	N	49.4	Very low	68.8	Low	134 Å²	134	89.6 Å²	89.6	72%	0.717	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.2	178.9	-65.2	-15.1	0	0	0	114.5	D149	D149-N151 PolarHBondContact O-N 3.12Å
152	K	54.5	Low	69.2	Low	144 Å²	144	90.4 Å²	90.4	63%	0.626	44%	0.443	S	S	*	.	S	Bend	trans	-128.8	26.1	-178.3	-67.3	-174.4	177.5	179.1	0	114.1	D149 L154	D149-K152 HydrophobicContact CB-CB 4.3Å; D149-K152 PolarHBondContact O-N 3.45Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 3.17Å
153	T	61.9	Low	70.5	Confident	69 Å²	69	87.1 Å²	87.1	42%	0.423	43%	0.426	S	S	.	.			trans	-86.4	9.3	-174.2	47.3	0	0	0	0	115.2	D149 V150 N155	D149-T153 WeakPolarHBondContact O-CG2 3.46Å; V150-T153 PolarHBondContact O-OG1 3.17Å; T153-N155 PolarHBondContact O-N 2.8Å; T153-N155 VanDerWaalsContact O-N 3.09Å
154	L	78.2	Confident	72.4	Confident	28 Å²	28	83.9 Å²	83.9	15%	0.147	40%	0.402	C	S	.	.			trans	-65.2	112.4	-177.4	-163.9	82.5	0	0	0	110.9	I19 L22 V138 I139 K152 D158	I19-L154 HydrophobicContact CD1-CD2 3.81Å; I19-L154 HydrophobicContact CG2-CD2 4.3Å; L22-L154 HydrophobicContact CD2-CD2 3.96Å; V138-L154 HydrophobicContact CG1-CB 4.09Å; V138-L154 WeakPolarHBondContact CG1-O 3.21Å; I139-L154 HydrophobicContact CD1-CD2 4.4Å; I139-L154 HydrophobicContact CG1-CD2 4.05Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 3.17Å; L154-D158 HydrophobicContact CD1-CB 3.43Å; L154-D158 VanDerWaalsContact CD1-CB 3.43Å; L154-D158 HydrophobicContact CG-CB 4.11Å
155	N	87.9	Confident	74.5	Confident	34 Å²	34	85.3 Å²	85.3	18%	0.182	40%	0.402	C	S	.	.			trans	-108	179	170.9	67.5	65.8	0	0	0	111.1	T153 K157 D158 F159	T153-N155 PolarHBondContact O-N 2.8Å; T153-N155 VanDerWaalsContact O-N 3.09Å; N155-K157 PolarHBondContact O-N 3.41Å; N155-K157 VanDerWaalsContact O-N 3.1Å; N155-K157 WeakPolarHBondContact OD1-CA 3.26Å; N155-K157 WeakPolarHBondContact OD1-CB 3.18Å; N155-K157 PolarHBondContact OD1-N 3.4Å; N155-D158 PolarHBondContact N-OD2 2.74Å; N155-D158 PolarHBondContact ND2-OD2 3.18Å; N155-D158 PolarHBondContact O-N 3.32Å; N155-D158 VanDerWaalsContact O-N 3.12Å; N155-D158 PolarHBondContact OD1-N 2.95Å; N155-D158 PolarHBondContact OD1-OD2 2.88Å; N155-F159 WeakPolarHBondContact O-CB 3.16Å; N155-F159 PolarHBondContact O-N 3.39Å
156	Y	92.9	Very high	76.7	Confident	36 Å²	36	76.6 Å²	76.6	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-56	-26.6	179.9	74.5	-94.2	0	0	0	115.3	I139 A160 R194 K197 F198	I139-Y156 PolarHBondContact O-N 3.07Å; Y156-A160 WeakPolarHBondContact O-CB 3.49Å; Y156-A160 PolarHBondContact O-N 3.4Å; Y156-A160 VanDerWaalsContact O-N 3.08Å; Y156-R194 HydrophobicContact CD1-CB 3.99Å; Y156-R194 HydrophobicContact CD1-CG 3.94Å; Y156-R194 HydrophobicContact CE1-CB 4.29Å; Y156-R194 HydrophobicContact CE1-CG 3.9Å; Y156-R194 HydrophobicContact CG-CB 4.45Å; Y156-K197 HydrophobicContact CD2-CB 4.37Å; Y156-K197 HydrophobicContact CE2-CB 3.69Å; Y156-F198 HydrophobicContact CD2-CB 4.18Å; Y156-F198 WeakPolarHBondContact O-CD2 3.29Å
157	K	93.6	Very high	79.1	Confident	108 Å²	108	69.9 Å²	69.9	47%	0.47	33%	0.329	S	S	.	.	H	α-helix	trans	-75.7	-44.6	175.9	-58.1	179.3	179.9	175.6	0	111.5	N155 F159 A160 T161 M201	N155-K157 PolarHBondContact O-N 3.41Å; N155-K157 VanDerWaalsContact O-N 3.1Å; N155-K157 WeakPolarHBondContact OD1-CA 3.26Å; N155-K157 WeakPolarHBondContact OD1-CB 3.18Å; N155-K157 PolarHBondContact OD1-N 3.4Å; K157-F159 VanDerWaalsContact C-N 3.26Å; K157-F159 PolarHBondContact O-N 2.89Å; K157-A160 PolarHBondContact O-N 2.8Å; K157-T161 WeakPolarHBondContact O-CB 3.31Å; K157-T161 PolarHBondContact O-N 3.13Å; K157-T161 PolarHBondContact O-OG1 2.87Å; K157-M201 HydrophobicContact CB-CE 4.04Å; K157-M201 HydrophobicContact CB-SD 3.81Å; K157-M201 HydrophobicContact CG-SD 4Å; K157-M201 WeakPolarHBondContact O-CE 3.47Å
158	D	92.7	Very high	81.5	Confident	66 Å²	66	68.4 Å²	68.4	35%	0.353	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-39.3	176.9	-51.7	-50.3	0	0	0	109.6	L154 N155 T161 R162	L154-D158 HydrophobicContact CD1-CB 3.43Å; L154-D158 VanDerWaalsContact CD1-CB 3.43Å; L154-D158 HydrophobicContact CG-CB 4.11Å; N155-D158 PolarHBondContact N-OD2 2.74Å; N155-D158 PolarHBondContact ND2-OD2 3.18Å; N155-D158 PolarHBondContact O-N 3.32Å; N155-D158 VanDerWaalsContact O-N 3.12Å; N155-D158 PolarHBondContact OD1-N 2.95Å; N155-D158 PolarHBondContact OD1-OD2 2.88Å; D158-T161 PolarHBondContact O-N 3.38Å; D158-R162 WeakPolarHBondContact O-CB 3.2Å; D158-R162 PolarHBondContact O-N 2.93Å
159	F	95	Very high	83.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-49.7	174.7	-174.8	-133.2	0	0	0	112.6	L22 F103 I104 V126 I139 N155 K157 T161 R162 L163 F198	L22-F159 HydrophobicContact CD2-CD2 3.68Å; L22-F159 HydrophobicContact CD2-CE2 3.76Å; F103-F159 HydrophobicContact CE2-CZ 4.29Å; F103-F159 HydrophobicContact CZ-CE2 4.11Å; F103-F159 AromaticContact CZ-CZ 3.95Å; F103-F159 HydrophobicContact CZ-CZ 3.95Å; I104-F159 HydrophobicContact CD1-CE2 3.75Å; I104-F159 HydrophobicContact CD1-CZ 4.26Å; I104-F159 HydrophobicContact CG1-CE2 4.37Å; I104-F159 HydrophobicContact CG1-CZ 4.39Å; V126-F159 HydrophobicContact CG1-CE1 4.1Å; V126-F159 HydrophobicContact CG1-CZ 3.78Å; I139-F159 HydrophobicContact CD1-CB 4.18Å; I139-F159 HydrophobicContact CD1-CD1 3.69Å; I139-F159 HydrophobicContact CD1-CD2 3.69Å; I139-F159 HydrophobicContact CD1-CE1 3.88Å; I139-F159 HydrophobicContact CD1-CE2 3.91Å; I139-F159 HydrophobicContact CD1-CG 3.58Å; I139-F159 HydrophobicContact CD1-CZ 3.99Å; I139-F159 HydrophobicContact CG1-CB 4.25Å; I139-F159 HydrophobicContact CG1-CD1 4.44Å; I139-F159 HydrophobicContact CG1-CG 4.19Å; I139-F159 HydrophobicContact CG2-CB 3.85Å; I139-F159 HydrophobicContact CG2-CD1 3.74Å; I139-F159 HydrophobicContact CG2-CG 4.01Å; N155-F159 WeakPolarHBondContact O-CB 3.16Å; N155-F159 PolarHBondContact O-N 3.39Å; K157-F159 VanDerWaalsContact C-N 3.26Å; K157-F159 PolarHBondContact O-N 2.89Å; F159-T161 VanDerWaalsContact C-N 3.3Å; F159-T161 PolarHBondContact O-N 3.33Å; F159-R162 PolarHBondContact O-N 3.33Å; F159-L163 HydrophobicContact CD1-CD1 4.19Å; F159-L163 HydrophobicContact CD2-CD1 4.35Å; F159-L163 HydrophobicContact CD2-CG 4.17Å; F159-L163 HydrophobicContact CE1-CD1 3.78Å; F159-L163 HydrophobicContact CE2-CD1 3.94Å; F159-L163 HydrophobicContact CE2-CD2 3.93Å; F159-L163 HydrophobicContact CE2-CG 3.83Å; F159-L163 HydrophobicContact CG-CD1 4.47Å; F159-L163 HydrophobicContact CZ-CD1 3.65Å; F159-L163 HydrophobicContact CZ-CD2 4.16Å; F159-L163 HydrophobicContact CZ-CG 4.06Å; F159-L163 WeakPolarHBondContact O-CG 3.02Å; F159-L163 PolarHBondContact O-N 2.85Å; F159-F198 HydrophobicContact CD1-CD2 4.01Å; F159-F198 AromaticContact CD1-CE2 3.27Å; F159-F198 HydrophobicContact CD1-CE2 3.27Å; F159-F198 AromaticContact CD1-CZ 3.66Å; F159-F198 HydrophobicContact CD1-CZ 3.66Å; F159-F198 HydrophobicContact CE1-CE1 4.5Å; F159-F198 AromaticContact CE1-CE2 3.74Å; F159-F198 HydrophobicContact CE1-CE2 3.74Å; F159-F198 AromaticContact CE1-CZ 3.59Å; F159-F198 HydrophobicContact CE1-CZ 3.59Å; F159-F198 HydrophobicContact CG-CE2 4.13Å
160	A	96.7	Very high	85.8	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-41.5	175.6	0	0	0	0	0	112.3	Y156 K157 R162 L163 D164 F198 M201 L202 L205	Y156-A160 WeakPolarHBondContact O-CB 3.49Å; Y156-A160 PolarHBondContact O-N 3.4Å; Y156-A160 VanDerWaalsContact O-N 3.08Å; K157-A160 PolarHBondContact O-N 2.8Å; A160-R162 VanDerWaalsContact C-N 3.34Å; A160-L163 PolarHBondContact O-N 2.82Å; A160-D164 PolarHBondContact O-N 3.27Å; A160-F198 HydrophobicContact CB-CD2 3.81Å; A160-F198 HydrophobicContact CB-CE2 3.96Å; A160-M201 HydrophobicContact CB-CB 4.11Å; A160-M201 HydrophobicContact CB-CE 4.07Å; A160-M201 HydrophobicContact CB-CG 3.8Å; A160-M201 HydrophobicContact CB-SD 3.92Å; A160-L202 HydrophobicContact CB-CD2 4.04Å; A160-L202 HydrophobicContact CB-CG 4.17Å; A160-L205 HydrophobicContact CB-CD1 4.42Å
161	T	95.9	Very high	88	Confident	54 Å²	54	52.5 Å²	52.5	33%	0.331	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-43.2	177.2	-54	0	0	0	0	111.1	K157 D158 F159 D164 Q165 M201	K157-T161 WeakPolarHBondContact O-CB 3.31Å; K157-T161 PolarHBondContact O-N 3.13Å; K157-T161 PolarHBondContact O-OG1 2.87Å; D158-T161 PolarHBondContact O-N 3.38Å; F159-T161 VanDerWaalsContact C-N 3.3Å; F159-T161 PolarHBondContact O-N 3.33Å; T161-D164 PolarHBondContact O-N 2.92Å; T161-Q165 WeakPolarHBondContact O-CG 3.42Å; T161-Q165 PolarHBondContact O-N 2.88Å; T161-M201 WeakPolarHBondContact OG1-CE 3.13Å
162	R	95.3	Very high	90.2	Very high	48 Å²	48	46.2 Å²	46.2	18%	0.181	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-41.8	179.7	-172	57.8	167.6	165	-0.8	112.5	L22 I23 W25 D158 F159 A160 D164 Q165 I166	L22-R162 HydrophobicContact CD1-CB 4.48Å; L22-R162 HydrophobicContact CD1-CG 3.45Å; L22-R162 VanDerWaalsContact CD1-CG 3.45Å; L22-R162 HydrophobicContact CD2-CG 4.32Å; L22-R162 HydrophobicContact CG-CG 3.81Å; L22-R162 PolarHBondContact O-NE 3.12Å; L22-R162 PolarHBondContact O-NH2 3.2Å; I23-R162 PolarHBondContact O-NH2 3.29Å; W25-R162 PolarHBondContact O-NH2 2.93Å; D158-R162 WeakPolarHBondContact O-CB 3.2Å; D158-R162 PolarHBondContact O-N 2.93Å; F159-R162 PolarHBondContact O-N 3.33Å; A160-R162 VanDerWaalsContact C-N 3.34Å; R162-D164 VanDerWaalsContact C-N 3.35Å; R162-Q165 WeakPolarHBondContact O-CB 3.32Å; R162-Q165 PolarHBondContact O-N 3.31Å; R162-I166 HydrophobicContact CG-CD1 4.37Å; R162-I166 WeakPolarHBondContact O-CG1 3.47Å; R162-I166 PolarHBondContact O-N 3.47Å
163	L	97.5	Very high	92.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-39.9	174.2	-70.6	178.7	0	0	0	112.1	I104 V126 F159 A160 I166 R167 W175 F198 L202	I104-L163 HydrophobicContact CD1-CD2 4.06Å; I104-L163 HydrophobicContact CG1-CD2 4.31Å; I104-L163 HydrophobicContact CG2-CD2 3.9Å; V126-L163 HydrophobicContact CG2-CD1 3.85Å; V126-L163 HydrophobicContact CG2-CD2 4.03Å; F159-L163 HydrophobicContact CD1-CD1 4.19Å; F159-L163 HydrophobicContact CD2-CD1 4.35Å; F159-L163 HydrophobicContact CD2-CG 4.17Å; F159-L163 HydrophobicContact CE1-CD1 3.78Å; F159-L163 HydrophobicContact CE2-CD1 3.94Å; F159-L163 HydrophobicContact CE2-CD2 3.93Å; F159-L163 HydrophobicContact CE2-CG 3.83Å; F159-L163 HydrophobicContact CG-CD1 4.47Å; F159-L163 HydrophobicContact CZ-CD1 3.65Å; F159-L163 HydrophobicContact CZ-CD2 4.16Å; F159-L163 HydrophobicContact CZ-CG 4.06Å; F159-L163 WeakPolarHBondContact O-CG 3.02Å; F159-L163 PolarHBondContact O-N 2.85Å; A160-L163 PolarHBondContact O-N 2.82Å; L163-I166 PolarHBondContact O-N 2.81Å; L163-R167 VanDerWaalsContact O-CB 3.3Å; L163-R167 WeakPolarHBondContact O-CB 3.36Å; L163-R167 PolarHBondContact O-N 3.44Å; L163-W175 HydrophobicContact CB-CZ2 4.04Å; L163-W175 HydrophobicContact CD2-CH2 3.88Å; L163-W175 HydrophobicContact CD2-CZ2 3.74Å; L163-W175 HydrophobicContact CD2-CZ3 4.35Å; L163-W175 HydrophobicContact CG-CZ2 4.45Å; L163-W175 WeakPolarHBondContact O-CZ2 3.43Å; L163-W175 PolarHBondContact O-NE1 3.23Å; L163-F198 HydrophobicContact CD1-CE2 3.91Å; L163-F198 HydrophobicContact CD1-CZ 3.67Å; L163-L202 HydrophobicContact CB-CD2 3.9Å; L163-L202 HydrophobicContact CD1-CD1 4.34Å; L163-L202 HydrophobicContact CD1-CD2 4.18Å
164	D	96.9	Very high	94	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-38.6	174.8	-176.9	57.7	0	0	0	112.2	A160 T161 R162 R167 R168 L205	A160-D164 PolarHBondContact O-N 3.27Å; T161-D164 PolarHBondContact O-N 2.92Å; R162-D164 VanDerWaalsContact C-N 3.35Å; D164-R167 PolarHBondContact O-N 2.78Å; D164-R167 IonicContact OD1-CZ 3.61Å; D164-R167 IonicContact OD1-NE 3.25Å; D164-R167 PolarHBondContact OD1-NE 3.32Å; D164-R167 VanDerWaalsContact OD1-NE 3.09Å; D164-R167 IonicContact OD1-NH2 3.63Å; D164-R167 PolarHBondContact OD1-NH2 2.98Å; D164-R168 VanDerWaalsContact CG-NE 3.33Å; D164-R168 WeakPolarHBondContact O-CB 3.43Å; D164-R168 VanDerWaalsContact O-CG 3.28Å; D164-R168 WeakPolarHBondContact O-CG 3.35Å; D164-R168 PolarHBondContact O-N 2.88Å; D164-R168 IonicContact OD1-CZ 3.81Å; D164-R168 IonicContact OD1-NE 3.02Å; D164-R168 PolarHBondContact OD1-NE 2.75Å; D164-R168 IonicContact OD1-NH2 2.9Å; D164-R168 WeakPolarHBondContact OD2-CD 3.32Å; D164-R168 IonicContact OD2-CZ 2.73Å; D164-R168 IonicContact OD2-NE 3.54Å; D164-R168 PolarHBondContact OD2-NE 3.4Å; D164-R168 IonicContact OD2-NH2 2.65Å; D164-L205 HydrophobicContact CB-CB 4.02Å; D164-L205 HydrophobicContact CB-CD1 3.85Å; D164-L205 HydrophobicContact CB-CG 4.45Å
165	Q	95.1	Very high	95	Very high	92 Å²	92	35.9 Å²	35.9	43%	0.43	17%	0.174	S	C	.	.	H	α-helix	trans	-58	-50.6	172.8	-74.1	172.1	-6.2	0	0	111.6	T161 R162 R167 R168 V169	T161-Q165 WeakPolarHBondContact O-CG 3.42Å; T161-Q165 PolarHBondContact O-N 2.88Å; R162-Q165 WeakPolarHBondContact O-CB 3.32Å; R162-Q165 PolarHBondContact O-N 3.31Å; Q165-R167 PolarHBondContact O-N 3.4Å; Q165-R168 PolarHBondContact O-N 3.29Å; Q165-V169 WeakPolarHBondContact O-CB 3.41Å; Q165-V169 VanDerWaalsContact O-CG2 3.29Å; Q165-V169 WeakPolarHBondContact O-CG2 3.39Å; Q165-V169 PolarHBondContact O-N 3.28Å
166	I	95.7	Very high	95.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.7	-52.1	177	-68.8	163.6	0	0	0	110	I16 L22 W25 V106 R162 L163 R168 V169 V170 F172 W175	I16-I166 HydrophobicContact CD1-CD1 3.71Å; L22-I166 HydrophobicContact CD1-CD1 3.72Å; W25-I166 HydrophobicContact CD2-CD1 4.39Å; W25-I166 HydrophobicContact CD2-CG1 4.02Å; W25-I166 HydrophobicContact CE3-CD1 4.38Å; W25-I166 HydrophobicContact CE3-CG1 3.61Å; W25-I166 HydrophobicContact CH2-CB 4.2Å; W25-I166 HydrophobicContact CH2-CG1 4.01Å; W25-I166 HydrophobicContact CH2-CG2 3.88Å; W25-I166 HydrophobicContact CZ2-CG1 4.4Å; W25-I166 HydrophobicContact CZ2-CG2 3.98Å; W25-I166 HydrophobicContact CZ3-CB 4.2Å; W25-I166 HydrophobicContact CZ3-CG1 3.62Å; W25-I166 HydrophobicContact CZ3-CG2 4.36Å; V106-I166 HydrophobicContact CG1-CG2 4.18Å; V106-I166 HydrophobicContact CG2-CG2 3.79Å; R162-I166 HydrophobicContact CG-CD1 4.37Å; R162-I166 WeakPolarHBondContact O-CG1 3.47Å; R162-I166 PolarHBondContact O-N 3.47Å; L163-I166 PolarHBondContact O-N 2.81Å; I166-R168 VanDerWaalsContact C-N 3.32Å; I166-R168 PolarHBondContact O-N 3.31Å; I166-V169 PolarHBondContact O-N 2.82Å; I166-V170 HydrophobicContact CG2-CG2 4.24Å; I166-V170 WeakPolarHBondContact O-CB 3.39Å; I166-V170 VanDerWaalsContact O-CG2 3.31Å; I166-V170 WeakPolarHBondContact O-CG2 3.39Å; I166-V170 PolarHBondContact O-N 2.86Å; I166-F172 HydrophobicContact CG2-CE1 4.35Å; I166-F172 HydrophobicContact CG2-CZ 4.4Å; I166-W175 HydrophobicContact CB-CZ2 4.43Å; I166-W175 HydrophobicContact CG2-CH2 4.25Å; I166-W175 HydrophobicContact CG2-CZ2 4.25Å
167	R	96	Very high	95.8	Very high	26 Å²	26	32.6 Å²	32.6	10%	0.098	16%	0.159	C	C	.	.	H	α-helix	trans	-54.4	-45.7	-179.9	-178.5	-164.5	71.7	86.3	-3.6	112.4	L163 D164 Q165 G171 F172 W175	L163-R167 VanDerWaalsContact O-CB 3.3Å; L163-R167 WeakPolarHBondContact O-CB 3.36Å; L163-R167 PolarHBondContact O-N 3.44Å; D164-R167 PolarHBondContact O-N 2.78Å; D164-R167 IonicContact OD1-CZ 3.61Å; D164-R167 IonicContact OD1-NE 3.25Å; D164-R167 PolarHBondContact OD1-NE 3.32Å; D164-R167 VanDerWaalsContact OD1-NE 3.09Å; D164-R167 IonicContact OD1-NH2 3.63Å; D164-R167 PolarHBondContact OD1-NH2 2.98Å; Q165-R167 PolarHBondContact O-N 3.4Å; R167-G171 WeakPolarHBondContact O-CA 3.37Å; R167-G171 PolarHBondContact O-N 2.8Å; R167-F172 HydrophobicContact CB-CE1 4.39Å; R167-F172 HydrophobicContact CB-CE2 4Å; R167-F172 HydrophobicContact CB-CZ 3.94Å; R167-F172 HydrophobicContact CG-CD2 3.9Å; R167-F172 HydrophobicContact CG-CE2 3.82Å; R167-F172 HydrophobicContact CG-CG 4.34Å; R167-F172 HydrophobicContact CG-CZ 4.22Å; R167-F172 WeakPolarHBondContact CG-O 3.27Å; R167-F172 PolarHBondContact NH1-O 3.01Å; R167-F172 PolarHBondContact O-N 3.39Å; R167-W175 HydrophobicContact CB-CZ2 4.42Å
168	R	93.9	Very high	96	Very high	148 Å²	148	27.6 Å²	27.6	56%	0.558	14%	0.138	S	C	*	.	H	α-helix	trans	-70.4	-41.5	-179.6	-72.5	175.5	-178.6	-82.3	-1.2	113.1	D164 Q165 I166 L205	D164-R168 VanDerWaalsContact CG-NE 3.33Å; D164-R168 WeakPolarHBondContact O-CB 3.43Å; D164-R168 VanDerWaalsContact O-CG 3.28Å; D164-R168 WeakPolarHBondContact O-CG 3.35Å; D164-R168 PolarHBondContact O-N 2.88Å; D164-R168 IonicContact OD1-CZ 3.81Å; D164-R168 IonicContact OD1-NE 3.02Å; D164-R168 PolarHBondContact OD1-NE 2.75Å; D164-R168 IonicContact OD1-NH2 2.9Å; D164-R168 WeakPolarHBondContact OD2-CD 3.32Å; D164-R168 IonicContact OD2-CZ 2.73Å; D164-R168 IonicContact OD2-NE 3.54Å; D164-R168 PolarHBondContact OD2-NE 3.4Å; D164-R168 IonicContact OD2-NH2 2.65Å; Q165-R168 PolarHBondContact O-N 3.29Å; I166-R168 VanDerWaalsContact C-N 3.32Å; I166-R168 PolarHBondContact O-N 3.31Å; R168-L205 PolarHBondContact NH2-O 2.89Å
169	V	92.3	Very high	96.2	Very high	78 Å²	78	24.5 Å²	24.5	47%	0.473	12%	0.121	S	C	.	.	H	α-helix	trans	-72	-40.4	-177.9	171.7	0	0	0	0	111.3	F27 Q165 I166	F27-V169 HydrophobicContact CB-CG1 3.63Å; F27-V169 HydrophobicContact CD1-CG1 3.69Å; F27-V169 HydrophobicContact CG-CG1 3.93Å; Q165-V169 WeakPolarHBondContact O-CB 3.41Å; Q165-V169 VanDerWaalsContact O-CG2 3.29Å; Q165-V169 WeakPolarHBondContact O-CG2 3.39Å; Q165-V169 PolarHBondContact O-N 3.28Å; I166-V169 PolarHBondContact O-N 2.82Å
170	V	92.9	Very high	96.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-77.6	-31.8	175.9	-175.6	0	0	0	0	111	W25 F27 T34 V106 I112 I166 F172	W25-V170 HydrophobicContact CH2-CG2 3.61Å; W25-V170 HydrophobicContact CZ2-CG2 3.82Å; F27-V170 HydrophobicContact CD2-CG2 3.86Å; F27-V170 HydrophobicContact CE2-CG1 4.32Å; F27-V170 HydrophobicContact CE2-CG2 3.91Å; F27-V170 HydrophobicContact CG-CG2 4.36Å; F27-V170 HydrophobicContact CZ-CG1 4.49Å; F27-V170 HydrophobicContact CZ-CG2 4.45Å; T34-V170 VanDerWaalsContact CB-O 3.3Å; T34-V170 WeakPolarHBondContact CB-O 3.44Å; T34-V170 WeakPolarHBondContact CG2-O 3.4Å; T34-V170 PolarHBondContact OG1-O 2.88Å; V106-V170 HydrophobicContact CG1-CG1 4.24Å; V106-V170 HydrophobicContact CG1-CG2 3.94Å; I112-V170 HydrophobicContact CD1-CG1 3.49Å; I112-V170 VanDerWaalsContact CD1-CG1 3.49Å; I166-V170 HydrophobicContact CG2-CG2 4.24Å; I166-V170 WeakPolarHBondContact O-CB 3.39Å; I166-V170 VanDerWaalsContact O-CG2 3.31Å; I166-V170 WeakPolarHBondContact O-CG2 3.39Å; I166-V170 PolarHBondContact O-N 2.86Å; V170-F172 HydrophobicContact CB-CD1 3.86Å; V170-F172 HydrophobicContact CB-CE1 3.87Å; V170-F172 HydrophobicContact CG1-CD1 3.9Å; V170-F172 HydrophobicContact CG1-CE1 4.15Å; V170-F172 HydrophobicContact CG2-CE1 4.43Å
171	G	92.9	Very high	96.2	Very high	25 Å²	25	27 Å²	27	26%	0.258	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	57.3	175	0	0	0	0	0	113.7	H116 R167	H116-G171 PolarHBondContact CE1-O 2.85Å; R167-G171 WeakPolarHBondContact O-CA 3.37Å; R167-G171 PolarHBondContact O-N 2.8Å
172	F	96.3	Very high	96.2	Very high	2 Å²	2	27 Å²	27	1%	0.009	14%	0.139	C	C	.	.			trans	-128.7	169	170.3	63.3	-91.6	0	0	0	111.4	V106 P107 I112 V122 I166 R167 V170 G174 W175	V106-F172 HydrophobicContact CG1-CE1 4.2Å; P107-F172 HydrophobicContact CG-CG 4.44Å; I112-F172 HydrophobicContact CD1-CB 4.2Å; I112-F172 HydrophobicContact CD1-CD1 4.16Å; I112-F172 HydrophobicContact CG1-CB 4.47Å; V122-F172 HydrophobicContact CB-CB 4.25Å; V122-F172 HydrophobicContact CG1-CB 4.41Å; V122-F172 WeakPolarHBondContact O-CB 3.27Å; I166-F172 HydrophobicContact CG2-CE1 4.35Å; I166-F172 HydrophobicContact CG2-CZ 4.4Å; R167-F172 HydrophobicContact CB-CE1 4.39Å; R167-F172 HydrophobicContact CB-CE2 4Å; R167-F172 HydrophobicContact CB-CZ 3.94Å; R167-F172 HydrophobicContact CG-CD2 3.9Å; R167-F172 HydrophobicContact CG-CE2 3.82Å; R167-F172 HydrophobicContact CG-CG 4.34Å; R167-F172 HydrophobicContact CG-CZ 4.22Å; R167-F172 WeakPolarHBondContact CG-O 3.27Å; R167-F172 PolarHBondContact NH1-O 3.01Å; R167-F172 PolarHBondContact O-N 3.39Å; V170-F172 HydrophobicContact CB-CD1 3.86Å; V170-F172 HydrophobicContact CB-CE1 3.87Å; V170-F172 HydrophobicContact CG1-CD1 3.9Å; V170-F172 HydrophobicContact CG1-CE1 4.15Å; V170-F172 HydrophobicContact CG2-CE1 4.43Å; F172-G174 WeakPolarHBondContact CD2-O 3.44Å; F172-G174 WeakPolarHBondContact CE2-O 3.09Å; F172-W175 HydrophobicContact CE2-CD2 4.21Å; F172-W175 AromaticContact CE2-CE2 3.9Å; F172-W175 HydrophobicContact CE2-CE3 4.43Å; F172-W175 HydrophobicContact CE2-CH2 4.15Å; F172-W175 AromaticContact CE2-CZ2 3.88Å; F172-W175 HydrophobicContact CE2-CZ2 3.88Å; F172-W175 HydrophobicContact CE2-CZ3 4.4Å; F172-W175 AromaticContact CZ-CH2 3.62Å; F172-W175 HydrophobicContact CZ-CH2 3.62Å; F172-W175 AromaticContact CZ-CZ2 3.49Å; F172-W175 HydrophobicContact CZ-CZ2 3.49Å; F172-W175 VanDerWaalsContact CZ-CZ2 3.49Å; F172-W175 HydrophobicContact CZ-CZ3 4.22Å
173	E	97.6	Very high	96.2	Very high	23 Å²	23	25.2 Å²	25.2	11%	0.107	13%	0.133	C	C	.	.			trans	-88.2	-29.1	-162.7	-72.3	62.1	-121.9	0	0	114.1	L37 H116 S121 V122 Y123 E208	L37-E173 HydrophobicContact CD2-CG 3.94Å; H116-E173 IonicContact CE1-OE1 2.78Å; H116-E173 PolarHBondContact CE1-OE1 3.38Å; H116-E173 IonicContact CE1-OE2 3.34Å; H116-E173 IonicContact NE2-OE1 3.14Å; H116-E173 PolarHBondContact NE2-OE1 3.48Å; H116-E173 IonicContact NE2-OE2 3.34Å; H116-E173 PolarHBondContact NE2-OE2 2.94Å; H116-E173 VanDerWaalsContact NE2-OE2 3.13Å; S121-E173 WeakPolarHBondContact CA-OE2 3.43Å; V122-E173 PolarHBondContact N-OE2 3.18Å; V122-E173 PolarHBondContact O-N 3.06Å; Y123-E173 HydrophobicContact CD1-CB 4.23Å; Y123-E173 HydrophobicContact CE1-CB 3.92Å; E173-E208 PolarHBondContact O-N 2.68Å
174	G	98.4	Very high	96	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	-171.5	-167.7	0	0	0	0	0	118.2	Y123 G124 F172 S207 E208	Y123-G174 WeakPolarHBondContact CA-O 3.25Å; Y123-G174 WeakPolarHBondContact CB-O 3.34Å; G124-G174 PolarHBondContact N-O 3.35Å; F172-G174 WeakPolarHBondContact CD2-O 3.44Å; F172-G174 WeakPolarHBondContact CE2-O 3.09Å; G174-S207 WeakPolarHBondContact CA-OG 3.36Å; G174-E208 CarbonylContact C-O 3.56Å; G174-E208 WeakPolarHBondContact CA-O 3.44Å
175	W	98.8	Very high	95.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.4	-176.5	-65.4	103.4	0	0	0	111.8	I104 G124 V126 L163 I166 R167 F172 I177 E208 V209 I210	I104-W175 HydrophobicContact CG2-CH2 3.65Å; I104-W175 HydrophobicContact CG2-CZ3 3.62Å; G124-W175 WeakPolarHBondContact O-CA 3.46Å; V126-W175 HydrophobicContact CG2-CD2 4.28Å; V126-W175 HydrophobicContact CG2-CE3 3.77Å; V126-W175 HydrophobicContact CG2-CZ3 4.19Å; L163-W175 HydrophobicContact CB-CZ2 4.04Å; L163-W175 HydrophobicContact CD2-CH2 3.88Å; L163-W175 HydrophobicContact CD2-CZ2 3.74Å; L163-W175 HydrophobicContact CD2-CZ3 4.35Å; L163-W175 HydrophobicContact CG-CZ2 4.45Å; L163-W175 WeakPolarHBondContact O-CZ2 3.43Å; L163-W175 PolarHBondContact O-NE1 3.23Å; I166-W175 HydrophobicContact CB-CZ2 4.43Å; I166-W175 HydrophobicContact CG2-CH2 4.25Å; I166-W175 HydrophobicContact CG2-CZ2 4.25Å; R167-W175 HydrophobicContact CB-CZ2 4.42Å; F172-W175 HydrophobicContact CE2-CD2 4.21Å; F172-W175 AromaticContact CE2-CE2 3.9Å; F172-W175 HydrophobicContact CE2-CE3 4.43Å; F172-W175 HydrophobicContact CE2-CH2 4.15Å; F172-W175 AromaticContact CE2-CZ2 3.88Å; F172-W175 HydrophobicContact CE2-CZ2 3.88Å; F172-W175 HydrophobicContact CE2-CZ3 4.4Å; F172-W175 AromaticContact CZ-CH2 3.62Å; F172-W175 HydrophobicContact CZ-CH2 3.62Å; F172-W175 AromaticContact CZ-CZ2 3.49Å; F172-W175 HydrophobicContact CZ-CZ2 3.49Å; F172-W175 VanDerWaalsContact CZ-CZ2 3.49Å; F172-W175 HydrophobicContact CZ-CZ3 4.22Å; W175-I177 HydrophobicContact CB-CD1 3.82Å; W175-E208 PolarHBondContact N-O 2.9Å; W175-V209 WeakPolarHBondContact O-CA 3.29Å; W175-I210 PolarHBondContact O-N 2.84Å
176	F	98.8	Very high	95.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.5	162.2	176.9	-124.3	0	0	0	109.4	I97 F99 G124 T125 V126 N178 I210 Y212 F243	I97-F176 HydrophobicContact CD1-CB 4.04Å; I97-F176 HydrophobicContact CD1-CD2 4.13Å; I97-F176 HydrophobicContact CD1-CG 3.99Å; I97-F176 HydrophobicContact CG1-CB 4.48Å; I97-F176 HydrophobicContact CG2-CB 3.69Å; I97-F176 HydrophobicContact CG2-CD1 3.91Å; I97-F176 HydrophobicContact CG2-CG 4.02Å; F99-F176 HydrophobicContact CD2-CD1 4.05Å; F99-F176 AromaticContact CD2-CE1 3.87Å; F99-F176 HydrophobicContact CD2-CE1 3.87Å; F99-F176 HydrophobicContact CE2-CD1 4.37Å; F99-F176 AromaticContact CE2-CE1 3.85Å; F99-F176 HydrophobicContact CE2-CE1 3.85Å; G124-F176 PolarHBondContact O-N 3.1Å; T125-F176 CarbonylContact C-O 3.59Å; T125-F176 WeakPolarHBondContact CA-O 3.45Å; T125-F176 HydrophobicContact CG2-CD1 3.79Å; T125-F176 HydrophobicContact CG2-CE1 4.48Å; V126-F176 PolarHBondContact N-O 3.07Å; F176-N178 HydrophobicContact CE1-CB 3.97Å; F176-N178 HydrophobicContact CZ-CB 4.22Å; F176-I210 HydrophobicContact CD2-CB 4.14Å; F176-I210 HydrophobicContact CD2-CG2 3.87Å; F176-I210 HydrophobicContact CE2-CG2 4.18Å; F176-Y212 AromaticContact CE2-CD2 4Å; F176-Y212 HydrophobicContact CE2-CD2 4Å; F176-Y212 HydrophobicContact CE2-CG 4.3Å; F176-Y212 AromaticContact CZ-CD2 3.5Å; F176-Y212 HydrophobicContact CZ-CD2 3.5Å; F176-Y212 VanDerWaalsContact CZ-CD2 3.5Å; F176-Y212 HydrophobicContact CZ-CE2 4.39Å; F176-Y212 AromaticContact CZ-CG 3.84Å; F176-Y212 HydrophobicContact CZ-CG 3.84Å; F176-F243 HydrophobicContact CE2-CB 3.8Å; F176-F243 AromaticContact CE2-CD2 3.92Å; F176-F243 HydrophobicContact CE2-CD2 3.92Å; F176-F243 HydrophobicContact CE2-CG 4.05Å; F176-F243 HydrophobicContact CZ-CB 4.48Å; F176-F243 HydrophobicContact CZ-CD2 4.17Å; F176-F243 HydrophobicContact CZ-CG 4.34Å
177	I	98.7	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.3	-175.2	-49.9	-60.9	0	0	0	108.8	V126 W175 F179 F198 L199 L202 V209 I210 W211 Y212	V126-I177 HydrophobicContact CB-CD1 3.85Å; V126-I177 HydrophobicContact CG2-CD1 3.95Å; W175-I177 HydrophobicContact CB-CD1 3.82Å; I177-F179 HydrophobicContact CG2-CD1 3.69Å; I177-F179 HydrophobicContact CG2-CE1 3.48Å; I177-F179 VanDerWaalsContact CG2-CE1 3.48Å; I177-F179 HydrophobicContact CG2-CE2 4.36Å; I177-F179 HydrophobicContact CG2-CG 4.21Å; I177-F179 HydrophobicContact CG2-CZ 3.84Å; I177-F198 HydrophobicContact CD1-CE1 4.31Å; I177-L199 HydrophobicContact CB-CD2 4.32Å; I177-L199 HydrophobicContact CG1-CD2 3.88Å; I177-L199 HydrophobicContact CG2-CD2 4.3Å; I177-L202 HydrophobicContact CD1-CD1 4.25Å; I177-V209 HydrophobicContact CG1-CG1 3.7Å; I177-I210 PolarHBondContact N-O 2.86Å; I177-W211 HydrophobicContact CB-CE3 3.9Å; I177-W211 HydrophobicContact CB-CZ3 4.23Å; I177-W211 HydrophobicContact CG2-CE3 3.68Å; I177-W211 HydrophobicContact CG2-CZ3 3.48Å; I177-W211 VanDerWaalsContact CG2-CZ3 3.48Å; I177-Y212 PolarHBondContact O-N 2.96Å
178	N	98.1	Very high	95.5	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	94	179.4	-174.5	11.9	0	0	0	111.2	V126 I127 M128 F176 E180 Y212	V126-N178 PolarHBondContact O-N 2.91Å; I127-N178 CarbonylContact C-O 3.59Å; I127-N178 VanDerWaalsContact CA-O 3.25Å; I127-N178 WeakPolarHBondContact CA-O 3.33Å; I127-N178 HydrophobicContact CG1-CB 4.1Å; I127-N178 WeakPolarHBondContact CG1-O 3.33Å; M128-N178 PolarHBondContact N-O 2.8Å; F176-N178 HydrophobicContact CE1-CB 3.97Å; F176-N178 HydrophobicContact CZ-CB 4.22Å; N178-E180 PolarHBondContact ND2-OE1 2.83Å; N178-E180 WeakPolarHBondContact OD1-CG 3.31Å; N178-E180 PolarHBondContact OD1-OE1 2.94Å; N178-Y212 WeakPolarHBondContact OD1-CD1 3.35Å
179	F	97.5	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	95.4	178.3	-73.5	9.1	0	0	0	109.5	V126 M128 F140 I177 I181 I195 F198 W211 L215	V126-F179 HydrophobicContact CG1-CE1 4.04Å; M128-F179 HydrophobicContact CB-CD1 3.9Å; M128-F179 HydrophobicContact CB-CE1 4.31Å; M128-F179 HydrophobicContact CB-CG 4.31Å; M128-F179 HydrophobicContact CE-CE1 4.26Å; M128-F179 HydrophobicContact CE-CZ 4Å; M128-F179 HydrophobicContact CG-CD1 3.86Å; M128-F179 HydrophobicContact CG-CE1 3.74Å; M128-F179 HydrophobicContact CG-CZ 4.28Å; M128-F179 HydrophobicContact SD-CD1 4.07Å; M128-F179 HydrophobicContact SD-CD2 4.24Å; M128-F179 HydrophobicContact SD-CE1 3.7Å; M128-F179 HydrophobicContact SD-CE2 3.88Å; M128-F179 HydrophobicContact SD-CG 4.36Å; M128-F179 HydrophobicContact SD-CZ 3.61Å; F140-F179 HydrophobicContact CD2-CE2 4.41Å; F140-F179 AromaticContact CE2-CE2 3.6Å; F140-F179 HydrophobicContact CE2-CE2 3.6Å; F140-F179 AromaticContact CE2-CZ 3.7Å; F140-F179 HydrophobicContact CE2-CZ 3.7Å; F140-F179 AromaticContact CZ-CE2 3.81Å; F140-F179 HydrophobicContact CZ-CE2 3.81Å; F140-F179 AromaticContact CZ-CZ 3.99Å; F140-F179 HydrophobicContact CZ-CZ 3.99Å; I177-F179 HydrophobicContact CG2-CD1 3.69Å; I177-F179 HydrophobicContact CG2-CE1 3.48Å; I177-F179 VanDerWaalsContact CG2-CE1 3.48Å; I177-F179 HydrophobicContact CG2-CE2 4.36Å; I177-F179 HydrophobicContact CG2-CG 4.21Å; I177-F179 HydrophobicContact CG2-CZ 3.84Å; F179-I181 VanDerWaalsContact C-N 3.3Å; F179-I181 HydrophobicContact CB-CD1 4.46Å; F179-I181 HydrophobicContact CB-CG1 4.21Å; F179-I181 PolarHBondContact O-N 3Å; F179-I195 HydrophobicContact CD2-CD1 4.17Å; F179-I195 HydrophobicContact CE2-CD1 4.39Å; F179-I195 HydrophobicContact CE2-CG1 4.28Å; F179-I195 HydrophobicContact CE2-CG2 4.4Å; F179-F198 HydrophobicContact CZ-CE1 4.43Å; F179-W211 HydrophobicContact CB-CH2 3.76Å; F179-W211 HydrophobicContact CB-CZ2 4.41Å; F179-W211 HydrophobicContact CB-CZ3 4.34Å; F179-W211 AromaticContact CD2-CH2 3.72Å; F179-W211 HydrophobicContact CD2-CH2 3.72Å; F179-W211 AromaticContact CD2-CZ3 3.96Å; F179-W211 HydrophobicContact CD2-CZ3 3.96Å; F179-W211 HydrophobicContact CE2-CZ3 4.45Å; F179-W211 AromaticContact CG-CH2 3.91Å; F179-W211 HydrophobicContact CG-CH2 3.91Å; F179-W211 HydrophobicContact CG-CZ3 4.11Å; F179-L215 HydrophobicContact CB-CB 4.5Å; F179-L215 WeakPolarHBondContact O-CB 3.48Å; F179-L215 PolarHBondContact O-N 3.31Å
180	E	96.7	Very high	95.7	Very high	50 Å²	50	37.9 Å²	37.9	23%	0.234	21%	0.208	C	C	.	.			trans	-92.8	60.1	177.1	-57.5	-164.6	-162.3	0	0	110.7	M128 N178 A214 L221	M128-E180 CarbonylContact O-C 3.55Å; M128-E180 PolarHBondContact O-N 2.94Å; N178-E180 PolarHBondContact ND2-OE1 2.83Å; N178-E180 WeakPolarHBondContact OD1-CG 3.31Å; N178-E180 PolarHBondContact OD1-OE1 2.94Å; E180-A214 HydrophobicContact CG-CB 3.95Å; E180-L221 HydrophobicContact CB-CD1 4.05Å
181	I	95.6	Very high	95.8	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.015	21%	0.208	C	C	.	.			trans	-130.3	147.9	-175.3	56.7	176.1	0	0	0	111.7	M128 V131 F136 F179 L183 L215	M128-I181 HydrophobicContact CB-CG2 4.21Å; M128-I181 WeakPolarHBondContact O-CG2 3.3Å; V131-I181 HydrophobicContact CG1-CB 3.9Å; V131-I181 HydrophobicContact CG1-CD1 4.46Å; V131-I181 HydrophobicContact CG1-CG2 4.23Å; F136-I181 HydrophobicContact CD2-CD1 3.34Å; F136-I181 HydrophobicContact CE2-CD1 3.14Å; F136-I181 HydrophobicContact CG-CD1 4.15Å; F136-I181 HydrophobicContact CZ-CD1 3.78Å; F179-I181 VanDerWaalsContact C-N 3.3Å; F179-I181 HydrophobicContact CB-CD1 4.46Å; F179-I181 HydrophobicContact CB-CG1 4.21Å; F179-I181 PolarHBondContact O-N 3Å; I181-L183 HydrophobicContact CD1-CD2 4.19Å; I181-L215 HydrophobicContact CG1-CD2 4.31Å; I181-L215 WeakPolarHBondContact O-CD1 3.44Å
182	A	95.8	Very high	95.9	Very high	55 Å²	55	39.8 Å²	39.8	46%	0.455	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-96.2	127.6	165.1	0	0	0	0	0	109.3	V131 L221	V131-A182 WeakPolarHBondContact CG1-O 3.46Å; A182-L221 HydrophobicContact CB-CB 4.25Å
183	L	95.6	Very high	95.9	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-74	143.5	-178.7	-58.8	-177.3	0	0	0	111.2	F136 I181 K185 I188 I191 R192 I195 L215 G219	F136-L183 HydrophobicContact CE2-CD2 4.09Å; F136-L183 HydrophobicContact CZ-CD2 3.74Å; I181-L183 HydrophobicContact CD1-CD2 4.19Å; L183-K185 PolarHBondContact O-N 2.96Å; L183-I188 HydrophobicContact CB-CG1 4.08Å; L183-I188 HydrophobicContact CD1-CG2 4.48Å; L183-I191 HydrophobicContact CD1-CB 4.31Å; L183-I191 HydrophobicContact CD1-CG2 4.21Å; L183-I191 HydrophobicContact CD2-CB 4.36Å; L183-I191 HydrophobicContact CD2-CG2 3.62Å; L183-R192 HydrophobicContact CD1-CB 4.22Å; L183-I195 HydrophobicContact CD2-CD1 4.38Å; L183-L215 HydrophobicContact CD1-CD1 4.02Å; L183-L215 HydrophobicContact CD1-CD2 4.35Å; L183-L215 HydrophobicContact CD2-CD1 4.21Å; L183-L215 HydrophobicContact CD2-CD2 4.03Å; L183-L215 HydrophobicContact CG-CD1 3.66Å; L183-L215 HydrophobicContact CG-CD2 4.26Å; L183-G219 PolarHBondContact N-O 3.29Å
184	P	93	Very high	95.8	Very high	32 Å²	32	43.7 Å²	43.7	21%	0.208	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-57.5	128	171.4	-23.3	32.7	0	0	0	111.3	M141 E186 K187 I188 I191	M141-P184 HydrophobicContact SD-CG 4.03Å; P184-E186 PolarHBondContact O-N 3.34Å; P184-E186 VanDerWaalsContact O-N 3.08Å; P184-K187 PolarHBondContact O-N 3.41Å; P184-I188 WeakPolarHBondContact O-CG1 3.4Å; P184-I188 PolarHBondContact O-N 2.81Å; P184-I191 HydrophobicContact CG-CD1 4.4Å
185	K	92.9	Very high	95.7	Very high	172 Å²	172	43.7 Å²	43.7	75%	0.748	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-53.2	-36.6	-171.3	-71.5	-177.2	178.8	178.3	0	113.1	L183 K187	L183-K185 PolarHBondContact O-N 2.96Å; K185-K187 VanDerWaalsContact C-N 3.28Å; K185-K187 PolarHBondContact O-N 2.97Å
186	E	93	Very high	95.7	Very high	164 Å²	164	45.9 Å²	45.9	77%	0.766	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-75.7	-17.4	-176.1	-49.3	74.1	-154.2	0	0	112.8	P184	P184-E186 PolarHBondContact O-N 3.34Å; P184-E186 VanDerWaalsContact O-N 3.08Å
187	K	92.3	Very high	95.6	Very high	87 Å²	87	50 Å²	50	38%	0.378	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-122.5	6.8	-172.9	-65.2	-172.8	177.5	-178.9	0	114.1	P184 K185 A189 T190 I191	P184-K187 PolarHBondContact O-N 3.41Å; K185-K187 VanDerWaalsContact C-N 3.28Å; K185-K187 PolarHBondContact O-N 2.97Å; K187-A189 VanDerWaalsContact C-N 3.33Å; K187-A189 PolarHBondContact O-N 3.23Å; K187-T190 PolarHBondContact O-N 2.9Å; K187-T190 VanDerWaalsContact O-N 3.13Å; K187-I191 HydrophobicContact CB-CD1 3.57Å; K187-I191 HydrophobicContact CB-CG1 4.02Å; K187-I191 HydrophobicContact CD-CD1 4.46Å; K187-I191 WeakPolarHBondContact O-CG1 3.25Å; K187-I191 PolarHBondContact O-N 2.97Å
188	I	95.1	Very high	95.6	Very high	31 Å²	31	50 Å²	50	16%	0.159	25%	0.254	C	S	.	.	H	α-helix	trans	-48	-53.6	-177	-65.5	179.2	0	0	0	111.4	L183 P184 T190 I191 R192 S218	L183-I188 HydrophobicContact CB-CG1 4.08Å; L183-I188 HydrophobicContact CD1-CG2 4.48Å; P184-I188 WeakPolarHBondContact O-CG1 3.4Å; P184-I188 PolarHBondContact O-N 2.81Å; I188-T190 PolarHBondContact O-N 3.28Å; I188-I191 PolarHBondContact O-N 3.3Å; I188-R192 WeakPolarHBondContact O-CB 3.42Å; I188-R192 VanDerWaalsContact O-CG 3.23Å; I188-R192 WeakPolarHBondContact O-CG 3.37Å; I188-R192 PolarHBondContact O-N 3.33Å; I188-S218 WeakPolarHBondContact CD1-O 3.34Å
189	A	95.5	Very high	95.6	Very high	61 Å²	61	49.9 Å²	49.9	50%	0.504	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-42.4	-176.1	0	0	0	0	0	112.8	K187 R192 D193	K187-A189 VanDerWaalsContact C-N 3.33Å; K187-A189 PolarHBondContact O-N 3.23Å; A189-R192 WeakPolarHBondContact O-CG 3.43Å; A189-D193 WeakPolarHBondContact O-CB 3.49Å; A189-D193 PolarHBondContact O-N 2.92Å
190	T	94.1	Very high	95.6	Very high	74 Å²	74	55 Å²	55	45%	0.454	27%	0.272	S	S	.	.	H	α-helix	trans	-69.3	-46.9	179.5	-54.1	0	0	0	0	111.4	K187 I188 D193 R194	K187-T190 PolarHBondContact O-N 2.9Å; K187-T190 VanDerWaalsContact O-N 3.13Å; I188-T190 PolarHBondContact O-N 3.28Å; T190-D193 PolarHBondContact O-N 2.67Å; T190-R194 WeakPolarHBondContact O-CG 3.48Å; T190-R194 PolarHBondContact O-N 3.28Å; T190-R194 VanDerWaalsContact O-N 3.08Å
191	I	95.1	Very high	95.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-70.9	-44	-175	-64	167.3	0	0	0	110.8	F136 F140 M141 L183 P184 K187 I188 D193 R194 I195	F136-I191 HydrophobicContact CE2-CG2 4.02Å; F136-I191 HydrophobicContact CZ-CD1 4.22Å; F136-I191 HydrophobicContact CZ-CG2 3.86Å; F140-I191 HydrophobicContact CB-CG2 4.25Å; M141-I191 HydrophobicContact CG-CD1 3.99Å; L183-I191 HydrophobicContact CD1-CB 4.31Å; L183-I191 HydrophobicContact CD1-CG2 4.21Å; L183-I191 HydrophobicContact CD2-CB 4.36Å; L183-I191 HydrophobicContact CD2-CG2 3.62Å; P184-I191 HydrophobicContact CG-CD1 4.4Å; K187-I191 HydrophobicContact CB-CD1 3.57Å; K187-I191 HydrophobicContact CB-CG1 4.02Å; K187-I191 HydrophobicContact CD-CD1 4.46Å; K187-I191 WeakPolarHBondContact O-CG1 3.25Å; K187-I191 PolarHBondContact O-N 2.97Å; I188-I191 PolarHBondContact O-N 3.3Å; I191-D193 VanDerWaalsContact C-N 3.26Å; I191-D193 PolarHBondContact O-N 2.99Å; I191-R194 WeakPolarHBondContact O-CB 3.45Å; I191-R194 PolarHBondContact O-N 3.13Å; I191-R194 VanDerWaalsContact O-N 3.1Å; I191-I195 HydrophobicContact CG2-CD1 3.87Å; I191-I195 HydrophobicContact CG2-CG1 4.3Å; I191-I195 WeakPolarHBondContact O-CG1 3.34Å; I191-I195 PolarHBondContact O-N 2.76Å
192	R	95.6	Very high	95.8	Very high	66 Å²	66	54.7 Å²	54.7	25%	0.249	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-35.1	177.3	77.1	-174.3	177.5	179.1	-2.4	112.5	L183 I188 A189 K196 W217 Y234	L183-R192 HydrophobicContact CD1-CB 4.22Å; I188-R192 WeakPolarHBondContact O-CB 3.42Å; I188-R192 VanDerWaalsContact O-CG 3.23Å; I188-R192 WeakPolarHBondContact O-CG 3.37Å; I188-R192 PolarHBondContact O-N 3.33Å; A189-R192 WeakPolarHBondContact O-CG 3.43Å; R192-K196 VanDerWaalsContact O-CB 3.29Å; R192-K196 WeakPolarHBondContact O-CB 3.35Å; R192-K196 PolarHBondContact O-N 2.63Å; R192-W217 HydrophobicContact CB-CE3 4.45Å; R192-W217 HydrophobicContact CB-CZ3 4.24Å; R192-W217 WeakPolarHBondContact CD-O 3.46Å; R192-W217 HydrophobicContact CG-CE3 4.4Å; R192-W217 HydrophobicContact CG-CH2 4.08Å; R192-W217 HydrophobicContact CG-CZ2 4.48Å; R192-W217 HydrophobicContact CG-CZ3 4.04Å; R192-W217 PolarHBondContact NH1-O 3.3Å; R192-Y234 WeakPolarHBondContact CB-OH 3.34Å
193	D	95.4	Very high	95.9	Very high	63 Å²	63	56.1 Å²	56.1	34%	0.337	27%	0.265	S	S	.	.	H	α-helix	trans	-67.4	-40.2	174.3	179.1	64.7	0	0	0	111.8	A189 T190 I191 K196 K197	A189-D193 WeakPolarHBondContact O-CB 3.49Å; A189-D193 PolarHBondContact O-N 2.92Å; T190-D193 PolarHBondContact O-N 2.67Å; I191-D193 VanDerWaalsContact C-N 3.26Å; I191-D193 PolarHBondContact O-N 2.99Å; D193-K196 PolarHBondContact O-N 3.47Å; D193-K197 WeakPolarHBondContact O-CB 3.34Å; D193-K197 VanDerWaalsContact O-CG 3.31Å; D193-K197 WeakPolarHBondContact O-CG 3.2Å; D193-K197 PolarHBondContact O-N 3.1Å; D193-K197 IonicContact OD1-NZ 2.77Å; D193-K197 WeakPolarHBondContact OD2-CE 3.45Å; D193-K197 IonicContact OD2-NZ 3.56Å; D193-K197 PolarHBondContact OD2-NZ 3.45Å
194	R	95.6	Very high	96	Very high	44 Å²	44	61.7 Å²	61.7	17%	0.166	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-46.4	173.1	-70.8	172.8	176.5	-171.2	-6.5	112	F140 M141 N142 Y156 T190 I191 K196 K197 F198	F140-R194 HydrophobicContact CD1-CB 4.16Å; F140-R194 WeakPolarHBondContact O-CD 3.47Å; F140-R194 PolarHBondContact O-NH1 3.29Å; M141-R194 PolarHBondContact O-NH1 2.71Å; N142-R194 PolarHBondContact O-NH1 2.93Å; N142-R194 PolarHBondContact O-NH2 3.27Å; Y156-R194 HydrophobicContact CD1-CB 3.99Å; Y156-R194 HydrophobicContact CD1-CG 3.94Å; Y156-R194 HydrophobicContact CE1-CB 4.29Å; Y156-R194 HydrophobicContact CE1-CG 3.9Å; Y156-R194 HydrophobicContact CG-CB 4.45Å; T190-R194 WeakPolarHBondContact O-CG 3.48Å; T190-R194 PolarHBondContact O-N 3.28Å; T190-R194 VanDerWaalsContact O-N 3.08Å; I191-R194 WeakPolarHBondContact O-CB 3.45Å; I191-R194 PolarHBondContact O-N 3.13Å; I191-R194 VanDerWaalsContact O-N 3.1Å; R194-K196 PolarHBondContact O-N 3.19Å; R194-K197 PolarHBondContact O-N 3.18Å; R194-F198 WeakPolarHBondContact O-CB 3.41Å; R194-F198 PolarHBondContact O-N 2.96Å
195	I	97.3	Very high	96.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-46.5	175.6	-66	169.2	0	0	0	110.2	F140 F179 L183 I191 K197 F198 L199 W211 L215 Y234	F140-I195 HydrophobicContact CD1-CG1 3.85Å; F140-I195 HydrophobicContact CE1-CB 4.48Å; F140-I195 HydrophobicContact CE1-CG1 3.82Å; F140-I195 HydrophobicContact CG-CG1 4.36Å; F140-I195 HydrophobicContact CZ-CG1 4.3Å; F179-I195 HydrophobicContact CD2-CD1 4.17Å; F179-I195 HydrophobicContact CE2-CD1 4.39Å; F179-I195 HydrophobicContact CE2-CG1 4.28Å; F179-I195 HydrophobicContact CE2-CG2 4.4Å; L183-I195 HydrophobicContact CD2-CD1 4.38Å; I191-I195 HydrophobicContact CG2-CD1 3.87Å; I191-I195 HydrophobicContact CG2-CG1 4.3Å; I191-I195 WeakPolarHBondContact O-CG1 3.34Å; I191-I195 PolarHBondContact O-N 2.76Å; I195-K197 VanDerWaalsContact C-N 3.31Å; I195-K197 PolarHBondContact O-N 2.75Å; I195-F198 WeakPolarHBondContact O-CB 2.83Å; I195-F198 PolarHBondContact O-N 2.89Å; I195-L199 HydrophobicContact CG2-CD1 4.21Å; I195-L199 HydrophobicContact CG2-CG 4.43Å; I195-L199 WeakPolarHBondContact O-CG 3.21Å; I195-L199 PolarHBondContact O-N 3.4Å; I195-W211 HydrophobicContact CG2-CH2 3.86Å; I195-W211 HydrophobicContact CG2-CZ3 3.93Å; I195-L215 HydrophobicContact CD1-CD2 3.63Å; I195-Y234 HydrophobicContact CB-CE1 4.26Å; I195-Y234 HydrophobicContact CG2-CD1 4.14Å; I195-Y234 HydrophobicContact CG2-CE1 3.72Å
196	K	97.7	Very high	96.4	Very high	46 Å²	46	56.5 Å²	56.5	20%	0.2	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-39.6	177.2	-174.9	175.3	-178.6	176.1	0	112.6	R192 D193 R194 R200 W217 A237	R192-K196 VanDerWaalsContact O-CB 3.29Å; R192-K196 WeakPolarHBondContact O-CB 3.35Å; R192-K196 PolarHBondContact O-N 2.63Å; D193-K196 PolarHBondContact O-N 3.47Å; R194-K196 PolarHBondContact O-N 3.19Å; K196-R200 WeakPolarHBondContact O-CG 3.41Å; K196-R200 PolarHBondContact O-N 3.05Å; K196-W217 HydrophobicContact CD-CH2 3.88Å; K196-W217 HydrophobicContact CD-CZ3 4.02Å; K196-A237 HydrophobicContact CG-CB 3.92Å
197	K	97.5	Very high	96.7	Very high	88 Å²	88	48.9 Å²	48.9	38%	0.383	25%	0.249	S	C	.	.	H	α-helix	trans	-68.7	-40.7	175	-75	169.5	176.8	167.3	0	111.9	Y156 D193 R194 I195 R200 M201	Y156-K197 HydrophobicContact CD2-CB 4.37Å; Y156-K197 HydrophobicContact CE2-CB 3.69Å; D193-K197 WeakPolarHBondContact O-CB 3.34Å; D193-K197 VanDerWaalsContact O-CG 3.31Å; D193-K197 WeakPolarHBondContact O-CG 3.2Å; D193-K197 PolarHBondContact O-N 3.1Å; D193-K197 IonicContact OD1-NZ 2.77Å; D193-K197 WeakPolarHBondContact OD2-CE 3.45Å; D193-K197 IonicContact OD2-NZ 3.56Å; D193-K197 PolarHBondContact OD2-NZ 3.45Å; R194-K197 PolarHBondContact O-N 3.18Å; I195-K197 VanDerWaalsContact C-N 3.31Å; I195-K197 PolarHBondContact O-N 2.75Å; K197-R200 PolarHBondContact O-N 2.98Å; K197-M201 WeakPolarHBondContact O-CB 3.42Å; K197-M201 PolarHBondContact O-N 2.96Å
198	F	97.9	Very high	96.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.9	-52.5	173.7	165.4	-106.1	0	0	0	112.1	F140 Y156 F159 A160 L163 I177 F179 R194 I195 R200 M201 L202	F140-F198 HydrophobicContact CE1-CB 3.97Å; F140-F198 HydrophobicContact CE1-CD1 4.41Å; F140-F198 HydrophobicContact CE1-CG 4.15Å; F140-F198 HydrophobicContact CZ-CB 4.34Å; F140-F198 AromaticContact CZ-CD1 3.97Å; F140-F198 HydrophobicContact CZ-CD1 3.97Å; F140-F198 HydrophobicContact CZ-CD2 4.47Å; F140-F198 HydrophobicContact CZ-CE1 4.4Å; F140-F198 HydrophobicContact CZ-CG 4Å; Y156-F198 HydrophobicContact CD2-CB 4.18Å; Y156-F198 WeakPolarHBondContact O-CD2 3.29Å; F159-F198 HydrophobicContact CD1-CD2 4.01Å; F159-F198 AromaticContact CD1-CE2 3.27Å; F159-F198 HydrophobicContact CD1-CE2 3.27Å; F159-F198 AromaticContact CD1-CZ 3.66Å; F159-F198 HydrophobicContact CD1-CZ 3.66Å; F159-F198 HydrophobicContact CE1-CE1 4.5Å; F159-F198 AromaticContact CE1-CE2 3.74Å; F159-F198 HydrophobicContact CE1-CE2 3.74Å; F159-F198 AromaticContact CE1-CZ 3.59Å; F159-F198 HydrophobicContact CE1-CZ 3.59Å; F159-F198 HydrophobicContact CG-CE2 4.13Å; A160-F198 HydrophobicContact CB-CD2 3.81Å; A160-F198 HydrophobicContact CB-CE2 3.96Å; L163-F198 HydrophobicContact CD1-CE2 3.91Å; L163-F198 HydrophobicContact CD1-CZ 3.67Å; I177-F198 HydrophobicContact CD1-CE1 4.31Å; F179-F198 HydrophobicContact CZ-CE1 4.43Å; R194-F198 WeakPolarHBondContact O-CB 3.41Å; R194-F198 PolarHBondContact O-N 2.96Å; I195-F198 WeakPolarHBondContact O-CB 2.83Å; I195-F198 PolarHBondContact O-N 2.89Å; F198-R200 VanDerWaalsContact C-N 3.34Å; F198-R200 PolarHBondContact O-N 3.48Å; F198-M201 WeakPolarHBondContact O-CB 3.45Å; F198-M201 PolarHBondContact O-N 3Å; F198-L202 HydrophobicContact CE1-CD1 3.81Å; F198-L202 HydrophobicContact CE2-CD1 3.92Å; F198-L202 HydrophobicContact CE2-CG 4.08Å; F198-L202 HydrophobicContact CZ-CD1 3.47Å; F198-L202 VanDerWaalsContact CZ-CD1 3.47Å; F198-L202 HydrophobicContact CZ-CG 4.16Å; F198-L202 PolarHBondContact O-N 2.68Å
199	L	98.6	Very high	97.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-44.8	178.8	-65.3	173.3	0	0	0	111.9	I177 I195 M201 L202 R203 V209 W211 Y234 A237	I177-L199 HydrophobicContact CB-CD2 4.32Å; I177-L199 HydrophobicContact CG1-CD2 3.88Å; I177-L199 HydrophobicContact CG2-CD2 4.3Å; I195-L199 HydrophobicContact CG2-CD1 4.21Å; I195-L199 HydrophobicContact CG2-CG 4.43Å; I195-L199 WeakPolarHBondContact O-CG 3.21Å; I195-L199 PolarHBondContact O-N 3.4Å; L199-M201 VanDerWaalsContact C-N 3.3Å; L199-M201 PolarHBondContact O-N 2.98Å; L199-L202 PolarHBondContact O-N 3.02Å; L199-R203 PolarHBondContact O-N 3.13Å; L199-R203 VanDerWaalsContact O-N 3.14Å; L199-V209 HydrophobicContact CD2-CG1 3.92Å; L199-W211 HydrophobicContact CD1-CD2 4.43Å; L199-W211 HydrophobicContact CD1-CE3 3.8Å; L199-W211 HydrophobicContact CD1-CZ3 4.11Å; L199-W211 HydrophobicContact CD2-CE3 3.97Å; L199-W211 HydrophobicContact CD2-CZ3 4.27Å; L199-W211 HydrophobicContact CG-CE3 4.48Å; L199-Y234 HydrophobicContact CD1-CD1 3.96Å; L199-A237 HydrophobicContact CB-CB 3.92Å; L199-A237 HydrophobicContact CD1-CB 4.01Å
200	R	98.4	Very high	97.3	Very high	107 Å²	107	43.5 Å²	43.5	40%	0.404	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-36.9	175.7	-73.4	172.8	176.7	-177.5	-7.5	112.3	K196 K197 F198 R203 N204 A237	K196-R200 WeakPolarHBondContact O-CG 3.41Å; K196-R200 PolarHBondContact O-N 3.05Å; K197-R200 PolarHBondContact O-N 2.98Å; F198-R200 VanDerWaalsContact C-N 3.34Å; F198-R200 PolarHBondContact O-N 3.48Å; R200-R203 PolarHBondContact O-N 3.31Å; R200-N204 WeakPolarHBondContact O-CB 3.34Å; R200-N204 PolarHBondContact O-N 2.96Å; R200-N204 PolarHBondContact O-ND2 3.45Å; R200-N204 PolarHBondContact O-OD1 2.84Å; R200-A237 HydrophobicContact CG-CB 4.2Å
201	M	98.1	Very high	97.5	Very high	47 Å²	47	40 Å²	40	23%	0.232	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-46.5	179.3	-176.4	167.7	164.9	0	0	111.3	K157 A160 T161 K197 F198 L199 R203 N204 L205	K157-M201 HydrophobicContact CB-CE 4.04Å; K157-M201 HydrophobicContact CB-SD 3.81Å; K157-M201 HydrophobicContact CG-SD 4Å; K157-M201 WeakPolarHBondContact O-CE 3.47Å; A160-M201 HydrophobicContact CB-CB 4.11Å; A160-M201 HydrophobicContact CB-CE 4.07Å; A160-M201 HydrophobicContact CB-CG 3.8Å; A160-M201 HydrophobicContact CB-SD 3.92Å; T161-M201 WeakPolarHBondContact OG1-CE 3.13Å; K197-M201 WeakPolarHBondContact O-CB 3.42Å; K197-M201 PolarHBondContact O-N 2.96Å; F198-M201 WeakPolarHBondContact O-CB 3.45Å; F198-M201 PolarHBondContact O-N 3Å; L199-M201 VanDerWaalsContact C-N 3.3Å; L199-M201 PolarHBondContact O-N 2.98Å; M201-R203 VanDerWaalsContact C-N 3.28Å; M201-R203 PolarHBondContact O-N 3.46Å; M201-N204 PolarHBondContact O-N 2.94Å; M201-N204 VanDerWaalsContact O-N 3.17Å; M201-L205 HydrophobicContact CE-CD1 4.11Å; M201-L205 HydrophobicContact CG-CD1 4.04Å; M201-L205 HydrophobicContact CG-CG 4.49Å; M201-L205 WeakPolarHBondContact O-CB 3.25Å; M201-L205 VanDerWaalsContact O-CG 3.28Å; M201-L205 WeakPolarHBondContact O-CG 3.11Å; M201-L205 PolarHBondContact O-N 3.46Å
202	L	98.2	Very high	97.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-53.2	-47.8	172.4	-77.1	178.3	0	0	0	111.6	A160 L163 I177 F198 L199 L205 G206 S207 V209	A160-L202 HydrophobicContact CB-CD2 4.04Å; A160-L202 HydrophobicContact CB-CG 4.17Å; L163-L202 HydrophobicContact CB-CD2 3.9Å; L163-L202 HydrophobicContact CD1-CD1 4.34Å; L163-L202 HydrophobicContact CD1-CD2 4.18Å; I177-L202 HydrophobicContact CD1-CD1 4.25Å; F198-L202 HydrophobicContact CE1-CD1 3.81Å; F198-L202 HydrophobicContact CE2-CD1 3.92Å; F198-L202 HydrophobicContact CE2-CG 4.08Å; F198-L202 HydrophobicContact CZ-CD1 3.47Å; F198-L202 VanDerWaalsContact CZ-CD1 3.47Å; F198-L202 HydrophobicContact CZ-CG 4.16Å; F198-L202 PolarHBondContact O-N 2.68Å; L199-L202 PolarHBondContact O-N 3.02Å; L202-L205 WeakPolarHBondContact O-CB 3.49Å; L202-L205 PolarHBondContact O-N 2.95Å; L202-G206 PolarHBondContact O-N 3.3Å; L202-S207 VanDerWaalsContact O-CB 3.23Å; L202-S207 WeakPolarHBondContact O-CB 3.13Å; L202-S207 PolarHBondContact O-N 3.5Å; L202-V209 HydrophobicContact CB-CG2 3.8Å; L202-V209 HydrophobicContact CD1-CG2 4.38Å
203	R	97.2	Very high	97.8	Very high	86 Å²	86	37.3 Å²	37.3	33%	0.325	18%	0.183	S	C	.	.	H	α-helix	trans	-62.2	-44.3	177.3	-173.3	-172.9	68	-155.6	8.7	112.7	L199 R200 M201 L205 G206 S207 K236 A237	L199-R203 PolarHBondContact O-N 3.13Å; L199-R203 VanDerWaalsContact O-N 3.14Å; R200-R203 PolarHBondContact O-N 3.31Å; M201-R203 VanDerWaalsContact C-N 3.28Å; M201-R203 PolarHBondContact O-N 3.46Å; R203-L205 PolarHBondContact O-N 3.37Å; R203-G206 WeakPolarHBondContact O-CA 3.27Å; R203-G206 PolarHBondContact O-N 2.83Å; R203-S207 WeakPolarHBondContact CA-O 3.22Å; R203-K236 PolarHBondContact NH1-O 3.06Å; R203-A237 PolarHBondContact NH1-O 3.2Å
204	N	97.7	Very high	97.9	Very high	127 Å²	127	34.3 Å²	34.3	68%	0.679	17%	0.167	S	C	*	.	H	α-helix	trans	-66.7	-25.5	178.5	-69.7	-5.3	0	0	0	112.4	R200 M201 G206	R200-N204 WeakPolarHBondContact O-CB 3.34Å; R200-N204 PolarHBondContact O-N 2.96Å; R200-N204 PolarHBondContact O-ND2 3.45Å; R200-N204 PolarHBondContact O-OD1 2.84Å; M201-N204 PolarHBondContact O-N 2.94Å; M201-N204 VanDerWaalsContact O-N 3.17Å; N204-G206 PolarHBondContact O-N 3.19Å
205	L	97.7	Very high	98.1	Very high	48 Å²	48	32.3 Å²	32.3	25%	0.251	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-2	170.4	-68.6	167.3	0	0	0	112.7	A160 D164 R168 M201 L202 R203	A160-L205 HydrophobicContact CB-CD1 4.42Å; D164-L205 HydrophobicContact CB-CB 4.02Å; D164-L205 HydrophobicContact CB-CD1 3.85Å; D164-L205 HydrophobicContact CB-CG 4.45Å; R168-L205 PolarHBondContact NH2-O 2.89Å; M201-L205 HydrophobicContact CE-CD1 4.11Å; M201-L205 HydrophobicContact CG-CD1 4.04Å; M201-L205 HydrophobicContact CG-CG 4.49Å; M201-L205 WeakPolarHBondContact O-CB 3.25Å; M201-L205 VanDerWaalsContact O-CG 3.28Å; M201-L205 WeakPolarHBondContact O-CG 3.11Å; M201-L205 PolarHBondContact O-N 3.46Å; L202-L205 WeakPolarHBondContact O-CB 3.49Å; L202-L205 PolarHBondContact O-N 2.95Å; R203-L205 PolarHBondContact O-N 3.37Å
206	G	97	Very high	98.1	Very high	46 Å²	46	32.4 Å²	32.4	47%	0.474	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	10.1	176	0	0	0	0	0	114.8	L202 R203 N204	L202-G206 PolarHBondContact O-N 3.3Å; R203-G206 WeakPolarHBondContact O-CA 3.27Å; R203-G206 PolarHBondContact O-N 2.83Å; N204-G206 PolarHBondContact O-N 3.19Å
207	S	98	Very high	98.1	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.028	16%	0.162	C	C	.	.			trans	-74.6	138.2	172.1	-172.4	0	0	0	0	110.9	G174 L202 R203	G174-S207 WeakPolarHBondContact CA-OG 3.36Å; L202-S207 VanDerWaalsContact O-CB 3.23Å; L202-S207 WeakPolarHBondContact O-CB 3.13Å; L202-S207 PolarHBondContact O-N 3.5Å; R203-S207 WeakPolarHBondContact CA-O 3.22Å
208	E	98.2	Very high	98.1	Very high	66 Å²	66	30.8 Å²	30.8	31%	0.308	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.8	156.8	-60.1	-169.6	133	0	0	108.7	Y123 E173 G174 W175 S240	Y123-E208 HydrophobicContact CE1-CB 3.76Å; Y123-E208 VanDerWaalsContact CE1-OE2 3.24Å; Y123-E208 WeakPolarHBondContact CE1-OE2 3.28Å; Y123-E208 WeakPolarHBondContact OH-CB 3.29Å; Y123-E208 PolarHBondContact OH-OE2 2.64Å; E173-E208 PolarHBondContact O-N 2.68Å; G174-E208 CarbonylContact C-O 3.56Å; G174-E208 WeakPolarHBondContact CA-O 3.44Å; W175-E208 PolarHBondContact N-O 2.9Å; E208-S240 VanDerWaalsContact CA-OG 3.31Å; E208-S240 WeakPolarHBondContact CA-OG 3.28Å; E208-S240 WeakPolarHBondContact CB-OG 3.33Å
209	V	98.7	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.9	-175.3	-168.8	0	0	0	0	111.2	W175 I177 L199 L202 S238 S240 G241	W175-V209 WeakPolarHBondContact O-CA 3.29Å; I177-V209 HydrophobicContact CG1-CG1 3.7Å; L199-V209 HydrophobicContact CD2-CG1 3.92Å; L202-V209 HydrophobicContact CB-CG2 3.8Å; L202-V209 HydrophobicContact CD1-CG2 4.38Å; V209-S238 CarbonylContact O-C 3.54Å; V209-S238 VanDerWaalsContact O-CB 3.29Å; V209-S238 WeakPolarHBondContact O-CB 3.48Å; V209-S240 PolarHBondContact N-OG 2.91Å; V209-S240 WeakPolarHBondContact O-CA 3.5Å; V209-S240 WeakPolarHBondContact O-CB 3.37Å; V209-S240 PolarHBondContact O-N 3.1Å; V209-S240 VanDerWaalsContact O-N 3.17Å; V209-G241 PolarHBondContact O-N 3.19Å
210	I	98.8	Very high	98	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.3	172.6	-63.8	-174.4	0	0	0	109.1	I60 I95 Y123 W175 F176 I177 G241 F243 F270	I60-I210 HydrophobicContact CD1-CD1 3.5Å; I60-I210 VanDerWaalsContact CD1-CD1 3.5Å; I95-I210 HydrophobicContact CD1-CD1 4.36Å; Y123-I210 HydrophobicContact CD2-CD1 4.2Å; Y123-I210 HydrophobicContact CD2-CG1 4.39Å; Y123-I210 HydrophobicContact CE2-CD1 3.59Å; Y123-I210 HydrophobicContact CE2-CG1 3.82Å; W175-I210 PolarHBondContact O-N 2.84Å; F176-I210 HydrophobicContact CD2-CB 4.14Å; F176-I210 HydrophobicContact CD2-CG2 3.87Å; F176-I210 HydrophobicContact CE2-CG2 4.18Å; I177-I210 PolarHBondContact N-O 2.86Å; I210-G241 WeakPolarHBondContact CA-O 3.49Å; I210-F243 HydrophobicContact CG2-CB 3.92Å; I210-F270 HydrophobicContact CD1-CD2 4.36Å; I210-F270 HydrophobicContact CD1-CE2 3.98Å; I210-F270 HydrophobicContact CD1-CZ 4.38Å
211	W	98.7	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.3	175.5	-179	-101.3	0	0	0	110.5	I177 F179 I195 L199 L215 Y234 G241 L242 F243	I177-W211 HydrophobicContact CB-CE3 3.9Å; I177-W211 HydrophobicContact CB-CZ3 4.23Å; I177-W211 HydrophobicContact CG2-CE3 3.68Å; I177-W211 HydrophobicContact CG2-CZ3 3.48Å; I177-W211 VanDerWaalsContact CG2-CZ3 3.48Å; F179-W211 HydrophobicContact CB-CH2 3.76Å; F179-W211 HydrophobicContact CB-CZ2 4.41Å; F179-W211 HydrophobicContact CB-CZ3 4.34Å; F179-W211 AromaticContact CD2-CH2 3.72Å; F179-W211 HydrophobicContact CD2-CH2 3.72Å; F179-W211 AromaticContact CD2-CZ3 3.96Å; F179-W211 HydrophobicContact CD2-CZ3 3.96Å; F179-W211 HydrophobicContact CE2-CZ3 4.45Å; F179-W211 AromaticContact CG-CH2 3.91Å; F179-W211 HydrophobicContact CG-CH2 3.91Å; F179-W211 HydrophobicContact CG-CZ3 4.11Å; I195-W211 HydrophobicContact CG2-CH2 3.86Å; I195-W211 HydrophobicContact CG2-CZ3 3.93Å; L199-W211 HydrophobicContact CD1-CD2 4.43Å; L199-W211 HydrophobicContact CD1-CE3 3.8Å; L199-W211 HydrophobicContact CD1-CZ3 4.11Å; L199-W211 HydrophobicContact CD2-CE3 3.97Å; L199-W211 HydrophobicContact CD2-CZ3 4.27Å; L199-W211 HydrophobicContact CG-CE3 4.48Å; W211-L215 HydrophobicContact CH2-CD2 4.25Å; W211-L215 HydrophobicContact CZ2-CB 4Å; W211-L215 HydrophobicContact CZ2-CD2 4.28Å; W211-L215 HydrophobicContact CZ2-CG 4.35Å; W211-Y234 HydrophobicContact CD2-CG 4.2Å; W211-Y234 AromaticContact CE2-CD2 3.87Å; W211-Y234 AromaticContact CE2-CG 3.69Å; W211-Y234 HydrophobicContact CH2-CD1 4.41Å; W211-Y234 HydrophobicContact CZ2-CD1 4.13Å; W211-Y234 AromaticContact CZ2-CD2 3.95Å; W211-Y234 HydrophobicContact CZ2-CD2 3.95Å; W211-Y234 HydrophobicContact CZ2-CE1 4.36Å; W211-Y234 HydrophobicContact CZ2-CE2 4.18Å; W211-Y234 AromaticContact CZ2-CG 3.92Å; W211-Y234 HydrophobicContact CZ2-CG 3.92Å; W211-Y234 AromaticContact NE1-CD2 3.69Å; W211-Y234 AromaticContact NE1-CG 3.76Å; W211-G241 PolarHBondContact N-O 3.1Å; W211-L242 CarbonylContact O-C 3.58Å; W211-L242 WeakPolarHBondContact O-CA 3.43Å; W211-F243 PolarHBondContact O-N 2.91Å
212	Y	98.7	Very high	98	Very high	8 Å²	8	34.3 Å²	34.3	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139	172.3	-168.4	-110.5	0	0	0	112.2	F176 I177 N178 A214 F223 F243 N245 Y246	F176-Y212 AromaticContact CE2-CD2 4Å; F176-Y212 HydrophobicContact CE2-CD2 4Å; F176-Y212 HydrophobicContact CE2-CG 4.3Å; F176-Y212 AromaticContact CZ-CD2 3.5Å; F176-Y212 HydrophobicContact CZ-CD2 3.5Å; F176-Y212 VanDerWaalsContact CZ-CD2 3.5Å; F176-Y212 HydrophobicContact CZ-CE2 4.39Å; F176-Y212 AromaticContact CZ-CG 3.84Å; F176-Y212 HydrophobicContact CZ-CG 3.84Å; I177-Y212 PolarHBondContact O-N 2.96Å; N178-Y212 WeakPolarHBondContact OD1-CD1 3.35Å; Y212-A214 VanDerWaalsContact C-N 3.31Å; Y212-A214 HydrophobicContact CD1-CB 3.8Å; Y212-A214 HydrophobicContact CE1-CB 4.26Å; Y212-A214 PolarHBondContact O-N 2.89Å; Y212-F223 HydrophobicContact CE1-CD1 4.12Å; Y212-F223 AromaticContact CE1-CE1 3.91Å; Y212-F223 HydrophobicContact CE1-CE1 3.91Å; Y212-F243 HydrophobicContact CD2-CB 3.94Å; Y212-F243 AromaticContact CD2-CD1 3.53Å; Y212-F243 HydrophobicContact CD2-CD1 3.53Å; Y212-F243 HydrophobicContact CD2-CE1 4.25Å; Y212-F243 AromaticContact CD2-CG 3.82Å; Y212-F243 HydrophobicContact CD2-CG 3.82Å; Y212-F243 AromaticContact CE2-CD1 3.44Å; Y212-F243 HydrophobicContact CE2-CD1 3.44Å; Y212-F243 VanDerWaalsContact CE2-CD1 3.44Å; Y212-F243 AromaticContact CE2-CE1 3.75Å; Y212-F243 HydrophobicContact CE2-CE1 3.75Å; Y212-F243 HydrophobicContact CE2-CG 4.18Å; Y212-N245 PolarHBondContact OH-OD1 3.48Å; Y212-Y246 WeakPolarHBondContact OH-CE2 3.24Å; Y212-Y246 PolarHBondContact OH-OH 3.33Å
213	D	98.5	Very high	98	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.199	C	C	.	.	S	Bend	trans	-72.5	75.8	179.1	177.5	39.1	0	0	0	112.5	F223 Q224 N225 N231 L242 F243 L244	D213-F223 WeakPolarHBondContact O-CA 3.34Å; D213-F223 WeakPolarHBondContact O-CD1 3.43Å; D213-Q224 WeakPolarHBondContact OD1-CB 3.37Å; D213-Q224 WeakPolarHBondContact OD1-CG 3.47Å; D213-Q224 PolarHBondContact OD1-N 2.78Å; D213-Q224 PolarHBondContact OD2-N 3.24Å; D213-N225 WeakPolarHBondContact OD2-CA 3.23Å; D213-N225 PolarHBondContact OD2-N 3.43Å; D213-N231 PolarHBondContact OD1-ND2 3.48Å; D213-L242 HydrophobicContact CB-CD1 4.23Å; D213-F243 VanDerWaalsContact CB-O 3.27Å; D213-F243 WeakPolarHBondContact CB-O 3.38Å; D213-F243 PolarHBondContact N-O 3.48Å; D213-L244 HydrophobicContact CB-CD2 4.41Å
214	A	98.3	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.			trans	-131.7	-68.4	177.7	0	0	0	0	0	113	E180 Y212 T216 L221 S222 F223	E180-A214 HydrophobicContact CG-CB 3.95Å; Y212-A214 VanDerWaalsContact C-N 3.31Å; Y212-A214 HydrophobicContact CD1-CB 3.8Å; Y212-A214 HydrophobicContact CE1-CB 4.26Å; Y212-A214 PolarHBondContact O-N 2.89Å; A214-T216 PolarHBondContact O-N 3.13Å; A214-L221 HydrophobicContact CB-CD1 3.84Å; A214-S222 CarbonylContact O-C 3.49Å; A214-S222 PolarHBondContact O-N 2.82Å; A214-F223 HydrophobicContact CB-CD1 3.98Å; A214-F223 HydrophobicContact CB-CE1 3.68Å
215	L	98.1	Very high	98.1	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-73.8	120.9	175.1	166	64.4	0	0	0	111	F179 I181 L183 I195 W211 Y234	F179-L215 HydrophobicContact CB-CB 4.5Å; F179-L215 WeakPolarHBondContact O-CB 3.48Å; F179-L215 PolarHBondContact O-N 3.31Å; I181-L215 HydrophobicContact CG1-CD2 4.31Å; I181-L215 WeakPolarHBondContact O-CD1 3.44Å; L183-L215 HydrophobicContact CD1-CD1 4.02Å; L183-L215 HydrophobicContact CD1-CD2 4.35Å; L183-L215 HydrophobicContact CD2-CD1 4.21Å; L183-L215 HydrophobicContact CD2-CD2 4.03Å; L183-L215 HydrophobicContact CG-CD1 3.66Å; L183-L215 HydrophobicContact CG-CD2 4.26Å; I195-L215 HydrophobicContact CD1-CD2 3.63Å; W211-L215 HydrophobicContact CH2-CD2 4.25Å; W211-L215 HydrophobicContact CZ2-CB 4Å; W211-L215 HydrophobicContact CZ2-CD2 4.28Å; W211-L215 HydrophobicContact CZ2-CG 4.35Å; L215-Y234 HydrophobicContact CG-CE2 4.4Å; L215-Y234 WeakPolarHBondContact O-CE2 3.46Å
216	T	98.3	Very high	98.1	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	16%	0.158	C	C	.	.			trans	-85.2	161.4	178.5	69.8	0	0	0	0	113.4	A214 S218 G219 H220 S222 E230	A214-T216 PolarHBondContact O-N 3.13Å; T216-S218 PolarHBondContact O-N 2.85Å; T216-S218 PolarHBondContact OG1-OG 2.96Å; T216-G219 WeakPolarHBondContact O-CA 3.22Å; T216-G219 PolarHBondContact O-N 2.87Å; T216-G219 PolarHBondContact OG1-N 2.82Å; T216-H220 PolarHBondContact N-O 3.27Å; T216-H220 PolarHBondContact OG1-N 3.07Å; T216-H220 PolarHBondContact OG1-O 3.2Å; T216-S222 WeakPolarHBondContact CG2-O 3.4Å; T216-E230 CarbonylContact C-O 3.45Å; T216-E230 VanDerWaalsContact CB-OE2 3.32Å; T216-E230 WeakPolarHBondContact CB-OE2 3.38Å; T216-E230 HydrophobicContact CG2-CB 4.23Å; T216-E230 PolarHBondContact OG1-OE2 2.94Å
217	W	97.9	Very high	98.2	Very high	63 Å²	63	27.1 Å²	27.1	24%	0.239	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.1	177	-175.7	-113.8	0	0	0	112.6	R192 K196 G219 E230 P233 Y234	R192-W217 HydrophobicContact CB-CE3 4.45Å; R192-W217 HydrophobicContact CB-CZ3 4.24Å; R192-W217 WeakPolarHBondContact CD-O 3.46Å; R192-W217 HydrophobicContact CG-CE3 4.4Å; R192-W217 HydrophobicContact CG-CH2 4.08Å; R192-W217 HydrophobicContact CG-CZ2 4.48Å; R192-W217 HydrophobicContact CG-CZ3 4.04Å; R192-W217 PolarHBondContact NH1-O 3.3Å; K196-W217 HydrophobicContact CD-CH2 3.88Å; K196-W217 HydrophobicContact CD-CZ3 4.02Å; W217-G219 PolarHBondContact O-N 3.45Å; W217-E230 VanDerWaalsContact CB-O 3.3Å; W217-E230 WeakPolarHBondContact CB-O 3.4Å; W217-E230 PolarHBondContact N-O 2.84Å; W217-E230 PolarHBondContact N-OE2 3.24Å; W217-P233 HydrophobicContact CB-CG 4.3Å; W217-P233 HydrophobicContact CD2-CB 3.9Å; W217-P233 HydrophobicContact CD2-CG 3.77Å; W217-P233 HydrophobicContact CE3-CB 3.52Å; W217-P233 HydrophobicContact CE3-CG 3.93Å; W217-P233 HydrophobicContact CG-CG 3.95Å; W217-P233 HydrophobicContact CH2-CB 4.38Å; W217-P233 HydrophobicContact CZ3-CB 3.79Å; W217-Y234 HydrophobicContact CE3-CE1 4.43Å; W217-Y234 HydrophobicContact CE3-CE2 4.32Å; W217-Y234 HydrophobicContact CZ3-CE1 4.5Å
218	S	97.7	Very high	98.2	Very high	37 Å²	37	28.1 Å²	28.1	26%	0.259	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.6	170.1	55.3	0	0	0	0	113.6	I188 T216 H220 E230	I188-S218 WeakPolarHBondContact CD1-O 3.34Å; T216-S218 PolarHBondContact O-N 2.85Å; T216-S218 PolarHBondContact OG1-OG 2.96Å; S218-H220 PolarHBondContact OG-ND1 3.3Å; S218-E230 WeakPolarHBondContact CB-OE2 3.46Å; S218-E230 PolarHBondContact N-OE2 3.48Å; S218-E230 PolarHBondContact OG-OE2 3.39Å
219	G	97.5	Very high	98.2	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	91.8	11.8	172.8	0	0	0	0	0	115	L183 T216 W217	L183-G219 PolarHBondContact N-O 3.29Å; T216-G219 WeakPolarHBondContact O-CA 3.22Å; T216-G219 PolarHBondContact O-N 2.87Å; T216-G219 PolarHBondContact OG1-N 2.82Å; W217-G219 PolarHBondContact O-N 3.45Å
220	H	97.3	Very high	98.2	Very high	101 Å²	101	33.5 Å²	33.5	47%	0.468	17%	0.167	S	C	.	.			trans	-96.8	149.6	-178.9	-55.5	95.7	0	0	0	110.7	T216 S218 S222	T216-H220 PolarHBondContact N-O 3.27Å; T216-H220 PolarHBondContact OG1-N 3.07Å; T216-H220 PolarHBondContact OG1-O 3.2Å; S218-H220 PolarHBondContact OG-ND1 3.3Å; H220-S222 PolarHBondContact O-N 3.35Å
221	L	97.6	Very high	98.1	Very high	72 Å²	72	33.5 Å²	33.5	38%	0.377	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-78.3	101.6	161.8	176.9	56.1	0	0	0	107.7	E180 A182 A214 F223	E180-L221 HydrophobicContact CB-CD1 4.05Å; A182-L221 HydrophobicContact CB-CB 4.25Å; A214-L221 HydrophobicContact CB-CD1 3.84Å; L221-F223 HydrophobicContact CD1-CE1 4.42Å; L221-F223 HydrophobicContact CD1-CZ 4.1Å
222	S	97.9	Very high	98.1	Very high	54 Å²	54	33.9 Å²	33.9	38%	0.378	17%	0.17	S	C	.	.			trans	-155.4	100.4	-177.9	-179.3	0	0	0	0	110.6	A214 T216 H220 Q224	A214-S222 CarbonylContact O-C 3.49Å; A214-S222 PolarHBondContact O-N 2.82Å; T216-S222 WeakPolarHBondContact CG2-O 3.4Å; H220-S222 PolarHBondContact O-N 3.35Å; S222-Q224 PolarHBondContact O-N 3.17Å; S222-Q224 PolarHBondContact O-NE2 3.18Å; S222-Q224 PolarHBondContact OG-NE2 2.91Å
223	F	97.7	Very high	98.1	Very high	71 Å²	71	34.5 Å²	34.5	31%	0.311	17%	0.174	S	C	.	.			trans	-59.6	115.6	174.6	-45.8	-82.7	0	0	0	110.5	Y212 D213 A214 L221 N225 N245	Y212-F223 HydrophobicContact CE1-CD1 4.12Å; Y212-F223 AromaticContact CE1-CE1 3.91Å; Y212-F223 HydrophobicContact CE1-CE1 3.91Å; D213-F223 WeakPolarHBondContact O-CA 3.34Å; D213-F223 WeakPolarHBondContact O-CD1 3.43Å; A214-F223 HydrophobicContact CB-CD1 3.98Å; A214-F223 HydrophobicContact CB-CE1 3.68Å; L221-F223 HydrophobicContact CD1-CE1 4.42Å; L221-F223 HydrophobicContact CD1-CZ 4.1Å; F223-N225 PolarHBondContact O-ND2 3.07Å; F223-N225 VanDerWaalsContact O-ND2 3.07Å; F223-N245 HydrophobicContact CB-CB 3.74Å; F223-N245 WeakPolarHBondContact CB-ND2 3.21Å; F223-N245 HydrophobicContact CD1-CB 3.99Å; F223-N245 HydrophobicContact CG-CB 4.18Å
224	Q	98.3	Very high	98.1	Very high	37 Å²	37	34.3 Å²	34.3	17%	0.173	17%	0.173	C	C	.	.			trans	-76.3	-34.7	-178.4	-57	-63.1	-78.4	0	0	110.7	D213 S222 E226 T228 E230 K252	D213-Q224 WeakPolarHBondContact OD1-CB 3.37Å; D213-Q224 WeakPolarHBondContact OD1-CG 3.47Å; D213-Q224 PolarHBondContact OD1-N 2.78Å; D213-Q224 PolarHBondContact OD2-N 3.24Å; S222-Q224 PolarHBondContact O-N 3.17Å; S222-Q224 PolarHBondContact O-NE2 3.18Å; S222-Q224 PolarHBondContact OG-NE2 2.91Å; Q224-E226 HydrophobicContact CB-CG 4.41Å; Q224-T228 HydrophobicContact CB-CG2 4.21Å; Q224-T228 HydrophobicContact CG-CG2 4.46Å; Q224-T228 PolarHBondContact OE1-OG1 3.07Å; Q224-E230 HydrophobicContact CG-CB 4.39Å; Q224-K252 PolarHBondContact O-NZ 3.09Å
225	N	98.2	Very high	98	Very high	14 Å²	14	34.8 Å²	34.8	8%	0.075	18%	0.176	C	C	.	.	S	Bend	trans	64.9	20.3	-171.3	-41.8	-86.3	0	0	0	112.9	D213 F223 N245 N247 W248 K252	D213-N225 WeakPolarHBondContact OD2-CA 3.23Å; D213-N225 PolarHBondContact OD2-N 3.43Å; F223-N225 PolarHBondContact O-ND2 3.07Å; F223-N225 VanDerWaalsContact O-ND2 3.07Å; N225-N245 WeakPolarHBondContact OD1-CB 3.48Å; N225-N245 PolarHBondContact OD1-ND2 2.92Å; N225-N247 VanDerWaalsContact CB-C 3.5Å; N225-N247 WeakPolarHBondContact CB-O 3.46Å; N225-N247 WeakPolarHBondContact OD1-CA 3.36Å; N225-N247 WeakPolarHBondContact OD1-CB 3.48Å; N225-N247 PolarHBondContact OD1-N 2.89Å; N225-N247 VanDerWaalsContact OD1-N 3.12Å; N225-W248 HydrophobicContact CB-CB 4.13Å; N225-W248 VanDerWaalsContact O-CB 3.24Å; N225-W248 WeakPolarHBondContact O-CB 3.48Å; N225-K252 HydrophobicContact CB-CD 4.26Å
226	E	98.5	Very high	98	Very high	29 Å²	29	41 Å²	41	14%	0.136	20%	0.203	C	C	.	.	S	Bend	trans	-163.4	163.3	-178	75.3	-172.5	129.6	0	0	109.7	Q224 T228 N231 L244 K252 Q255 S256	Q224-E226 HydrophobicContact CB-CG 4.41Å; E226-T228 HydrophobicContact CG-CG2 3.3Å; E226-T228 PolarHBondContact O-N 3.38Å; E226-N231 PolarHBondContact O-ND2 3.42Å; E226-L244 VanDerWaalsContact C-CD2 3.45Å; E226-K252 HydrophobicContact CB-CB 3.88Å; E226-K252 HydrophobicContact CB-CD 4.43Å; E226-K252 HydrophobicContact CB-CG 4.3Å; E226-K252 WeakPolarHBondContact OE2-CA 3.21Å; E226-Q255 PolarHBondContact OE2-OE1 3.47Å; E226-S256 WeakPolarHBondContact CA-OG 3.44Å; E226-S256 WeakPolarHBondContact CB-OG 3.45Å
227	L	98.6	Very high	98	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	20%	0.202	C	C	.	.			trans	-76.5	119.3	169.3	-178.3	71.4	0	0	0	109.4	L232 M235 L242 S256 L259 T260 M265 V269	L227-L232 HydrophobicContact CD1-CB 4.31Å; L227-L232 HydrophobicContact CD1-CD1 4.08Å; L227-L232 HydrophobicContact CD2-CD1 4.4Å; L227-M235 HydrophobicContact CD1-SD 3.42Å; L227-M235 WeakPolarHBondContact CD1-SD 3.38Å; L227-M235 HydrophobicContact CD2-SD 4.19Å; L227-M235 HydrophobicContact CG-SD 4.47Å; L227-L242 HydrophobicContact CB-CD2 4.38Å; L227-L242 HydrophobicContact CD1-CD2 3.5Å; L227-S256 PolarHBondContact N-OG 3.16Å; L227-L259 HydrophobicContact CD2-CB 4.28Å; L227-L259 HydrophobicContact CD2-CD2 4.23Å; L227-L259 HydrophobicContact CD2-CG 4.27Å; L227-L259 HydrophobicContact CG-CD2 3.96Å; L227-L259 WeakPolarHBondContact O-CD2 3.17Å; L227-T260 HydrophobicContact CD2-CG2 3.7Å; L227-M265 HydrophobicContact CD2-CE 4.01Å; L227-V269 HydrophobicContact CB-CG2 4.38Å; L227-V269 HydrophobicContact CD2-CG2 4.04Å
228	T	98.5	Very high	98	Very high	26 Å²	26	37.9 Å²	37.9	16%	0.16	19%	0.191	C	C	.	.			trans	-132.1	175.1	175.7	71.9	0	0	0	0	111	Q224 E226 E230 N231 L232	Q224-T228 HydrophobicContact CB-CG2 4.21Å; Q224-T228 HydrophobicContact CG-CG2 4.46Å; Q224-T228 PolarHBondContact OE1-OG1 3.07Å; E226-T228 HydrophobicContact CG-CG2 3.3Å; E226-T228 PolarHBondContact O-N 3.38Å; T228-E230 PolarHBondContact O-N 3.14Å; T228-E230 VanDerWaalsContact O-N 3.13Å; T228-E230 WeakPolarHBondContact OG1-CB 3.24Å; T228-E230 PolarHBondContact OG1-N 2.99Å; T228-E230 VanDerWaalsContact OG1-N 3.09Å; T228-N231 PolarHBondContact N-OD1 3.29Å; T228-N231 PolarHBondContact O-N 2.87Å; T228-N231 PolarHBondContact O-OD1 3.12Å; T228-L232 WeakPolarHBondContact O-CB 3.38Å; T228-L232 PolarHBondContact O-N 2.97Å
229	E	97.8	Very high	98	Very high	121 Å²	121	36.9 Å²	36.9	57%	0.565	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.3	170.4	-64.9	-61.5	161.8	0	0	113.3	P233	E229-P233 WeakPolarHBondContact O-CD 3.39Å
230	E	98.4	Very high	97.9	Very high	57 Å²	57	38.3 Å²	38.3	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-23.3	178.5	-70.5	-62.9	135.9	0	0	113.4	T216 W217 S218 Q224 T228	T216-E230 CarbonylContact C-O 3.45Å; T216-E230 VanDerWaalsContact CB-OE2 3.32Å; T216-E230 WeakPolarHBondContact CB-OE2 3.38Å; T216-E230 HydrophobicContact CG2-CB 4.23Å; T216-E230 PolarHBondContact OG1-OE2 2.94Å; W217-E230 VanDerWaalsContact CB-O 3.3Å; W217-E230 WeakPolarHBondContact CB-O 3.4Å; W217-E230 PolarHBondContact N-O 2.84Å; W217-E230 PolarHBondContact N-OE2 3.24Å; S218-E230 WeakPolarHBondContact CB-OE2 3.46Å; S218-E230 PolarHBondContact N-OE2 3.48Å; S218-E230 PolarHBondContact OG-OE2 3.39Å; Q224-E230 HydrophobicContact CG-CB 4.39Å; T228-E230 PolarHBondContact O-N 3.14Å; T228-E230 VanDerWaalsContact O-N 3.13Å; T228-E230 WeakPolarHBondContact OG1-CB 3.24Å; T228-E230 PolarHBondContact OG1-N 2.99Å; T228-E230 VanDerWaalsContact OG1-N 3.09Å
231	N	98.5	Very high	98	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-14.9	177.9	58.7	23.4	0	0	0	113.6	D213 E226 T228 P233 Y234 M235 L242	D213-N231 PolarHBondContact OD1-ND2 3.48Å; E226-N231 PolarHBondContact O-ND2 3.42Å; T228-N231 PolarHBondContact N-OD1 3.29Å; T228-N231 PolarHBondContact O-N 2.87Å; T228-N231 PolarHBondContact O-OD1 3.12Å; N231-P233 VanDerWaalsContact C-CD 3.48Å; N231-Y234 PolarHBondContact O-N 3.4Å; N231-M235 PolarHBondContact O-N 3.13Å; N231-L242 HydrophobicContact CB-CD1 4.23Å; N231-L242 HydrophobicContact CB-CD2 4.44Å
232	L	98.1	Very high	98	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-53.8	-41.1	176.3	-179.5	64.4	0	0	0	114.2	L227 T228 Y234 M235 K236 M265	L227-L232 HydrophobicContact CD1-CB 4.31Å; L227-L232 HydrophobicContact CD1-CD1 4.08Å; L227-L232 HydrophobicContact CD2-CD1 4.4Å; T228-L232 WeakPolarHBondContact O-CB 3.38Å; T228-L232 PolarHBondContact O-N 2.97Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 2.96Å; L232-M235 HydrophobicContact CD1-SD 4.34Å; L232-M235 PolarHBondContact O-N 3.43Å; L232-K236 HydrophobicContact CD1-CD 4.26Å; L232-K236 HydrophobicContact CD1-CG 4.21Å; L232-K236 HydrophobicContact CG-CD 4.2Å; L232-K236 WeakPolarHBondContact O-CB 3.48Å; L232-K236 WeakPolarHBondContact O-CG 3.49Å; L232-K236 PolarHBondContact O-N 3.27Å; L232-M265 HydrophobicContact CD1-CE 3.49Å; L232-M265 VanDerWaalsContact CD1-CE 3.49Å
233	P	98.1	Very high	98.1	Very high	20 Å²	20	27.5 Å²	27.5	13%	0.13	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-35.1	176.8	-26.3	36.8	0	0	0	113.6	W217 E229 N231 A237	W217-P233 HydrophobicContact CB-CG 4.3Å; W217-P233 HydrophobicContact CD2-CB 3.9Å; W217-P233 HydrophobicContact CD2-CG 3.77Å; W217-P233 HydrophobicContact CE3-CB 3.52Å; W217-P233 HydrophobicContact CE3-CG 3.93Å; W217-P233 HydrophobicContact CG-CG 3.95Å; W217-P233 HydrophobicContact CH2-CB 4.38Å; W217-P233 HydrophobicContact CZ3-CB 3.79Å; E229-P233 WeakPolarHBondContact O-CD 3.39Å; N231-P233 VanDerWaalsContact C-CD 3.48Å; P233-A237 WeakPolarHBondContact O-CB 3.42Å; P233-A237 PolarHBondContact O-N 2.62Å
234	Y	98.4	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-75.8	-43.8	177.4	-64.5	-60.2	0	0	0	111.4	R192 I195 L199 W211 L215 W217 N231 L232 K236 A237 S238	R192-Y234 WeakPolarHBondContact CB-OH 3.34Å; I195-Y234 HydrophobicContact CB-CE1 4.26Å; I195-Y234 HydrophobicContact CG2-CD1 4.14Å; I195-Y234 HydrophobicContact CG2-CE1 3.72Å; L199-Y234 HydrophobicContact CD1-CD1 3.96Å; W211-Y234 HydrophobicContact CD2-CG 4.2Å; W211-Y234 AromaticContact CE2-CD2 3.87Å; W211-Y234 AromaticContact CE2-CG 3.69Å; W211-Y234 HydrophobicContact CH2-CD1 4.41Å; W211-Y234 HydrophobicContact CZ2-CD1 4.13Å; W211-Y234 AromaticContact CZ2-CD2 3.95Å; W211-Y234 HydrophobicContact CZ2-CD2 3.95Å; W211-Y234 HydrophobicContact CZ2-CE1 4.36Å; W211-Y234 HydrophobicContact CZ2-CE2 4.18Å; W211-Y234 AromaticContact CZ2-CG 3.92Å; W211-Y234 HydrophobicContact CZ2-CG 3.92Å; W211-Y234 AromaticContact NE1-CD2 3.69Å; W211-Y234 AromaticContact NE1-CG 3.76Å; L215-Y234 HydrophobicContact CG-CE2 4.4Å; L215-Y234 WeakPolarHBondContact O-CE2 3.46Å; W217-Y234 HydrophobicContact CE3-CE1 4.43Å; W217-Y234 HydrophobicContact CE3-CE2 4.32Å; W217-Y234 HydrophobicContact CZ3-CE1 4.5Å; N231-Y234 PolarHBondContact O-N 3.4Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 2.96Å; Y234-K236 VanDerWaalsContact C-N 3.31Å; Y234-K236 PolarHBondContact O-N 3.1Å; Y234-A237 CarbonylContact O-C 3.51Å; Y234-A237 WeakPolarHBondContact O-CA 3.46Å; Y234-A237 WeakPolarHBondContact O-CB 3.41Å; Y234-A237 PolarHBondContact O-N 3.36Å; Y234-S238 PolarHBondContact O-N 2.86Å; Y234-S238 PolarHBondContact O-OG 3.06Å
235	M	97.9	Very high	98.1	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.049	12%	0.118	C	C	.	.	H	α-helix	trans	-54.9	-44.7	172.6	-178	-165.9	178.2	0	0	112.1	L227 N231 L232 A237 S238 G239 L242 M265 K268 V269	L227-M235 HydrophobicContact CD1-SD 3.42Å; L227-M235 WeakPolarHBondContact CD1-SD 3.38Å; L227-M235 HydrophobicContact CD2-SD 4.19Å; L227-M235 HydrophobicContact CG-SD 4.47Å; N231-M235 PolarHBondContact O-N 3.13Å; L232-M235 HydrophobicContact CD1-SD 4.34Å; L232-M235 PolarHBondContact O-N 3.43Å; M235-A237 VanDerWaalsContact C-N 3.27Å; M235-A237 PolarHBondContact O-N 2.91Å; M235-S238 PolarHBondContact O-OG 3.03Å; M235-G239 PolarHBondContact O-N 3.37Å; M235-L242 HydrophobicContact CB-CB 4Å; M235-L242 HydrophobicContact CG-CB 3.77Å; M235-L242 HydrophobicContact SD-CB 4.18Å; M235-M265 HydrophobicContact CE-CG 4.24Å; M235-M265 WeakPolarHBondContact CE-O 3.47Å; M235-K268 HydrophobicContact CE-CB 3.52Å; M235-V269 HydrophobicContact CE-CG2 3.62Å; M235-V269 HydrophobicContact SD-CG2 4.18Å
236	K	97.7	Very high	98	Very high	133 Å²	133	23.1 Å²	23.1	58%	0.578	12%	0.117	S	C	*	.	H	α-helix	trans	-66.5	-29.6	176.1	-75.2	177.1	174.7	166.9	0	112.6	R203 L232 Y234	R203-K236 PolarHBondContact NH1-O 3.06Å; L232-K236 HydrophobicContact CD1-CD 4.26Å; L232-K236 HydrophobicContact CD1-CG 4.21Å; L232-K236 HydrophobicContact CG-CD 4.2Å; L232-K236 WeakPolarHBondContact O-CB 3.48Å; L232-K236 WeakPolarHBondContact O-CG 3.49Å; L232-K236 PolarHBondContact O-N 3.27Å; Y234-K236 VanDerWaalsContact C-N 3.31Å; Y234-K236 PolarHBondContact O-N 3.1Å
237	A	98.3	Very high	97.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-78.7	-42.8	178.9	0	0	0	0	0	112.1	K196 L199 R200 R203 P233 Y234 M235	K196-A237 HydrophobicContact CG-CB 3.92Å; L199-A237 HydrophobicContact CB-CB 3.92Å; L199-A237 HydrophobicContact CD1-CB 4.01Å; R200-A237 HydrophobicContact CG-CB 4.2Å; R203-A237 PolarHBondContact NH1-O 3.2Å; P233-A237 WeakPolarHBondContact O-CB 3.42Å; P233-A237 PolarHBondContact O-N 2.62Å; Y234-A237 CarbonylContact O-C 3.51Å; Y234-A237 WeakPolarHBondContact O-CA 3.46Å; Y234-A237 WeakPolarHBondContact O-CB 3.41Å; Y234-A237 PolarHBondContact O-N 3.36Å; M235-A237 VanDerWaalsContact C-N 3.27Å; M235-A237 PolarHBondContact O-N 2.91Å
238	S	97.8	Very high	97.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-44.8	175.6	65.9	0	0	0	0	111.1	V209 Y234 M235 S240 G241	V209-S238 CarbonylContact O-C 3.54Å; V209-S238 VanDerWaalsContact O-CB 3.29Å; V209-S238 WeakPolarHBondContact O-CB 3.48Å; Y234-S238 PolarHBondContact O-N 2.86Å; Y234-S238 PolarHBondContact O-OG 3.06Å; M235-S238 PolarHBondContact O-OG 3.03Å; S238-S240 VanDerWaalsContact C-N 3.25Å; S238-S240 PolarHBondContact O-N 3.07Å; S238-G241 PolarHBondContact OG-O 3.4Å
239	G	96.2	Very high	97.8	Very high	16 Å²	16	27.7 Å²	27.7	17%	0.165	14%	0.141	C	C	.	.			trans	83.2	-28.4	169.9	0	0	0	0	0	115.6	M235 K268	M235-G239 PolarHBondContact O-N 3.37Å; G239-K268 WeakPolarHBondContact O-CD 3.37Å; G239-K268 WeakPolarHBondContact O-CE 3.42Å; G239-K268 PolarHBondContact O-NZ 3.35Å
240	S	97	Very high	97.8	Very high	31 Å²	31	24.1 Å²	24.1	22%	0.217	13%	0.128	C	C	.	.	S	Bend	trans	-92.6	-29	176.1	-50.7	0	0	0	0	113.1	E208 V209 S238	E208-S240 VanDerWaalsContact CA-OG 3.31Å; E208-S240 WeakPolarHBondContact CA-OG 3.28Å; E208-S240 WeakPolarHBondContact CB-OG 3.33Å; V209-S240 PolarHBondContact N-OG 2.91Å; V209-S240 WeakPolarHBondContact O-CA 3.5Å; V209-S240 WeakPolarHBondContact O-CB 3.37Å; V209-S240 PolarHBondContact O-N 3.1Å; V209-S240 VanDerWaalsContact O-N 3.17Å; S238-S240 VanDerWaalsContact C-N 3.25Å; S238-S240 PolarHBondContact O-N 3.07Å
241	G	98	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	173.3	172.9	0	0	0	0	0	117.7	V209 I210 W211 S238 K268	V209-G241 PolarHBondContact O-N 3.19Å; I210-G241 WeakPolarHBondContact CA-O 3.49Å; W211-G241 PolarHBondContact N-O 3.1Å; S238-G241 PolarHBondContact OG-O 3.4Å; G241-K268 CarbonylContact C-O 3.54Å; G241-K268 WeakPolarHBondContact CA-O 3.47Å
242	L	98.8	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.1	166.3	175.8	69.3	0	0	0	107.9	W211 D213 L227 N231 M235 L244 K268 F270	W211-L242 CarbonylContact O-C 3.58Å; W211-L242 WeakPolarHBondContact O-CA 3.43Å; D213-L242 HydrophobicContact CB-CD1 4.23Å; L227-L242 HydrophobicContact CB-CD2 4.38Å; L227-L242 HydrophobicContact CD1-CD2 3.5Å; N231-L242 HydrophobicContact CB-CD1 4.23Å; N231-L242 HydrophobicContact CB-CD2 4.44Å; M235-L242 HydrophobicContact CB-CB 4Å; M235-L242 HydrophobicContact CG-CB 3.77Å; M235-L242 HydrophobicContact SD-CB 4.18Å; L242-L244 HydrophobicContact CD2-CD2 3.51Å; L242-L244 HydrophobicContact CG-CD2 3.89Å; L242-K268 PolarHBondContact N-O 2.81Å; L242-F270 PolarHBondContact O-N 2.79Å
243	F	98.8	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.9	170.9	-170.2	-51.9	0	0	0	107.6	I60 C62 F176 I210 W211 Y212 D213 Y246 A310 F312	I60-F243 HydrophobicContact CG2-CE2 4.48Å; C62-F243 HydrophobicContact CB-CE2 4.1Å; F176-F243 HydrophobicContact CE2-CB 3.8Å; F176-F243 AromaticContact CE2-CD2 3.92Å; F176-F243 HydrophobicContact CE2-CD2 3.92Å; F176-F243 HydrophobicContact CE2-CG 4.05Å; F176-F243 HydrophobicContact CZ-CB 4.48Å; F176-F243 HydrophobicContact CZ-CD2 4.17Å; F176-F243 HydrophobicContact CZ-CG 4.34Å; I210-F243 HydrophobicContact CG2-CB 3.92Å; W211-F243 PolarHBondContact O-N 2.91Å; Y212-F243 HydrophobicContact CD2-CB 3.94Å; Y212-F243 AromaticContact CD2-CD1 3.53Å; Y212-F243 HydrophobicContact CD2-CD1 3.53Å; Y212-F243 HydrophobicContact CD2-CE1 4.25Å; Y212-F243 AromaticContact CD2-CG 3.82Å; Y212-F243 HydrophobicContact CD2-CG 3.82Å; Y212-F243 AromaticContact CE2-CD1 3.44Å; Y212-F243 HydrophobicContact CE2-CD1 3.44Å; Y212-F243 VanDerWaalsContact CE2-CD1 3.44Å; Y212-F243 AromaticContact CE2-CE1 3.75Å; Y212-F243 HydrophobicContact CE2-CE1 3.75Å; Y212-F243 HydrophobicContact CE2-CG 4.18Å; D213-F243 VanDerWaalsContact CB-O 3.27Å; D213-F243 WeakPolarHBondContact CB-O 3.38Å; D213-F243 PolarHBondContact N-O 3.48Å; F243-Y246 AromaticContact CE1-CE1 3.89Å; F243-Y246 HydrophobicContact CE1-CE1 3.89Å; F243-Y246 HydrophobicContact CZ-CE1 4.31Å; F243-A310 HydrophobicContact CD2-CB 3.69Å; F243-A310 HydrophobicContact CE1-CB 4.1Å; F243-A310 HydrophobicContact CE2-CB 3.22Å; F243-A310 HydrophobicContact CG-CB 4.31Å; F243-A310 HydrophobicContact CZ-CB 3.43Å; F243-A310 VanDerWaalsContact CZ-CB 3.43Å; F243-F312 HydrophobicContact CZ-CB 4.23Å; F243-F312 HydrophobicContact CZ-CD2 4.37Å
244	L	98.7	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	142.6	177.5	-60.2	-176.9	0	0	0	111.3	D213 E226 L242 L253 V269 F270 V271 G272	D213-L244 HydrophobicContact CB-CD2 4.41Å; E226-L244 VanDerWaalsContact C-CD2 3.45Å; L242-L244 HydrophobicContact CD2-CD2 3.51Å; L242-L244 HydrophobicContact CG-CD2 3.89Å; L244-L253 HydrophobicContact CD1-CD2 4.33Å; L244-V269 HydrophobicContact CD1-CG1 3.53Å; L244-V269 HydrophobicContact CD2-CG1 4.19Å; L244-V269 HydrophobicContact CG-CG1 3.79Å; L244-F270 PolarHBondContact N-O 3.45Å; L244-V271 HydrophobicContact CD1-CG2 4.47Å; L244-G272 WeakPolarHBondContact O-CA 3.21Å; L244-G272 PolarHBondContact O-N 3.41Å
245	N	97.9	Very high	97.7	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.059	17%	0.174	C	C	.	.			trans	-65.4	166.4	170.2	-175.1	47	0	0	0	111.7	Y212 F223 N225 N247	Y212-N245 PolarHBondContact OH-OD1 3.48Å; F223-N245 HydrophobicContact CB-CB 3.74Å; F223-N245 WeakPolarHBondContact CB-ND2 3.21Å; F223-N245 HydrophobicContact CD1-CB 3.99Å; F223-N245 HydrophobicContact CG-CB 4.18Å; N225-N245 WeakPolarHBondContact OD1-CB 3.48Å; N225-N245 PolarHBondContact OD1-ND2 2.92Å; N245-N247 PolarHBondContact ND2-OD1 2.99Å
246	Y	96.6	Very high	97.7	Very high	19 Å²	19	33.9 Å²	33.9	8%	0.075	17%	0.172	C	C	.	.	S	Bend	trans	-81.8	-16.1	-162.3	-37.7	-65.5	0	0	0	115.8	Y212 F243 W248 D274 F312	Y212-Y246 WeakPolarHBondContact OH-CE2 3.24Å; Y212-Y246 PolarHBondContact OH-OH 3.33Å; F243-Y246 AromaticContact CE1-CE1 3.89Å; F243-Y246 HydrophobicContact CE1-CE1 3.89Å; F243-Y246 HydrophobicContact CZ-CE1 4.31Å; Y246-W248 PolarHBondContact O-N 3.02Å; Y246-W248 VanDerWaalsContact O-N 3.16Å; Y246-D274 HydrophobicContact CD1-CB 3.74Å; Y246-D274 HydrophobicContact CD2-CB 4.06Å; Y246-D274 HydrophobicContact CE1-CB 4.13Å; Y246-D274 HydrophobicContact CE2-CB 4.43Å; Y246-D274 HydrophobicContact CG-CB 3.7Å; Y246-F312 HydrophobicContact CE1-CB 3.62Å; Y246-F312 HydrophobicContact CE1-CD1 4.12Å; Y246-F312 HydrophobicContact CE1-CD2 4.5Å; Y246-F312 AromaticContact CE1-CG 3.83Å; Y246-F312 HydrophobicContact CE1-CG 3.83Å; Y246-F312 HydrophobicContact CE2-CD1 4.48Å; Y246-F312 AromaticContact CZ-CD1 3.71Å; Y246-F312 AromaticContact CZ-CG 3.74Å; Y246-F312 VanDerWaalsContact OH-CD1 3.26Å; Y246-F312 WeakPolarHBondContact OH-CD1 3.06Å; Y246-F312 VanDerWaalsContact OH-CD2 3.31Å; Y246-F312 WeakPolarHBondContact OH-CD2 3.32Å; Y246-F312 WeakPolarHBondContact OH-CE1 3.46Å; Y246-F312 WeakPolarHBondContact OH-CG 3.47Å
247	N	96.9	Very high	97.7	Very high	82 Å²	82	27.6 Å²	27.6	44%	0.439	15%	0.145	S	C	.	.			trans	-89.1	42.3	-174.8	-59.5	81.8	0	0	0	112.8	N225 N245 G279	N225-N247 VanDerWaalsContact CB-C 3.5Å; N225-N247 WeakPolarHBondContact CB-O 3.46Å; N225-N247 WeakPolarHBondContact OD1-CA 3.36Å; N225-N247 WeakPolarHBondContact OD1-CB 3.48Å; N225-N247 PolarHBondContact OD1-N 2.89Å; N225-N247 VanDerWaalsContact OD1-N 3.12Å; N245-N247 PolarHBondContact ND2-OD1 2.99Å; N247-G279 WeakPolarHBondContact ND2-CA 3.4Å
248	W	97.3	Very high	97.6	Very high	8 Å²	8	33.2 Å²	33.2	3%	0.03	17%	0.171	C	C	.	.			trans	-82.1	163.4	174.9	51.3	-99	0	0	0	111	N225 Y246 L253 V271 G272 I273 I281 A291 V294 V295	N225-W248 HydrophobicContact CB-CB 4.13Å; N225-W248 VanDerWaalsContact O-CB 3.24Å; N225-W248 WeakPolarHBondContact O-CB 3.48Å; Y246-W248 PolarHBondContact O-N 3.02Å; Y246-W248 VanDerWaalsContact O-N 3.16Å; W248-L253 HydrophobicContact CB-CD2 3.9Å; W248-L253 HydrophobicContact CB-CG 4.4Å; W248-L253 HydrophobicContact CD2-CD1 4.04Å; W248-L253 HydrophobicContact CD2-CD2 4.18Å; W248-L253 HydrophobicContact CD2-CG 4.26Å; W248-L253 HydrophobicContact CE3-CD1 3.49Å; W248-L253 VanDerWaalsContact CE3-CD1 3.49Å; W248-L253 HydrophobicContact CE3-CD2 4.29Å; W248-L253 HydrophobicContact CE3-CG 3.85Å; W248-L253 HydrophobicContact CG-CD2 4Å; W248-L253 HydrophobicContact CG-CG 4.48Å; W248-L253 HydrophobicContact CH2-CD1 4.44Å; W248-L253 HydrophobicContact CZ3-CD1 3.71Å; W248-V271 HydrophobicContact CD2-CG1 3.85Å; W248-V271 HydrophobicContact CG-CG1 4.05Å; W248-V271 HydrophobicContact CZ2-CG1 3.8Å; W248-V271 VanDerWaalsContact NE1-CG1 3.26Å; W248-G272 PolarHBondContact NE1-O 2.67Å; W248-I273 HydrophobicContact CZ2-CG1 4.25Å; W248-I281 HydrophobicContact CE3-CD1 4.1Å; W248-I281 HydrophobicContact CH2-CB 4.48Å; W248-I281 HydrophobicContact CH2-CD1 4.03Å; W248-I281 HydrophobicContact CH2-CG1 4.42Å; W248-I281 HydrophobicContact CZ3-CD1 3.5Å; W248-I281 HydrophobicContact CZ3-CG1 4.27Å; W248-A291 HydrophobicContact CH2-CB 4.13Å; W248-A291 HydrophobicContact CZ2-CB 4.06Å; W248-V294 HydrophobicContact CH2-CB 4.35Å; W248-V294 HydrophobicContact CH2-CG1 4.37Å; W248-V294 HydrophobicContact CZ3-CB 4.27Å; W248-V294 HydrophobicContact CZ3-CG1 3.8Å; W248-V295 HydrophobicContact CH2-CG2 3.97Å; W248-V295 HydrophobicContact CZ2-CG2 4.19Å
249	D	96.8	Very high	97.6	Very high	64 Å²	64	36 Å²	36	34%	0.342	19%	0.186	S	C	.	.			trans	-135	168.6	172.4	68	49.3	0	0	0	109.9	V251 K252 L253	D249-V251 PolarHBondContact O-N 3.43Å; D249-V251 VanDerWaalsContact O-N 3.14Å; D249-V251 WeakPolarHBondContact OD1-CA 3.14Å; D249-V251 VanDerWaalsContact OD1-CB 3.26Å; D249-V251 WeakPolarHBondContact OD1-CB 3.43Å; D249-V251 PolarHBondContact OD1-N 2.87Å; D249-K252 WeakPolarHBondContact O-CB 3.5Å; D249-K252 PolarHBondContact O-N 3.25Å; D249-K252 PolarHBondContact OD1-N 3.08Å; D249-L253 PolarHBondContact O-N 3.49Å; D249-L253 VanDerWaalsContact O-N 3.09Å
250	P	97.4	Very high	97.6	Very high	46 Å²	46	35.3 Å²	35.3	30%	0.299	18%	0.178	S	C	.	.	H	α-helix	trans	-54.9	-30.4	179.9	-31	38.3	0	0	0	115.2	R254 V294 I298	P250-R254 WeakPolarHBondContact O-CG 3.44Å; P250-R254 PolarHBondContact O-N 2.91Å; P250-R254 PolarHBondContact O-NE 3.37Å; P250-R254 PolarHBondContact O-NH2 3.41Å; P250-V294 HydrophobicContact CG-CG1 3.95Å; P250-I298 HydrophobicContact CB-CD1 3.99Å
251	V	97.8	Very high	97.4	Very high	76 Å²	76	38.7 Å²	38.7	46%	0.461	20%	0.198	S	C	.	.	H	α-helix	trans	-72	-48.8	179	178	0	0	0	0	109.7	D249 L253 R254 Q255	D249-V251 PolarHBondContact O-N 3.43Å; D249-V251 VanDerWaalsContact O-N 3.14Å; D249-V251 WeakPolarHBondContact OD1-CA 3.14Å; D249-V251 VanDerWaalsContact OD1-CB 3.26Å; D249-V251 WeakPolarHBondContact OD1-CB 3.43Å; D249-V251 PolarHBondContact OD1-N 2.87Å; V251-L253 VanDerWaalsContact C-N 3.32Å; V251-L253 PolarHBondContact O-N 2.96Å; V251-R254 WeakPolarHBondContact O-CB 3.32Å; V251-R254 PolarHBondContact O-N 3.42Å; V251-R254 VanDerWaalsContact O-N 3.13Å; V251-Q255 WeakPolarHBondContact O-CG 3.39Å; V251-Q255 PolarHBondContact O-N 2.85Å
252	K	98.1	Very high	97.1	Very high	46 Å²	46	42.4 Å²	42.4	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-41.4	176.7	-77.3	-170.2	174.6	-165.9	0	113.6	Q224 N225 E226 D249 Q255 S256	Q224-K252 PolarHBondContact O-NZ 3.09Å; N225-K252 HydrophobicContact CB-CD 4.26Å; E226-K252 HydrophobicContact CB-CB 3.88Å; E226-K252 HydrophobicContact CB-CD 4.43Å; E226-K252 HydrophobicContact CB-CG 4.3Å; E226-K252 WeakPolarHBondContact OE2-CA 3.21Å; D249-K252 WeakPolarHBondContact O-CB 3.5Å; D249-K252 PolarHBondContact O-N 3.25Å; D249-K252 PolarHBondContact OD1-N 3.08Å; K252-Q255 PolarHBondContact O-N 3.44Å; K252-S256 PolarHBondContact O-N 3.03Å; K252-S256 PolarHBondContact O-OG 2.89Å
253	L	98.2	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-39.9	176.7	-62.7	-169.1	0	0	0	111.8	L244 W248 D249 V251 S256 Q257 V271 V295 I298 L307	L244-L253 HydrophobicContact CD1-CD2 4.33Å; W248-L253 HydrophobicContact CB-CD2 3.9Å; W248-L253 HydrophobicContact CB-CG 4.4Å; W248-L253 HydrophobicContact CD2-CD1 4.04Å; W248-L253 HydrophobicContact CD2-CD2 4.18Å; W248-L253 HydrophobicContact CD2-CG 4.26Å; W248-L253 HydrophobicContact CE3-CD1 3.49Å; W248-L253 VanDerWaalsContact CE3-CD1 3.49Å; W248-L253 HydrophobicContact CE3-CD2 4.29Å; W248-L253 HydrophobicContact CE3-CG 3.85Å; W248-L253 HydrophobicContact CG-CD2 4Å; W248-L253 HydrophobicContact CG-CG 4.48Å; W248-L253 HydrophobicContact CH2-CD1 4.44Å; W248-L253 HydrophobicContact CZ3-CD1 3.71Å; D249-L253 PolarHBondContact O-N 3.49Å; D249-L253 VanDerWaalsContact O-N 3.09Å; V251-L253 VanDerWaalsContact C-N 3.32Å; V251-L253 PolarHBondContact O-N 2.96Å; L253-S256 WeakPolarHBondContact O-CB 3.24Å; L253-S256 PolarHBondContact O-N 3.46Å; L253-Q257 WeakPolarHBondContact O-CG 3.48Å; L253-Q257 PolarHBondContact O-N 2.61Å; L253-V271 HydrophobicContact CD1-CG1 4.17Å; L253-V271 HydrophobicContact CD1-CG2 4.34Å; L253-V271 HydrophobicContact CD2-CG1 3.97Å; L253-V271 HydrophobicContact CD2-CG2 3.76Å; L253-V295 HydrophobicContact CD1-CG2 4.11Å; L253-I298 HydrophobicContact CB-CG1 4.32Å; L253-I298 HydrophobicContact CB-CG2 3.94Å; L253-I298 HydrophobicContact CD1-CG1 4.37Å; L253-L307 HydrophobicContact CB-CD1 4.03Å; L253-L307 HydrophobicContact CD2-CD1 4.19Å
254	R	97.8	Very high	96.6	Very high	97 Å²	97	45.9 Å²	45.9	37%	0.366	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-42	173.6	-75.7	-175.2	-70.2	-94.8	-0.4	112.1	P250 V251 S256 Q257 E258 I298	P250-R254 WeakPolarHBondContact O-CG 3.44Å; P250-R254 PolarHBondContact O-N 2.91Å; P250-R254 PolarHBondContact O-NE 3.37Å; P250-R254 PolarHBondContact O-NH2 3.41Å; V251-R254 WeakPolarHBondContact O-CB 3.32Å; V251-R254 PolarHBondContact O-N 3.42Å; V251-R254 VanDerWaalsContact O-N 3.13Å; R254-S256 VanDerWaalsContact C-N 3.28Å; R254-S256 PolarHBondContact O-N 3.22Å; R254-Q257 WeakPolarHBondContact O-CB 3.04Å; R254-Q257 PolarHBondContact O-N 3.29Å; R254-Q257 VanDerWaalsContact O-N 3.13Å; R254-E258 WeakPolarHBondContact O-CG 3.23Å; R254-E258 PolarHBondContact O-N 2.95Å; R254-I298 HydrophobicContact CG-CD1 3.98Å; R254-I298 HydrophobicContact CG-CG2 4.34Å
255	Q	97.9	Very high	96.4	Very high	82 Å²	82	47.3 Å²	47.3	38%	0.383	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-39.3	174.6	-72.8	171.8	-41.9	0	0	111.5	E226 V251 K252 Q257 E258 L259	E226-Q255 PolarHBondContact OE2-OE1 3.47Å; V251-Q255 WeakPolarHBondContact O-CG 3.39Å; V251-Q255 PolarHBondContact O-N 2.85Å; K252-Q255 PolarHBondContact O-N 3.44Å; Q255-Q257 PolarHBondContact O-N 2.88Å; Q255-E258 WeakPolarHBondContact O-CB 3.47Å; Q255-E258 PolarHBondContact O-N 2.8Å; Q255-L259 PolarHBondContact O-N 2.85Å
256	S	98.3	Very high	96.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-43.5	173.1	-57.7	0	0	0	0	112.1	E226 L227 K252 L253 R254 T260	E226-S256 WeakPolarHBondContact CA-OG 3.44Å; E226-S256 WeakPolarHBondContact CB-OG 3.45Å; L227-S256 PolarHBondContact N-OG 3.16Å; K252-S256 PolarHBondContact O-N 3.03Å; K252-S256 PolarHBondContact O-OG 2.89Å; L253-S256 WeakPolarHBondContact O-CB 3.24Å; L253-S256 PolarHBondContact O-N 3.46Å; R254-S256 VanDerWaalsContact C-N 3.28Å; R254-S256 PolarHBondContact O-N 3.22Å; S256-T260 WeakPolarHBondContact O-CG2 3.47Å; S256-T260 PolarHBondContact O-N 2.84Å
257	Q	97.1	Very high	96.3	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-39.5	174.8	-63.6	176.2	-52.3	0	0	112	L253 R254 Q255 L259 T260 I298 N299 R305 L307	L253-Q257 WeakPolarHBondContact O-CG 3.48Å; L253-Q257 PolarHBondContact O-N 2.61Å; R254-Q257 WeakPolarHBondContact O-CB 3.04Å; R254-Q257 PolarHBondContact O-N 3.29Å; R254-Q257 VanDerWaalsContact O-N 3.13Å; Q255-Q257 PolarHBondContact O-N 2.88Å; Q257-L259 VanDerWaalsContact C-N 3.34Å; Q257-L259 PolarHBondContact O-N 2.99Å; Q257-T260 PolarHBondContact O-N 3.05Å; Q257-T260 PolarHBondContact O-OG1 3.09Å; Q257-I298 PolarHBondContact NE2-O 3.03Å; Q257-I298 VanDerWaalsContact OE1-CG2 3.26Å; Q257-N299 PolarHBondContact NE2-OD1 3.01Å; Q257-R305 HydrophobicContact CB-CB 4.35Å; Q257-R305 WeakPolarHBondContact CG-O 3.31Å; Q257-R305 PolarHBondContact NE2-O 3.01Å; Q257-R305 WeakPolarHBondContact O-CD 3.49Å; Q257-R305 PolarHBondContact O-NH1 3.02Å; Q257-L307 HydrophobicContact CG-CD1 4.01Å; Q257-L307 HydrophobicContact CG-CD2 3.84Å; Q257-L307 HydrophobicContact CG-CG 3.77Å
258	E	96.4	Very high	96.4	Very high	118 Å²	118	46.3 Å²	46.3	55%	0.551	24%	0.242	S	C	*	.	H	α-helix	trans	-60.1	-41.7	178	-77.4	170.2	-175.9	0	0	112.5	R254 Q255 T260 R305	R254-E258 WeakPolarHBondContact O-CG 3.23Å; R254-E258 PolarHBondContact O-N 2.95Å; Q255-E258 WeakPolarHBondContact O-CB 3.47Å; Q255-E258 PolarHBondContact O-N 2.8Å; E258-T260 VanDerWaalsContact C-N 3.31Å; E258-T260 PolarHBondContact O-N 2.81Å; E258-R305 PolarHBondContact O-NH1 3.4Å
259	L	97.1	Very high	96.4	Very high	58 Å²	58	46 Å²	46	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-74	-19.9	-179.2	-169.6	58.2	0	0	0	113.4	L227 Q255 Q257	L227-L259 HydrophobicContact CD2-CB 4.28Å; L227-L259 HydrophobicContact CD2-CD2 4.23Å; L227-L259 HydrophobicContact CD2-CG 4.27Å; L227-L259 HydrophobicContact CG-CD2 3.96Å; L227-L259 WeakPolarHBondContact O-CD2 3.17Å; Q255-L259 PolarHBondContact O-N 2.85Å; Q257-L259 VanDerWaalsContact C-N 3.34Å; Q257-L259 PolarHBondContact O-N 2.99Å
260	T	96	Very high	96.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	23%	0.225	C	C	.	.			trans	-81.3	140.1	175.3	66.4	0	0	0	0	111.2	L227 S256 Q257 E258 M265 S266 V269 R305	L227-T260 HydrophobicContact CD2-CG2 3.7Å; S256-T260 WeakPolarHBondContact O-CG2 3.47Å; S256-T260 PolarHBondContact O-N 2.84Å; Q257-T260 PolarHBondContact O-N 3.05Å; Q257-T260 PolarHBondContact O-OG1 3.09Å; E258-T260 VanDerWaalsContact C-N 3.31Å; E258-T260 PolarHBondContact O-N 2.81Å; T260-M265 HydrophobicContact CG2-CE 4.27Å; T260-M265 HydrophobicContact CG2-CG 4.13Å; T260-S266 WeakPolarHBondContact OG1-CB 3.28Å; T260-V269 HydrophobicContact CG2-CG2 4.19Å; T260-R305 WeakPolarHBondContact O-CD 3.23Å; T260-R305 PolarHBondContact O-NE 2.69Å; T260-R305 PolarHBondContact O-NH1 2.88Å
261	V	92.9	Very high	96.6	Very high	103 Å²	103	40.9 Å²	40.9	62%	0.624	21%	0.21	S	C	*	.			trans	-85	-25.5	-175	-64.8	0	0	0	0	114.3	M265	V261-M265 HydrophobicContact CG2-CB 4.41Å; V261-M265 HydrophobicContact CG2-SD 4.01Å
262	N	92.9	Very high	96.6	Very high	77 Å²	77	37.3 Å²	37.3	41%	0.412	19%	0.188	S	C	.	.	S	Bend	trans	-162.6	173.6	-177.6	58.3	41.6	0	0	0	110.8	S264 M265 S266	N262-S264 VanDerWaalsContact C-N 3.29Å; N262-S264 PolarHBondContact O-N 3.05Å; N262-S264 WeakPolarHBondContact OD1-CB 3.47Å; N262-S264 PolarHBondContact OD1-N 2.95Å; N262-S264 VanDerWaalsContact OD1-N 3.14Å; N262-M265 PolarHBondContact O-N 2.88Å; N262-M265 PolarHBondContact OD1-N 3.2Å; N262-S266 PolarHBondContact O-N 2.97Å
263	S	92.5	Very high	96.6	Very high	41 Å²	41	35.1 Å²	35.1	29%	0.287	18%	0.179	S	C	.	.	H	α-helix	trans	-55.7	-37.4	177.9	61.9	0	0	0	0	114.1	M265 S266 T267 D304	S263-M265 PolarHBondContact O-N 3.38Å; S263-S266 WeakPolarHBondContact CA-OG 3.49Å; S263-S266 PolarHBondContact O-N 3.3Å; S263-S266 PolarHBondContact O-OG 3.08Å; S263-T267 WeakPolarHBondContact O-CB 3.5Å; S263-T267 VanDerWaalsContact O-CG2 3.25Å; S263-T267 WeakPolarHBondContact O-CG2 3.4Å; S263-T267 PolarHBondContact O-N 3.47Å; S263-T267 PolarHBondContact O-OG1 3.12Å; S263-D304 WeakPolarHBondContact CB-O 3.23Å; S263-D304 PolarHBondContact N-O 3.39Å
264	S	92.9	Very high	96.6	Very high	32 Å²	32	35.1 Å²	35.1	22%	0.224	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-29.1	178.5	-172.8	0	0	0	0	112.7	N262 K268	N262-S264 VanDerWaalsContact C-N 3.29Å; N262-S264 PolarHBondContact O-N 3.05Å; N262-S264 WeakPolarHBondContact OD1-CB 3.47Å; N262-S264 PolarHBondContact OD1-N 2.95Å; N262-S264 VanDerWaalsContact OD1-N 3.14Å; S264-K268 WeakPolarHBondContact O-CE 3.5Å; S264-K268 WeakPolarHBondContact O-CG 3.44Å
265	M	95.6	Very high	96.6	Very high	31 Å²	31	30.5 Å²	30.5	15%	0.153	16%	0.162	C	C	.	.	H	α-helix	trans	-87.1	-42.9	173.3	-175	175.2	163.2	0	0	112.2	L227 L232 M235 T260 V261 N262 S263 T267 K268	L227-M265 HydrophobicContact CD2-CE 4.01Å; L232-M265 HydrophobicContact CD1-CE 3.49Å; L232-M265 VanDerWaalsContact CD1-CE 3.49Å; M235-M265 HydrophobicContact CE-CG 4.24Å; M235-M265 WeakPolarHBondContact CE-O 3.47Å; T260-M265 HydrophobicContact CG2-CE 4.27Å; T260-M265 HydrophobicContact CG2-CG 4.13Å; V261-M265 HydrophobicContact CG2-CB 4.41Å; V261-M265 HydrophobicContact CG2-SD 4.01Å; N262-M265 PolarHBondContact O-N 2.88Å; N262-M265 PolarHBondContact OD1-N 3.2Å; S263-M265 PolarHBondContact O-N 3.38Å; M265-T267 VanDerWaalsContact C-N 3.35Å; M265-T267 PolarHBondContact O-N 2.9Å; M265-K268 WeakPolarHBondContact O-CB 3.43Å; M265-K268 PolarHBondContact O-N 3.47Å
266	S	96.7	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-38.1	-176.7	70.4	0	0	0	0	112.6	T260 N262 S263 K268 V269 R305 P306	T260-S266 WeakPolarHBondContact OG1-CB 3.28Å; N262-S266 PolarHBondContact O-N 2.97Å; S263-S266 WeakPolarHBondContact CA-OG 3.49Å; S263-S266 PolarHBondContact O-N 3.3Å; S263-S266 PolarHBondContact O-OG 3.08Å; S266-K268 PolarHBondContact O-N 3.37Å; S266-K268 VanDerWaalsContact O-N 3.13Å; S266-V269 WeakPolarHBondContact O-CB 3.09Å; S266-V269 PolarHBondContact O-N 3.1Å; S266-R305 VanDerWaalsContact OG-CA 3.29Å; S266-R305 WeakPolarHBondContact OG-CA 3.18Å; S266-P306 CarbonylContact C-O 3.09Å; S266-P306 VanDerWaalsContact C-O 3.26Å; S266-P306 VanDerWaalsContact CB-O 3.27Å; S266-P306 WeakPolarHBondContact CB-O 3.3Å; S266-P306 PolarHBondContact OG-O 3.38Å
267	T	96.2	Very high	96.4	Very high	14 Å²	14	30.1 Å²	30.1	9%	0.086	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.1	177.6	53.5	0	0	0	0	113.9	G55 L56 P57 S263 M265 V269 P306 S308	G55-T267 WeakPolarHBondContact O-CG2 3.49Å; L56-T267 VanDerWaalsContact C-CG2 3.48Å; L56-T267 WeakPolarHBondContact O-CG2 3.44Å; P57-T267 HydrophobicContact CG-CG2 4.39Å; S263-T267 WeakPolarHBondContact O-CB 3.5Å; S263-T267 VanDerWaalsContact O-CG2 3.25Å; S263-T267 WeakPolarHBondContact O-CG2 3.4Å; S263-T267 PolarHBondContact O-N 3.47Å; S263-T267 PolarHBondContact O-OG1 3.12Å; M265-T267 VanDerWaalsContact C-N 3.35Å; M265-T267 PolarHBondContact O-N 2.9Å; T267-V269 VanDerWaalsContact C-N 3.34Å; T267-P306 HydrophobicContact CG2-CG 4.07Å; T267-P306 PolarHBondContact N-O 3.15Å; T267-S308 WeakPolarHBondContact O-CB 3.21Å; T267-S308 PolarHBondContact O-OG 2.91Å
268	K	97.8	Very high	96.2	Very high	77 Å²	77	36.1 Å²	36.1	34%	0.335	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.5	170.4	-65.3	180	-178.3	-166.9	0	112.8	M235 G239 G241 L242 S264 M265 S266 F270	M235-K268 HydrophobicContact CE-CB 3.52Å; G239-K268 WeakPolarHBondContact O-CD 3.37Å; G239-K268 WeakPolarHBondContact O-CE 3.42Å; G239-K268 PolarHBondContact O-NZ 3.35Å; G241-K268 CarbonylContact C-O 3.54Å; G241-K268 WeakPolarHBondContact CA-O 3.47Å; L242-K268 PolarHBondContact N-O 2.81Å; S264-K268 WeakPolarHBondContact O-CE 3.5Å; S264-K268 WeakPolarHBondContact O-CG 3.44Å; M265-K268 WeakPolarHBondContact O-CB 3.43Å; M265-K268 PolarHBondContact O-N 3.47Å; S266-K268 PolarHBondContact O-N 3.37Å; S266-K268 VanDerWaalsContact O-N 3.13Å; K268-F270 WeakPolarHBondContact O-CD2 3.24Å
269	V	98.6	Very high	95.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.1	171.1	-177	0	0	0	0	107.6	L227 M235 L244 T260 S266 T267 L307 S308	L227-V269 HydrophobicContact CB-CG2 4.38Å; L227-V269 HydrophobicContact CD2-CG2 4.04Å; M235-V269 HydrophobicContact CE-CG2 3.62Å; M235-V269 HydrophobicContact SD-CG2 4.18Å; L244-V269 HydrophobicContact CD1-CG1 3.53Å; L244-V269 HydrophobicContact CD2-CG1 4.19Å; L244-V269 HydrophobicContact CG-CG1 3.79Å; T260-V269 HydrophobicContact CG2-CG2 4.19Å; S266-V269 WeakPolarHBondContact O-CB 3.09Å; S266-V269 PolarHBondContact O-N 3.1Å; T267-V269 VanDerWaalsContact C-N 3.34Å; V269-L307 HydrophobicContact CB-CD2 3.92Å; V269-L307 HydrophobicContact CG1-CD2 4.14Å; V269-S308 PolarHBondContact O-N 2.78Å
270	F	98.8	Very high	95.3	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.8	179.4	-64.9	-94.3	0	0	0	109.3	K58 I60 I95 I210 L242 L244 K268 G272 S308 A310	K58-F270 HydrophobicContact CB-CE1 3.86Å; K58-F270 HydrophobicContact CB-CZ 4.37Å; I60-F270 HydrophobicContact CB-CD1 4.49Å; I60-F270 HydrophobicContact CD1-CB 4.09Å; I60-F270 HydrophobicContact CD1-CD1 3.26Å; I60-F270 HydrophobicContact CD1-CD2 3.9Å; I60-F270 HydrophobicContact CD1-CE1 3.49Å; I60-F270 VanDerWaalsContact CD1-CE1 3.49Å; I60-F270 HydrophobicContact CD1-CE2 4.11Å; I60-F270 HydrophobicContact CD1-CG 3.48Å; I60-F270 VanDerWaalsContact CD1-CG 3.48Å; I60-F270 HydrophobicContact CD1-CZ 3.92Å; I60-F270 HydrophobicContact CG1-CD1 3.68Å; I60-F270 HydrophobicContact CG1-CE1 3.65Å; I60-F270 HydrophobicContact CG1-CG 4.39Å; I60-F270 HydrophobicContact CG1-CZ 4.36Å; I95-F270 HydrophobicContact CD1-CE1 4.42Å; I95-F270 HydrophobicContact CD1-CZ 4.12Å; I210-F270 HydrophobicContact CD1-CD2 4.36Å; I210-F270 HydrophobicContact CD1-CE2 3.98Å; I210-F270 HydrophobicContact CD1-CZ 4.38Å; L242-F270 PolarHBondContact O-N 2.79Å; L244-F270 PolarHBondContact N-O 3.45Å; K268-F270 WeakPolarHBondContact O-CD2 3.24Å; F270-G272 PolarHBondContact O-N 3.25Å; F270-S308 CarbonylContact C-O 3.5Å; F270-S308 WeakPolarHBondContact CA-O 3.41Å; F270-A310 HydrophobicContact CB-CB 4.04Å
271	V	98.7	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	113.4	176.5	-177	0	0	0	0	108.8	L244 W248 L253 I273 V295 L307 S308 A310	L244-V271 HydrophobicContact CD1-CG2 4.47Å; W248-V271 HydrophobicContact CD2-CG1 3.85Å; W248-V271 HydrophobicContact CG-CG1 4.05Å; W248-V271 HydrophobicContact CZ2-CG1 3.8Å; W248-V271 VanDerWaalsContact NE1-CG1 3.26Å; L253-V271 HydrophobicContact CD1-CG1 4.17Å; L253-V271 HydrophobicContact CD1-CG2 4.34Å; L253-V271 HydrophobicContact CD2-CG1 3.97Å; L253-V271 HydrophobicContact CD2-CG2 3.76Å; V271-I273 PolarHBondContact O-N 2.99Å; V271-V295 HydrophobicContact CB-CG2 4.19Å; V271-V295 HydrophobicContact CG1-CG2 3.8Å; V271-V295 HydrophobicContact CG2-CG1 4.44Å; V271-V295 HydrophobicContact CG2-CG2 4.48Å; V271-L307 HydrophobicContact CG2-CB 3.94Å; V271-L307 HydrophobicContact CG2-CD1 3.8Å; V271-S308 PolarHBondContact N-O 2.75Å; V271-A310 PolarHBondContact O-N 3.06Å
272	G	98.4	Very high	95.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.2	178.7	0	0	0	0	0	111.8	L244 W248 F270 A310	L244-G272 WeakPolarHBondContact O-CA 3.21Å; L244-G272 PolarHBondContact O-N 3.41Å; W248-G272 PolarHBondContact NE1-O 2.67Å; F270-G272 PolarHBondContact O-N 3.25Å; G272-A310 CarbonylContact C-O 3.44Å; G272-A310 WeakPolarHBondContact CA-O 3.45Å
273	I	98.4	Very high	95.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	108.2	172	-57.2	-179.4	0	0	0	107.4	W248 V271 C275 T288 A291 L292 V309 A310 L311 F312	W248-I273 HydrophobicContact CZ2-CG1 4.25Å; V271-I273 PolarHBondContact O-N 2.99Å; I273-C275 PolarHBondContact O-N 2.87Å; I273-T288 HydrophobicContact CG2-CG2 3.72Å; I273-A291 HydrophobicContact CD1-CB 3.96Å; I273-A291 HydrophobicContact CG1-CB 4.14Å; I273-A291 HydrophobicContact CG2-CB 3.68Å; I273-L292 HydrophobicContact CD1-CB 4.15Å; I273-L292 HydrophobicContact CD1-CD1 4.48Å; I273-V309 HydrophobicContact CD1-CG1 3.68Å; I273-V309 HydrophobicContact CG1-CG1 4.19Å; I273-A310 PolarHBondContact N-O 3.24Å; I273-L311 HydrophobicContact CB-CD2 4.16Å; I273-L311 HydrophobicContact CD1-CD2 4.32Å; I273-L311 HydrophobicContact CG2-CD2 4.46Å; I273-F312 PolarHBondContact O-N 3.45Å
274	D	97.9	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	112.7	176.4	176.8	24	0	0	0	110.8	Y246 F276 G277 R278	Y246-D274 HydrophobicContact CD1-CB 3.74Å; Y246-D274 HydrophobicContact CD2-CB 4.06Å; Y246-D274 HydrophobicContact CE1-CB 4.13Å; Y246-D274 HydrophobicContact CE2-CB 4.43Å; Y246-D274 HydrophobicContact CG-CB 3.7Å; D274-F276 PolarHBondContact O-N 3.28Å; D274-F276 PolarHBondContact OD1-N 3.32Å; D274-G277 WeakPolarHBondContact O-CA 3.32Å; D274-G277 PolarHBondContact O-N 3.24Å; D274-G277 PolarHBondContact OD2-N 2.83Å; D274-R278 IonicContact OD1-CZ 2.77Å; D274-R278 IonicContact OD1-NE 2.64Å; D274-R278 IonicContact OD1-NH2 3.51Å; D274-R278 PolarHBondContact OD1-NH2 2.95Å; D274-R278 WeakPolarHBondContact OD2-CB 3.48Å; D274-R278 WeakPolarHBondContact OD2-CG 3.32Å; D274-R278 IonicContact OD2-CZ 3.46Å; D274-R278 PolarHBondContact OD2-N 3.03Å; D274-R278 IonicContact OD2-NE 3.83Å; D274-R278 PolarHBondContact OD2-NE 3.05Å; D274-R278 IonicContact OD2-NH2 3.4Å; D274-R278 PolarHBondContact OD2-NH2 3.47Å
275	C	97.9	Very high	95.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.7	178.1	-64.2	0	0	0	0	112.8	I273 G285 F312 A313 W316	I273-C275 PolarHBondContact O-N 2.87Å; C275-G285 PolarHBondContact O-N 3.02Å; C275-F312 VanDerWaalsContact CB-O 3.29Å; C275-F312 WeakPolarHBondContact CB-O 3.34Å; C275-F312 PolarHBondContact N-O 3.22Å; C275-F312 PolarHBondContact SG-O 3.31Å; C275-A313 WeakPolarHBondContact CB-O 3.44Å; C275-W316 HydrophobicContact CB-CB 4.23Å
276	F	97.1	Very high	95.9	Very high	59 Å²	59	28.2 Å²	28.2	26%	0.259	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.3	167.6	-79.5	-107.8	0	0	0	113.6	D274 A313 W316 E319 K320	D274-F276 PolarHBondContact O-N 3.28Å; D274-F276 PolarHBondContact OD1-N 3.32Å; F276-A313 HydrophobicContact CD2-CB 3.61Å; F276-A313 HydrophobicContact CE2-CB 3.73Å; F276-A313 WeakPolarHBondContact CE2-O 3.33Å; F276-W316 HydrophobicContact CD2-CB 3.91Å; F276-W316 HydrophobicContact CE2-CB 3.67Å; F276-W316 HydrophobicContact CE2-CG 4.49Å; F276-W316 HydrophobicContact CZ-CB 4.16Å; F276-E319 HydrophobicContact CZ-CB 4.13Å; F276-K320 HydrophobicContact CE1-CG 4.46Å
277	G	95.2	Very high	95.8	Very high	15 Å²	15	29 Å²	29	16%	0.155	18%	0.18	C	C	.	.			trans	85.4	13.7	168.6	0	0	0	0	0	116.4	D274 G279 C280 G283	D274-G277 WeakPolarHBondContact O-CA 3.32Å; D274-G277 PolarHBondContact O-N 3.24Å; D274-G277 PolarHBondContact OD2-N 2.83Å; G277-G279 PolarHBondContact O-N 3.35Å; G277-C280 PolarHBondContact O-N 3.04Å; G277-G283 WeakPolarHBondContact CA-O 3.39Å
278	R	92	Very high	95.9	Very high	127 Å²	127	28.4 Å²	28.4	48%	0.479	18%	0.176	S	C	.	.	S	Bend	trans	-65.2	95.5	179.7	-65.3	163.8	-76.3	-160.2	-13	109.9	D274 C280 F312	D274-R278 IonicContact OD1-CZ 2.77Å; D274-R278 IonicContact OD1-NE 2.64Å; D274-R278 IonicContact OD1-NH2 3.51Å; D274-R278 PolarHBondContact OD1-NH2 2.95Å; D274-R278 WeakPolarHBondContact OD2-CB 3.48Å; D274-R278 WeakPolarHBondContact OD2-CG 3.32Å; D274-R278 IonicContact OD2-CZ 3.46Å; D274-R278 PolarHBondContact OD2-N 3.03Å; D274-R278 IonicContact OD2-NE 3.83Å; D274-R278 PolarHBondContact OD2-NE 3.05Å; D274-R278 IonicContact OD2-NH2 3.4Å; D274-R278 PolarHBondContact OD2-NH2 3.47Å; R278-C280 PolarHBondContact O-N 3.35Å; R278-F312 VanDerWaalsContact NH2-CE1 3.27Å
279	G	84.5	Confident	95.8	Very high	47 Å²	47	25 Å²	25	49%	0.485	16%	0.161	S	C	.	.	S	Bend	trans	73.8	6.5	177.7	0	0	0	0	0	115.6	N247 G277	N247-G279 WeakPolarHBondContact ND2-CA 3.4Å; G277-G279 PolarHBondContact O-N 3.35Å
280	C	91.3	Very high	95.7	Very high	11 Å²	11	28.8 Å²	28.8	7%	0.074	18%	0.179	C	C	.	.			trans	-90.9	144.6	-176.4	-161.4	0	0	0	0	111.3	G277 R278 G282 G283	G277-C280 PolarHBondContact O-N 3.04Å; R278-C280 PolarHBondContact O-N 3.35Å; C280-G282 PolarHBondContact O-N 3.22Å; C280-G283 PolarHBondContact O-N 3.17Å; C280-G283 VanDerWaalsContact O-N 3.09Å
281	I	95.4	Very high	95.7	Very high	58 Å²	58	28.6 Å²	28.6	30%	0.297	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-55.3	136.8	173.1	-61.6	-177.3	0	0	0	109.5	W248 G283 A291 V294	W248-I281 HydrophobicContact CE3-CD1 4.1Å; W248-I281 HydrophobicContact CH2-CB 4.48Å; W248-I281 HydrophobicContact CH2-CD1 4.03Å; W248-I281 HydrophobicContact CH2-CG1 4.42Å; W248-I281 HydrophobicContact CZ3-CD1 3.5Å; W248-I281 HydrophobicContact CZ3-CG1 4.27Å; I281-G283 VanDerWaalsContact C-N 3.26Å; I281-G283 PolarHBondContact O-N 3.25Å; I281-A291 HydrophobicContact CB-CB 4.48Å; I281-A291 WeakPolarHBondContact O-CB 3.3Å; I281-V294 HydrophobicContact CD1-CG1 4.31Å; I281-V294 HydrophobicContact CD1-CG2 4.41Å; I281-V294 HydrophobicContact CG2-CG2 4.24Å
282	G	95.1	Very high	95.6	Very high	44 Å²	44	28.7 Å²	28.7	45%	0.454	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	82.1	-9.7	-177.6	0	0	0	0	0	115.2	C280 G284 G287	C280-G282 PolarHBondContact O-N 3.22Å; G282-G284 VanDerWaalsContact C-N 3.35Å; G282-G284 PolarHBondContact O-N 2.91Å; G282-G287 WeakPolarHBondContact O-CA 3.48Å
283	G	95.4	Very high	95.5	Very high	51 Å²	51	31.7 Å²	31.7	53%	0.526	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	73.4	20.6	172	0	0	0	0	0	115.3	G277 C280 I281	G277-G283 WeakPolarHBondContact CA-O 3.39Å; C280-G283 PolarHBondContact O-N 3.17Å; C280-G283 VanDerWaalsContact O-N 3.09Å; I281-G283 VanDerWaalsContact C-N 3.26Å; I281-G283 PolarHBondContact O-N 3.25Å
284	G	95.5	Very high	95.5	Very high	7 Å²	7	33.1 Å²	33.1	7%	0.072	20%	0.201	C	C	.	.	S	Bend	trans	71.5	-165.9	178	0	0	0	0	0	113.6	G282 F286 G287 T288	G282-G284 VanDerWaalsContact C-N 3.35Å; G282-G284 PolarHBondContact O-N 2.91Å; G284-F286 PolarHBondContact O-N 2.72Å; G284-G287 CarbonylContact O-C 3.35Å; G284-G287 WeakPolarHBondContact O-CA 3.19Å; G284-G287 PolarHBondContact O-N 2.92Å; G284-T288 PolarHBondContact O-N 3.1Å
285	G	96.6	Very high	95.4	Very high	4 Å²	4	33.1 Å²	33.1	4%	0.041	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	52.9	-132.1	-175.6	0	0	0	0	0	112.5	C275 G287 T288 W316 F344	C275-G285 PolarHBondContact O-N 3.02Å; G285-G287 PolarHBondContact O-N 3.46Å; G285-T288 WeakPolarHBondContact O-CB 3.26Å; G285-T288 PolarHBondContact O-N 3.24Å; G285-T288 PolarHBondContact O-OG1 3.41Å; G285-W316 VanDerWaalsContact CA-CD2 3.49Å; G285-W316 VanDerWaalsContact CA-CH2 3.46Å; G285-F344 WeakPolarHBondContact O-CE2 3.49Å
286	F	95.5	Very high	95.3	Very high	74 Å²	74	33.3 Å²	33.3	33%	0.325	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-62	-20	172.9	-65.7	-61.3	0	0	0	113.7	G284 T288 V289 W316 M340 K343 F344	G284-F286 PolarHBondContact O-N 2.72Å; F286-T288 VanDerWaalsContact C-N 3.27Å; F286-T288 PolarHBondContact O-N 2.76Å; F286-V289 WeakPolarHBondContact O-CG1 3.43Å; F286-W316 AromaticContact CD2-CH2 3.88Å; F286-W316 HydrophobicContact CD2-CH2 3.88Å; F286-W316 AromaticContact CE2-CH2 3.91Å; F286-W316 HydrophobicContact CE2-CH2 3.91Å; F286-W316 HydrophobicContact CE2-CZ3 4.43Å; F286-W316 HydrophobicContact CG-CH2 4.3Å; F286-W316 HydrophobicContact CZ-CH2 4.34Å; F286-W316 HydrophobicContact CZ-CZ3 4.42Å; F286-M340 HydrophobicContact CZ-CG 4.3Å; F286-K343 HydrophobicContact CD1-CG 4.48Å; F286-K343 HydrophobicContact CE1-CB 4.14Å; F286-K343 HydrophobicContact CE1-CD 3.84Å; F286-K343 HydrophobicContact CE1-CG 3.72Å; F286-K343 HydrophobicContact CZ-CD 3.85Å; F286-K343 HydrophobicContact CZ-CG 4.23Å; F286-F344 HydrophobicContact CE1-CB 4.22Å
287	G	96.1	Very high	95.2	Very high	16 Å²	16	35.4 Å²	35.4	17%	0.165	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-76.5	-6.1	173	0	0	0	0	0	114.7	G282 G284 G285 V289 E290	G282-G287 WeakPolarHBondContact O-CA 3.48Å; G284-G287 CarbonylContact O-C 3.35Å; G284-G287 WeakPolarHBondContact O-CA 3.19Å; G284-G287 PolarHBondContact O-N 2.92Å; G285-G287 PolarHBondContact O-N 3.46Å; G287-V289 PolarHBondContact O-N 3.43Å; G287-V289 VanDerWaalsContact O-N 3.12Å; G287-E290 WeakPolarHBondContact O-CB 3.26Å; G287-E290 PolarHBondContact O-N 3.09Å
288	T	97.7	Very high	95.2	Very high	1 Å²	1	35 Å²	35	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-51.7	-33.1	169	-57.6	0	0	0	0	111.4	I273 G284 G285 F286 E290 A291 L292 L311 F344 L348	I273-T288 HydrophobicContact CG2-CG2 3.72Å; G284-T288 PolarHBondContact O-N 3.1Å; G285-T288 WeakPolarHBondContact O-CB 3.26Å; G285-T288 PolarHBondContact O-N 3.24Å; G285-T288 PolarHBondContact O-OG1 3.41Å; F286-T288 VanDerWaalsContact C-N 3.27Å; F286-T288 PolarHBondContact O-N 2.76Å; T288-E290 VanDerWaalsContact C-N 3.29Å; T288-E290 PolarHBondContact O-N 3.15Å; T288-A291 PolarHBondContact O-N 3.36Å; T288-L292 PolarHBondContact O-N 3.35Å; T288-L311 HydrophobicContact CG2-CD2 4.13Å; T288-F344 HydrophobicContact CG2-CZ 4.31Å; T288-L348 HydrophobicContact CG2-CD1 4.2Å; T288-L348 HydrophobicContact CG2-CD2 3.99Å
289	V	96	Very high	95.3	Very high	5 Å²	5	29 Å²	29	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-35.4	176.5	73	0	0	0	0	112.7	F286 G287 L292 K293 H347 L348 L351	F286-V289 WeakPolarHBondContact O-CG1 3.43Å; G287-V289 PolarHBondContact O-N 3.43Å; G287-V289 VanDerWaalsContact O-N 3.12Å; V289-L292 PolarHBondContact O-N 3.1Å; V289-K293 WeakPolarHBondContact O-CG 3.26Å; V289-K293 PolarHBondContact O-N 2.83Å; V289-H347 HydrophobicContact CB-CB 4.16Å; V289-H347 HydrophobicContact CG2-CB 4.02Å; V289-H347 WeakPolarHBondContact CG2-O 3.42Å; V289-L348 HydrophobicContact CB-CD2 4.27Å; V289-L351 HydrophobicContact CG2-CD1 3.47Å; V289-L351 VanDerWaalsContact CG2-CD1 3.47Å
290	E	97	Very high	95.6	Very high	81 Å²	81	29 Å²	29	38%	0.379	18%	0.183	S	C	.	.	H	α-helix	trans	-71.5	-39.7	-178.5	-59.5	-54.2	137.1	0	0	111.3	G287 T288 L292 K293 V294	G287-E290 WeakPolarHBondContact O-CB 3.26Å; G287-E290 PolarHBondContact O-N 3.09Å; T288-E290 VanDerWaalsContact C-N 3.29Å; T288-E290 PolarHBondContact O-N 3.15Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3.11Å; E290-K293 PolarHBondContact O-N 2.94Å; E290-K293 IonicContact OE1-NZ 2.96Å; E290-K293 PolarHBondContact OE1-NZ 2.88Å; E290-K293 IonicContact OE2-NZ 3.46Å; E290-K293 PolarHBondContact OE2-NZ 2.82Å; E290-V294 WeakPolarHBondContact O-CG2 3.4Å; E290-V294 PolarHBondContact O-N 2.82Å; E290-V294 VanDerWaalsContact O-N 3.16Å
291	A	97.7	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.9	-44.7	170.8	0	0	0	0	0	111.7	W248 I273 I281 T288 K293 V294 V295	W248-A291 HydrophobicContact CH2-CB 4.13Å; W248-A291 HydrophobicContact CZ2-CB 4.06Å; I273-A291 HydrophobicContact CD1-CB 3.96Å; I273-A291 HydrophobicContact CG1-CB 4.14Å; I273-A291 HydrophobicContact CG2-CB 3.68Å; I281-A291 HydrophobicContact CB-CB 4.48Å; I281-A291 WeakPolarHBondContact O-CB 3.3Å; T288-A291 PolarHBondContact O-N 3.36Å; A291-K293 PolarHBondContact O-N 2.93Å; A291-V294 PolarHBondContact O-N 2.93Å; A291-V295 PolarHBondContact O-N 2.83Å; A291-V295 VanDerWaalsContact O-N 3.15Å
292	L	97.4	Very high	95.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-38.6	179.9	-177.7	56.3	0	0	0	112.3	I273 T288 V289 E290 V294 V295 L296 V309 L348 L351 I352	I273-L292 HydrophobicContact CD1-CB 4.15Å; I273-L292 HydrophobicContact CD1-CD1 4.48Å; T288-L292 PolarHBondContact O-N 3.35Å; V289-L292 PolarHBondContact O-N 3.1Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-L292 PolarHBondContact O-N 3.11Å; L292-V294 VanDerWaalsContact C-N 3.34Å; L292-V294 PolarHBondContact O-N 3.32Å; L292-V295 PolarHBondContact O-N 3.34Å; L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 2.88Å; L292-V309 HydrophobicContact CD1-CG1 4.39Å; L292-V309 HydrophobicContact CD1-CG2 3.87Å; L292-L348 HydrophobicContact CD2-CD2 3.99Å; L292-L351 HydrophobicContact CB-CD1 4.29Å; L292-L351 HydrophobicContact CD2-CB 3.47Å; L292-L351 VanDerWaalsContact CD2-CB 3.47Å; L292-L351 HydrophobicContact CD2-CD1 4.14Å; L292-L351 HydrophobicContact CD2-CG 4.45Å; L292-L351 HydrophobicContact CG-CB 3.88Å; L292-L351 HydrophobicContact CG-CD1 4.12Å; L292-I352 HydrophobicContact CD2-CG1 4.06Å
293	K	96.5	Very high	95.2	Very high	63 Å²	63	32.7 Å²	32.7	27%	0.274	20%	0.195	S	C	.	.	H	α-helix	trans	-57.5	-45.6	172.6	-73.3	172.1	-176.6	168.6	0	111.7	V289 E290 A291 V295 L296 D297 L351	V289-K293 WeakPolarHBondContact O-CG 3.26Å; V289-K293 PolarHBondContact O-N 2.83Å; E290-K293 PolarHBondContact O-N 2.94Å; E290-K293 IonicContact OE1-NZ 2.96Å; E290-K293 PolarHBondContact OE1-NZ 2.88Å; E290-K293 IonicContact OE2-NZ 3.46Å; E290-K293 PolarHBondContact OE2-NZ 2.82Å; A291-K293 PolarHBondContact O-N 2.93Å; K293-V295 VanDerWaalsContact C-N 3.32Å; K293-V295 PolarHBondContact O-N 3.25Å; K293-L296 WeakPolarHBondContact O-CB 3.47Å; K293-L296 PolarHBondContact O-N 3.26Å; K293-L296 VanDerWaalsContact O-N 3.12Å; K293-D297 PolarHBondContact O-N 3.45Å; K293-L351 HydrophobicContact CG-CD1 3.7Å
294	V	97.1	Very high	95	Very high	31 Å²	31	34.5 Å²	34.5	19%	0.188	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-42.8	177.1	175.9	0	0	0	0	111.4	W248 P250 I281 E290 A291 L292 L296 D297 I298	W248-V294 HydrophobicContact CH2-CB 4.35Å; W248-V294 HydrophobicContact CH2-CG1 4.37Å; W248-V294 HydrophobicContact CZ3-CB 4.27Å; W248-V294 HydrophobicContact CZ3-CG1 3.8Å; P250-V294 HydrophobicContact CG-CG1 3.95Å; I281-V294 HydrophobicContact CD1-CG1 4.31Å; I281-V294 HydrophobicContact CD1-CG2 4.41Å; I281-V294 HydrophobicContact CG2-CG2 4.24Å; E290-V294 WeakPolarHBondContact O-CG2 3.4Å; E290-V294 PolarHBondContact O-N 2.82Å; E290-V294 VanDerWaalsContact O-N 3.16Å; A291-V294 PolarHBondContact O-N 2.93Å; L292-V294 VanDerWaalsContact C-N 3.34Å; L292-V294 PolarHBondContact O-N 3.32Å; V294-L296 VanDerWaalsContact C-N 3.32Å; V294-L296 PolarHBondContact O-N 3.03Å; V294-D297 PolarHBondContact O-N 3.38Å; V294-I298 WeakPolarHBondContact O-CG1 3.31Å; V294-I298 PolarHBondContact O-N 3.33Å
295	V	97.2	Very high	94.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-40.3	176.3	179.1	0	0	0	0	111.5	W248 L253 V271 A291 L292 K293 I298 N299 V309 L355	W248-V295 HydrophobicContact CH2-CG2 3.97Å; W248-V295 HydrophobicContact CZ2-CG2 4.19Å; L253-V295 HydrophobicContact CD1-CG2 4.11Å; V271-V295 HydrophobicContact CB-CG2 4.19Å; V271-V295 HydrophobicContact CG1-CG2 3.8Å; V271-V295 HydrophobicContact CG2-CG1 4.44Å; V271-V295 HydrophobicContact CG2-CG2 4.48Å; A291-V295 PolarHBondContact O-N 2.83Å; A291-V295 VanDerWaalsContact O-N 3.15Å; L292-V295 PolarHBondContact O-N 3.34Å; K293-V295 VanDerWaalsContact C-N 3.32Å; K293-V295 PolarHBondContact O-N 3.25Å; V295-I298 PolarHBondContact O-N 3.48Å; V295-N299 WeakPolarHBondContact O-CB 3.38Å; V295-N299 PolarHBondContact O-N 2.96Å; V295-V309 HydrophobicContact CB-CG2 4.35Å; V295-V309 HydrophobicContact CG1-CG2 3.76Å; V295-L355 HydrophobicContact CG1-CD1 4.42Å
296	L	95.1	Very high	94.8	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-45.2	175.5	-71.2	171.2	0	0	0	112.1	L292 K293 V294 I298 N299 A300 L351 R354 L355 L358	L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 2.88Å; K293-L296 WeakPolarHBondContact O-CB 3.47Å; K293-L296 PolarHBondContact O-N 3.26Å; K293-L296 VanDerWaalsContact O-N 3.12Å; V294-L296 VanDerWaalsContact C-N 3.32Å; V294-L296 PolarHBondContact O-N 3.03Å; L296-I298 VanDerWaalsContact C-N 3.33Å; L296-I298 PolarHBondContact O-N 3.26Å; L296-N299 PolarHBondContact O-N 3.49Å; L296-A300 WeakPolarHBondContact O-CB 3.04Å; L296-A300 PolarHBondContact O-N 3.18Å; L296-L351 HydrophobicContact CD1-CB 3.73Å; L296-L351 HydrophobicContact CD1-CD1 4.32Å; L296-L351 HydrophobicContact CD1-CD2 3.68Å; L296-L351 HydrophobicContact CD1-CG 4.1Å; L296-R354 HydrophobicContact CD2-CB 4.32Å; L296-R354 HydrophobicContact CD2-CG 4.26Å; L296-L355 VanDerWaalsContact CD2-CA 3.43Å; L296-L355 HydrophobicContact CD2-CB 3.69Å; L296-L355 HydrophobicContact CD2-CD1 3.96Å; L296-L355 HydrophobicContact CD2-CG 4.46Å; L296-L358 HydrophobicContact CB-CD1 4.24Å; L296-L358 HydrophobicContact CD2-CD1 3.44Å; L296-L358 VanDerWaalsContact CD2-CD1 3.44Å; L296-L358 HydrophobicContact CG-CD1 4.46Å
297	D	94.2	Very high	94.9	Very high	102 Å²	102	32.7 Å²	32.7	55%	0.545	18%	0.181	S	C	.	.	H	α-helix	trans	-62.7	-41.5	178.9	-66.7	-19.5	0	0	0	111.4	K293 V294 A300 S301	K293-D297 PolarHBondContact O-N 3.45Å; V294-D297 PolarHBondContact O-N 3.38Å; D297-A300 PolarHBondContact O-N 2.95Å; D297-S301 PolarHBondContact O-N 2.72Å; D297-S301 VanDerWaalsContact O-N 3.12Å
298	I	95.3	Very high	95	Very high	7 Å²	7	32 Å²	32	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-46.5	173.7	-67.7	-50.7	0	0	0	111.2	P250 L253 R254 Q257 V294 V295 L296 A300 S301 R302	P250-I298 HydrophobicContact CB-CD1 3.99Å; L253-I298 HydrophobicContact CB-CG1 4.32Å; L253-I298 HydrophobicContact CB-CG2 3.94Å; L253-I298 HydrophobicContact CD1-CG1 4.37Å; R254-I298 HydrophobicContact CG-CD1 3.98Å; R254-I298 HydrophobicContact CG-CG2 4.34Å; Q257-I298 PolarHBondContact NE2-O 3.03Å; Q257-I298 VanDerWaalsContact OE1-CG2 3.26Å; V294-I298 WeakPolarHBondContact O-CG1 3.31Å; V294-I298 PolarHBondContact O-N 3.33Å; V295-I298 PolarHBondContact O-N 3.48Å; L296-I298 VanDerWaalsContact C-N 3.33Å; L296-I298 PolarHBondContact O-N 3.26Å; I298-A300 VanDerWaalsContact C-N 3.35Å; I298-A300 PolarHBondContact O-N 2.94Å; I298-S301 PolarHBondContact O-N 3.1Å; I298-S301 PolarHBondContact O-OG 3.47Å; I298-R302 PolarHBondContact O-N 3.48Å
299	N	95	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-39.1	177.8	-77.8	-10.6	0	0	0	112.3	Q257 V295 L296 S301 R302 P303 P306 L307 L355 L358	Q257-N299 PolarHBondContact NE2-OD1 3.01Å; V295-N299 WeakPolarHBondContact O-CB 3.38Å; V295-N299 PolarHBondContact O-N 2.96Å; L296-N299 PolarHBondContact O-N 3.49Å; N299-S301 PolarHBondContact O-N 3.41Å; N299-R302 CarbonylContact O-C 3.51Å; N299-R302 PolarHBondContact O-N 2.87Å; N299-P303 WeakPolarHBondContact O-CA 3.37Å; N299-P303 VanDerWaalsContact O-N 3.14Å; N299-P306 HydrophobicContact CB-CB 4.24Å; N299-P306 WeakPolarHBondContact OD1-CA 3.43Å; N299-L307 PolarHBondContact ND2-N 2.89Å; N299-L307 PolarHBondContact ND2-O 2.77Å; N299-L307 PolarHBondContact OD1-N 3.45Å; N299-L355 VanDerWaalsContact ND2-CD1 3.27Å; N299-L355 WeakPolarHBondContact ND2-CD1 3.44Å; N299-L358 HydrophobicContact CB-CB 4.41Å; N299-L358 HydrophobicContact CB-CD1 3.79Å
300	A	91.6	Very high	95.2	Very high	48 Å²	48	31.7 Å²	31.7	40%	0.397	17%	0.171	S	C	.	.	H	α-helix	trans	-63.7	-30.2	176.5	0	0	0	0	0	112.5	L296 D297 I298 R302 L358	L296-A300 WeakPolarHBondContact O-CB 3.04Å; L296-A300 PolarHBondContact O-N 3.18Å; D297-A300 PolarHBondContact O-N 2.95Å; I298-A300 VanDerWaalsContact C-N 3.35Å; I298-A300 PolarHBondContact O-N 2.94Å; A300-R302 VanDerWaalsContact C-N 3.26Å; A300-R302 PolarHBondContact O-N 3.38Å; A300-L358 HydrophobicContact CB-CD2 4.3Å
301	S	90.7	Very high	95.3	Very high	78 Å²	78	27.9 Å²	27.9	55%	0.545	15%	0.153	S	C	.	.	H	α-helix	trans	-72.3	-17.8	174.2	78.7	0	0	0	0	113.9	D297 I298 N299	D297-S301 PolarHBondContact O-N 2.72Å; D297-S301 VanDerWaalsContact O-N 3.12Å; I298-S301 PolarHBondContact O-N 3.1Å; I298-S301 PolarHBondContact O-OG 3.47Å; N299-S301 PolarHBondContact O-N 3.41Å
302	R	91.4	Very high	95.3	Very high	70 Å²	70	28.4 Å²	28.4	26%	0.264	16%	0.156	S	C	.	.			trans	-149	67.6	-179.2	-158.1	167.6	-162.6	163.6	8.3	112.6	I298 N299 A300 D304 R305	I298-R302 PolarHBondContact O-N 3.48Å; N299-R302 CarbonylContact O-C 3.51Å; N299-R302 PolarHBondContact O-N 2.87Å; A300-R302 VanDerWaalsContact C-N 3.26Å; A300-R302 PolarHBondContact O-N 3.38Å; R302-D304 WeakPolarHBondContact CG-OD1 3.39Å; R302-D304 PolarHBondContact O-N 2.64Å; R302-D304 VanDerWaalsContact O-N 3.16Å; R302-R305 HydrophobicContact CG-CB 4.27Å; R302-R305 CarbonylContact O-C 3.26Å; R302-R305 PolarHBondContact O-N 3.04Å
303	P	90.2	Very high	95.3	Very high	42 Å²	42	28.3 Å²	28.3	27%	0.273	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16	-172.9	27.7	-35.9	0	0	0	113.6	N299 R305 P306 L358 S359	N299-P303 WeakPolarHBondContact O-CA 3.37Å; N299-P303 VanDerWaalsContact O-N 3.14Å; P303-R305 PolarHBondContact O-N 2.91Å; P303-P306 WeakPolarHBondContact O-CD 3.22Å; P303-L358 WeakPolarHBondContact CA-O 3.37Å; P303-L358 WeakPolarHBondContact CB-O 3.37Å; P303-S359 WeakPolarHBondContact O-CA 3.21Å
304	D	91	Very high	95.3	Very high	90 Å²	90	25.4 Å²	25.4	48%	0.481	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-15	172.8	65.4	-59.2	0	0	0	113.1	S263 R302	S263-D304 WeakPolarHBondContact CB-O 3.23Å; S263-D304 PolarHBondContact N-O 3.39Å; R302-D304 WeakPolarHBondContact CG-OD1 3.39Å; R302-D304 PolarHBondContact O-N 2.64Å; R302-D304 VanDerWaalsContact O-N 3.16Å
305	R	93.9	Very high	95.2	Very high	47 Å²	47	23.9 Å²	23.9	18%	0.177	13%	0.134	C	C	.	.	S	Bend	trans	-139.8	60.3	-179.4	-60	178.7	-168.7	-168.5	-9	111.6	Q257 E258 T260 S266 R302 P303	Q257-R305 HydrophobicContact CB-CB 4.35Å; Q257-R305 WeakPolarHBondContact CG-O 3.31Å; Q257-R305 PolarHBondContact NE2-O 3.01Å; Q257-R305 WeakPolarHBondContact O-CD 3.49Å; Q257-R305 PolarHBondContact O-NH1 3.02Å; E258-R305 PolarHBondContact O-NH1 3.4Å; T260-R305 WeakPolarHBondContact O-CD 3.23Å; T260-R305 PolarHBondContact O-NE 2.69Å; T260-R305 PolarHBondContact O-NH1 2.88Å; S266-R305 VanDerWaalsContact OG-CA 3.29Å; S266-R305 WeakPolarHBondContact OG-CA 3.18Å; R302-R305 HydrophobicContact CG-CB 4.27Å; R302-R305 CarbonylContact O-C 3.26Å; R302-R305 PolarHBondContact O-N 3.04Å; P303-R305 PolarHBondContact O-N 2.91Å
306	P	95.1	Very high	95.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-75.4	146.2	-178.8	36.2	-36	0	0	0	110.1	P57 S266 T267 N299 P303	P57-P306 HydrophobicContact CG-CB 3.57Å; P57-P306 HydrophobicContact CG-CG 3.68Å; S266-P306 CarbonylContact C-O 3.09Å; S266-P306 VanDerWaalsContact C-O 3.26Å; S266-P306 VanDerWaalsContact CB-O 3.27Å; S266-P306 WeakPolarHBondContact CB-O 3.3Å; S266-P306 PolarHBondContact OG-O 3.38Å; T267-P306 HydrophobicContact CG2-CG 4.07Å; T267-P306 PolarHBondContact N-O 3.15Å; N299-P306 HydrophobicContact CB-CB 4.24Å; N299-P306 WeakPolarHBondContact OD1-CA 3.43Å; P303-P306 WeakPolarHBondContact O-CD 3.22Å
307	L	97.4	Very high	95.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-92	150.9	174.7	-54.5	177.1	0	0	0	110.4	L253 Q257 V269 V271 N299	L253-L307 HydrophobicContact CB-CD1 4.03Å; L253-L307 HydrophobicContact CD2-CD1 4.19Å; Q257-L307 HydrophobicContact CG-CD1 4.01Å; Q257-L307 HydrophobicContact CG-CD2 3.84Å; Q257-L307 HydrophobicContact CG-CG 3.77Å; V269-L307 HydrophobicContact CB-CD2 3.92Å; V269-L307 HydrophobicContact CG1-CD2 4.14Å; V271-L307 HydrophobicContact CG2-CB 3.94Å; V271-L307 HydrophobicContact CG2-CD1 3.8Å; N299-L307 PolarHBondContact ND2-N 2.89Å; N299-L307 PolarHBondContact ND2-O 2.77Å; N299-L307 PolarHBondContact OD1-N 3.45Å
308	S	98.1	Very high	95.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	170.2	172.1	-69.4	0	0	0	0	110.9	K58 T267 V269 F270 V271	K58-S308 PolarHBondContact N-OG 2.64Å; K58-S308 VanDerWaalsContact O-CB 3.25Å; K58-S308 WeakPolarHBondContact O-CB 3.34Å; T267-S308 WeakPolarHBondContact O-CB 3.21Å; T267-S308 PolarHBondContact O-OG 2.91Å; V269-S308 PolarHBondContact O-N 2.78Å; F270-S308 CarbonylContact C-O 3.5Å; F270-S308 WeakPolarHBondContact CA-O 3.41Å; V271-S308 PolarHBondContact N-O 2.75Å
309	V	98.6	Very high	95.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.2	-178.8	170.4	0	0	0	0	110.5	K58 V59 I60 I273 L292 V295 L311 L355	K58-V309 PolarHBondContact O-N 2.76Å; V59-V309 CarbonylContact C-O 3.59Å; V59-V309 WeakPolarHBondContact CA-O 3.3Å; I60-V309 PolarHBondContact N-O 2.87Å; I273-V309 HydrophobicContact CD1-CG1 3.68Å; I273-V309 HydrophobicContact CG1-CG1 4.19Å; L292-V309 HydrophobicContact CD1-CG1 4.39Å; L292-V309 HydrophobicContact CD1-CG2 3.87Å; V295-V309 HydrophobicContact CB-CG2 4.35Å; V295-V309 HydrophobicContact CG1-CG2 3.76Å; V309-L311 HydrophobicContact CG1-CD2 3.94Å; V309-L311 HydrophobicContact CG1-CG 4.34Å; V309-L355 HydrophobicContact CB-CD2 4Å; V309-L355 HydrophobicContact CG2-CD1 4.38Å; V309-L355 HydrophobicContact CG2-CD2 3.68Å
310	A	98.7	Very high	95.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.6	167	0	0	0	0	0	111.1	I60 F243 F270 V271 G272 I273 F312	I60-A310 HydrophobicContact CB-CB 3.73Å; I60-A310 HydrophobicContact CD1-CB 4.18Å; I60-A310 HydrophobicContact CG1-CB 4.49Å; I60-A310 HydrophobicContact CG2-CB 4.02Å; F243-A310 HydrophobicContact CD2-CB 3.69Å; F243-A310 HydrophobicContact CE1-CB 4.1Å; F243-A310 HydrophobicContact CE2-CB 3.22Å; F243-A310 HydrophobicContact CG-CB 4.31Å; F243-A310 HydrophobicContact CZ-CB 3.43Å; F243-A310 VanDerWaalsContact CZ-CB 3.43Å; F270-A310 HydrophobicContact CB-CB 4.04Å; V271-A310 PolarHBondContact O-N 3.06Å; G272-A310 CarbonylContact C-O 3.44Å; G272-A310 WeakPolarHBondContact CA-O 3.45Å; I273-A310 PolarHBondContact N-O 3.24Å; A310-F312 PolarHBondContact O-N 2.97Å
311	L	98.5	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	113.2	174	-56.8	177.4	0	0	0	108.4	V59 I60 C62 I273 T288 V309 P314 W345 L348 I352	V59-L311 HydrophobicContact CG1-CD1 4.26Å; V59-L311 HydrophobicContact CG1-CG 4.37Å; I60-L311 PolarHBondContact O-N 3.44Å; C62-L311 PolarHBondContact N-O 3.2Å; I273-L311 HydrophobicContact CB-CD2 4.16Å; I273-L311 HydrophobicContact CD1-CD2 4.32Å; I273-L311 HydrophobicContact CG2-CD2 4.46Å; T288-L311 HydrophobicContact CG2-CD2 4.13Å; V309-L311 HydrophobicContact CG1-CD2 3.94Å; V309-L311 HydrophobicContact CG1-CG 4.34Å; L311-P314 HydrophobicContact CB-CG 3.92Å; L311-W345 HydrophobicContact CD1-CH2 4.08Å; L311-W345 HydrophobicContact CD1-CZ3 4.12Å; L311-L348 HydrophobicContact CD1-CD1 4.22Å; L311-I352 HydrophobicContact CD1-CD1 4.49Å
312	F	98.1	Very high	95.7	Very high	11 Å²	11	32.3 Å²	32.3	5%	0.048	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.7	179.1	-174.8	-100.4	0	0	0	111.4	C62 D64 F99 F243 Y246 I273 C275 R278 A310 P314	C62-F312 HydrophobicContact CB-CD2 3.88Å; D64-F312 HydrophobicContact CB-CE1 4.3Å; D64-F312 HydrophobicContact CB-CE2 4.02Å; D64-F312 HydrophobicContact CB-CZ 3.76Å; D64-F312 WeakPolarHBondContact OD2-CE1 3.38Å; D64-F312 WeakPolarHBondContact OD2-CZ 3.45Å; F99-F312 HydrophobicContact CD1-CE2 4.29Å; F99-F312 HydrophobicContact CD1-CZ 4.42Å; F99-F312 HydrophobicContact CE1-CE2 4.29Å; F99-F312 HydrophobicContact CE1-CZ 4.17Å; F99-F312 HydrophobicContact CG-CE2 4.41Å; F99-F312 HydrophobicContact CZ-CE2 4.43Å; F243-F312 HydrophobicContact CZ-CB 4.23Å; F243-F312 HydrophobicContact CZ-CD2 4.37Å; Y246-F312 HydrophobicContact CE1-CB 3.62Å; Y246-F312 HydrophobicContact CE1-CD1 4.12Å; Y246-F312 HydrophobicContact CE1-CD2 4.5Å; Y246-F312 AromaticContact CE1-CG 3.83Å; Y246-F312 HydrophobicContact CE1-CG 3.83Å; Y246-F312 HydrophobicContact CE2-CD1 4.48Å; Y246-F312 AromaticContact CZ-CD1 3.71Å; Y246-F312 AromaticContact CZ-CG 3.74Å; Y246-F312 VanDerWaalsContact OH-CD1 3.26Å; Y246-F312 WeakPolarHBondContact OH-CD1 3.06Å; Y246-F312 VanDerWaalsContact OH-CD2 3.31Å; Y246-F312 WeakPolarHBondContact OH-CD2 3.32Å; Y246-F312 WeakPolarHBondContact OH-CE1 3.46Å; Y246-F312 WeakPolarHBondContact OH-CG 3.47Å; I273-F312 PolarHBondContact O-N 3.45Å; C275-F312 VanDerWaalsContact CB-O 3.29Å; C275-F312 WeakPolarHBondContact CB-O 3.34Å; C275-F312 PolarHBondContact N-O 3.22Å; C275-F312 PolarHBondContact SG-O 3.31Å; R278-F312 VanDerWaalsContact NH2-CE1 3.27Å; A310-F312 PolarHBondContact O-N 2.97Å; F312-P314 VanDerWaalsContact C-CD 3.49Å
313	A	97.3	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.			trans	51.6	50.2	-179.3	0	0	0	0	0	115.4	C62 D64 C275 F276 G315 W316	C62-A313 PolarHBondContact O-N 3.5Å; D64-A313 HydrophobicContact CB-CB 3.9Å; C275-A313 WeakPolarHBondContact CB-O 3.44Å; F276-A313 HydrophobicContact CD2-CB 3.61Å; F276-A313 HydrophobicContact CE2-CB 3.73Å; F276-A313 WeakPolarHBondContact CE2-O 3.33Å; A313-G315 PolarHBondContact O-N 3.42Å; A313-W316 PolarHBondContact O-N 2.88Å; A313-W316 VanDerWaalsContact O-N 3.13Å
314	P	97.1	Very high	96.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-10.4	174.8	-19.8	34.3	0	0	0	113.8	Y61 C62 L311 F312 W316 V317 W345	Y61-P314 HydrophobicContact CD2-CB 4.22Å; Y61-P314 HydrophobicContact CD2-CG 3.78Å; Y61-P314 HydrophobicContact CE1-CG 4.46Å; Y61-P314 HydrophobicContact CE2-CB 3.53Å; Y61-P314 HydrophobicContact CE2-CG 3.53Å; Y61-P314 HydrophobicContact CG-CG 4.31Å; C62-P314 WeakPolarHBondContact O-CD 3.2Å; L311-P314 HydrophobicContact CB-CG 3.92Å; F312-P314 VanDerWaalsContact C-CD 3.49Å; P314-W316 PolarHBondContact O-N 2.93Å; P314-V317 PolarHBondContact O-N 3.29Å; P314-W345 HydrophobicContact CB-CZ2 4.13Å
315	G	95.7	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-12.9	167.5	0	0	0	0	0	114.7	M65 A313 V317 F318 E319	M65-G315 VanDerWaalsContact SD-CA 3.59Å; A313-G315 PolarHBondContact O-N 3.42Å; G315-V317 PolarHBondContact O-N 3.15Å; G315-F318 WeakPolarHBondContact O-CB 2.97Å; G315-F318 PolarHBondContact O-N 3.14Å; G315-E319 PolarHBondContact O-N 3.17Å
316	W	97	Very high	96.1	Very high	37 Å²	37	36.6 Å²	36.6	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-41.6	-41.5	167.8	177.7	89.9	0	0	0	113.5	C275 F276 G285 F286 A313 P314 F318 E319 K320 M340 F344	C275-W316 HydrophobicContact CB-CB 4.23Å; F276-W316 HydrophobicContact CD2-CB 3.91Å; F276-W316 HydrophobicContact CE2-CB 3.67Å; F276-W316 HydrophobicContact CE2-CG 4.49Å; F276-W316 HydrophobicContact CZ-CB 4.16Å; G285-W316 VanDerWaalsContact CA-CD2 3.49Å; G285-W316 VanDerWaalsContact CA-CH2 3.46Å; F286-W316 AromaticContact CD2-CH2 3.88Å; F286-W316 HydrophobicContact CD2-CH2 3.88Å; F286-W316 AromaticContact CE2-CH2 3.91Å; F286-W316 HydrophobicContact CE2-CH2 3.91Å; F286-W316 HydrophobicContact CE2-CZ3 4.43Å; F286-W316 HydrophobicContact CG-CH2 4.3Å; F286-W316 HydrophobicContact CZ-CH2 4.34Å; F286-W316 HydrophobicContact CZ-CZ3 4.42Å; A313-W316 PolarHBondContact O-N 2.88Å; A313-W316 VanDerWaalsContact O-N 3.13Å; P314-W316 PolarHBondContact O-N 2.93Å; W316-F318 PolarHBondContact O-N 2.67Å; W316-E319 PolarHBondContact O-N 2.99Å; W316-K320 HydrophobicContact CD2-CB 4.35Å; W316-K320 HydrophobicContact CD2-CG 4.47Å; W316-K320 HydrophobicContact CG-CB 4.48Å; W316-K320 HydrophobicContact CG-CG 4.16Å; W316-K320 HydrophobicContact CZ2-CB 4.3Å; W316-K320 WeakPolarHBondContact O-CB 3.4Å; W316-K320 PolarHBondContact O-N 3.14Å; W316-M340 HydrophobicContact CE3-CE 3.94Å; W316-M340 HydrophobicContact CH2-CE 3.37Å; W316-M340 HydrophobicContact CZ2-CE 4Å; W316-M340 HydrophobicContact CZ3-CE 3.35Å; W316-F344 HydrophobicContact CE3-CD2 4.02Å; W316-F344 HydrophobicContact CE3-CE2 4.2Å; W316-F344 AromaticContact CZ3-CD2 3.96Å; W316-F344 HydrophobicContact CZ3-CD2 3.96Å; W316-F344 HydrophobicContact CZ3-CE2 4.5Å
317	V	94	Very high	96	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.03	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-32.7	179.9	-62.5	0	0	0	0	112.8	F85 P314 G315 C321 M340 N341 F344	F85-V317 HydrophobicContact CE2-CG2 4.43Å; P314-V317 PolarHBondContact O-N 3.29Å; G315-V317 PolarHBondContact O-N 3.15Å; V317-C321 WeakPolarHBondContact O-CB 3.43Å; V317-M340 VanDerWaalsContact O-SD 3.38Å; V317-N341 HydrophobicContact CG2-CB 4.46Å; V317-F344 HydrophobicContact CG1-CB 3.47Å; V317-F344 VanDerWaalsContact CG1-CB 3.47Å; V317-F344 HydrophobicContact CG1-CD1 3.61Å; V317-F344 HydrophobicContact CG1-CD2 3.83Å; V317-F344 HydrophobicContact CG1-CE1 4.27Å; V317-F344 HydrophobicContact CG1-CE2 4.45Å; V317-F344 HydrophobicContact CG1-CG 3.35Å
318	F	95.3	Very high	95.8	Very high	56 Å²	56	44.5 Å²	44.5	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-88.5	-44.9	-179.5	-169.1	-80.4	0	0	0	111.1	M65 F85 G315 W316 K320 L337	M65-F318 HydrophobicContact CE-CB 4.03Å; M65-F318 HydrophobicContact CE-CD1 3.4Å; M65-F318 HydrophobicContact CE-CE1 4.08Å; M65-F318 HydrophobicContact CE-CG 3.91Å; M65-F318 HydrophobicContact SD-CB 4.35Å; F85-F318 HydrophobicContact CB-CD2 4.14Å; F85-F318 HydrophobicContact CB-CE2 4.29Å; F85-F318 HydrophobicContact CB-CG 4.39Å; F85-F318 HydrophobicContact CD2-CB 3.63Å; F85-F318 AromaticContact CD2-CD2 3.91Å; F85-F318 HydrophobicContact CD2-CD2 3.91Å; F85-F318 AromaticContact CD2-CG 3.88Å; F85-F318 HydrophobicContact CD2-CG 3.88Å; F85-F318 HydrophobicContact CE2-CB 4.14Å; G315-F318 WeakPolarHBondContact O-CB 2.97Å; G315-F318 PolarHBondContact O-N 3.14Å; W316-F318 PolarHBondContact O-N 2.67Å; F318-K320 VanDerWaalsContact C-N 3.33Å; F318-K320 PolarHBondContact O-N 3.11Å; F318-L337 HydrophobicContact CB-CD2 4.33Å; F318-L337 HydrophobicContact CD2-CD1 4.05Å; F318-L337 HydrophobicContact CD2-CD2 3.79Å; F318-L337 HydrophobicContact CD2-CG 4.49Å; F318-L337 HydrophobicContact CE2-CD1 3.72Å; F318-L337 HydrophobicContact CE2-CD2 4.3Å; F318-L337 HydrophobicContact CG-CD2 4.06Å; F318-L337 HydrophobicContact CZ-CD1 4.3Å
319	E	96.2	Very high	95.5	Very high	79 Å²	79	47 Å²	47	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-72.8	-23.1	-176.2	-64.8	-170.8	-119.1	0	0	113.9	M65 A66 F276 G315 W316	M65-E319 HydrophobicContact CE-CG 3.7Å; M65-E319 HydrophobicContact SD-CG 3.97Å; A66-E319 PolarHBondContact N-OE1 2.8Å; F276-E319 HydrophobicContact CZ-CB 4.13Å; G315-E319 PolarHBondContact O-N 3.17Å; W316-E319 PolarHBondContact O-N 2.99Å
320	K	96	Very high	95.1	Very high	123 Å²	123	49.4 Å²	49.4	54%	0.535	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	6.3	-178.9	-61.2	-56.4	-172.8	-170.8	0	114.6	F276 W316 F318 D322 M340	F276-K320 HydrophobicContact CE1-CG 4.46Å; W316-K320 HydrophobicContact CD2-CB 4.35Å; W316-K320 HydrophobicContact CD2-CG 4.47Å; W316-K320 HydrophobicContact CG-CB 4.48Å; W316-K320 HydrophobicContact CG-CG 4.16Å; W316-K320 HydrophobicContact CZ2-CB 4.3Å; W316-K320 WeakPolarHBondContact O-CB 3.4Å; W316-K320 PolarHBondContact O-N 3.14Å; F318-K320 VanDerWaalsContact C-N 3.33Å; F318-K320 PolarHBondContact O-N 3.11Å; K320-D322 PolarHBondContact O-N 2.92Å; K320-M340 HydrophobicContact CB-CE 4.39Å
321	C	94.7	Very high	94.6	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.128	30%	0.295	C	S	.	.			trans	-65.6	127.5	174.6	-165	0	0	0	0	110.8	V317 L323 L337 M340	V317-C321 WeakPolarHBondContact O-CB 3.43Å; C321-L323 HydrophobicContact CB-CD2 4.08Å; C321-L323 PolarHBondContact O-N 2.91Å; C321-L323 VanDerWaalsContact O-N 3.1Å; C321-L337 HydrophobicContact CB-CD2 3.45Å; C321-L337 VanDerWaalsContact CB-CD2 3.45Å; C321-L337 HydrophobicContact CB-CG 4.31Å; C321-M340 WeakPolarHBondContact CA-SD 3.4Å; C321-M340 HydrophobicContact CB-SD 3.55Å; C321-M340 VanDerWaalsContact CB-SD 3.55Å; C321-M340 VanDerWaalsContact SG-SD 3.69Å
322	D	95	Very high	94.1	Very high	97 Å²	97	57.6 Å²	57.6	52%	0.519	32%	0.319	S	S	.	.			trans	-76.4	98.2	173.8	179.6	8.2	0	0	0	110	K320 T324	K320-D322 PolarHBondContact O-N 2.92Å; D322-T324 VanDerWaalsContact C-N 3.32Å; D322-T324 VanDerWaalsContact CG-OG1 3.28Å; D322-T324 VanDerWaalsContact OD1-CB 3.24Å; D322-T324 WeakPolarHBondContact OD1-CB 2.98Å; D322-T324 WeakPolarHBondContact OD1-CG2 3.46Å; D322-T324 PolarHBondContact OD1-N 3.11Å; D322-T324 PolarHBondContact OD1-OG1 3.01Å; D322-T324 PolarHBondContact OD2-OG1 3.4Å
323	L	95.1	Very high	93.9	Very high	68 Å²	68	57.5 Å²	57.5	36%	0.356	32%	0.32	S	S	.	.			trans	-88.2	6.1	179.8	-56.2	-177.6	0	0	0	113.3	C321 K325 A326 A333 L336 L337	C321-L323 HydrophobicContact CB-CD2 4.08Å; C321-L323 PolarHBondContact O-N 2.91Å; C321-L323 VanDerWaalsContact O-N 3.1Å; L323-K325 PolarHBondContact O-N 2.96Å; L323-A326 VanDerWaalsContact O-CB 3.24Å; L323-A326 WeakPolarHBondContact O-CB 3.38Å; L323-A326 PolarHBondContact O-N 3.47Å; L323-A333 HydrophobicContact CD1-CB 4.42Å; L323-A333 HydrophobicContact CD2-CB 4.2Å; L323-L336 HydrophobicContact CD2-CB 4.31Å; L323-L337 HydrophobicContact CD2-CD1 4.45Å; L323-L337 HydrophobicContact CD2-CD2 4.46Å; L323-L337 HydrophobicContact CD2-CG 4.04Å
324	T	95	Very high	93.6	Very high	107 Å²	107	57.8 Å²	57.8	66%	0.656	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-58.1	-38.4	179	56.9	0	0	0	0	111.9	D322 A326 A327	D322-T324 VanDerWaalsContact C-N 3.32Å; D322-T324 VanDerWaalsContact CG-OG1 3.28Å; D322-T324 VanDerWaalsContact OD1-CB 3.24Å; D322-T324 WeakPolarHBondContact OD1-CB 2.98Å; D322-T324 WeakPolarHBondContact OD1-CG2 3.46Å; D322-T324 PolarHBondContact OD1-N 3.11Å; D322-T324 PolarHBondContact OD1-OG1 3.01Å; D322-T324 PolarHBondContact OD2-OG1 3.4Å; T324-A326 PolarHBondContact O-N 3.31Å; T324-A327 PolarHBondContact O-N 3.02Å
325	K	91.8	Very high	93.1	Very high	162 Å²	162	59.6 Å²	59.6	70%	0.704	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64.5	-20.6	175.9	-67.2	-178	-177.7	177.3	0	113.9	L323 A327 L336	L323-K325 PolarHBondContact O-N 2.96Å; K325-A327 VanDerWaalsContact C-N 3.26Å; K325-L336 HydrophobicContact CB-CD1 3.96Å
326	A	92.4	Very high	92.9	Very high	2 Å²	2	61.4 Å²	61.4	2%	0.017	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-72.4	-23.3	174	0	0	0	0	0	112	L323 T324 G328 D329 K332 A333 L336	L323-A326 VanDerWaalsContact O-CB 3.24Å; L323-A326 WeakPolarHBondContact O-CB 3.38Å; L323-A326 PolarHBondContact O-N 3.47Å; T324-A326 PolarHBondContact O-N 3.31Å; A326-G328 PolarHBondContact O-N 2.96Å; A326-G328 VanDerWaalsContact O-N 3.15Å; A326-D329 WeakPolarHBondContact O-CB 3.29Å; A326-D329 PolarHBondContact O-N 3.35Å; A326-K332 HydrophobicContact CB-CB 3.94Å; A326-A333 HydrophobicContact CB-CB 3.81Å; A326-L336 HydrophobicContact CB-CD1 4.09Å
327	A	94.4	Very high	92.7	Very high	91 Å²	91	60.3 Å²	60.3	75%	0.752	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	36.5	-179.3	0	0	0	0	0	113.7	T324 K325 D329	T324-A327 PolarHBondContact O-N 3.02Å; K325-A327 VanDerWaalsContact C-N 3.26Å; A327-D329 VanDerWaalsContact C-N 3.28Å; A327-D329 PolarHBondContact O-N 3.01Å
328	G	91.9	Very high	92.5	Very high	75 Å²	75	60.4 Å²	60.4	77%	0.773	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-3.1	-178	0	0	0	0	0	115.2	A326 P330	A326-G328 PolarHBondContact O-N 2.96Å; A326-G328 VanDerWaalsContact O-N 3.15Å; G328-P330 VanDerWaalsContact O-CD 3.32Å; G328-P330 WeakPolarHBondContact O-CD 3.34Å
329	D	91.8	Very high	92.1	Very high	53 Å²	53	61 Å²	61	28%	0.283	35%	0.345	S	S	.	.			trans	-74.5	113	173.6	-178.6	-15.4	0	0	0	109.9	A326 A327 I331 K332 A333	A326-D329 WeakPolarHBondContact O-CB 3.29Å; A326-D329 PolarHBondContact O-N 3.35Å; A327-D329 VanDerWaalsContact C-N 3.28Å; A327-D329 PolarHBondContact O-N 3.01Å; D329-I331 PolarHBondContact O-N 3.47Å; D329-I331 VanDerWaalsContact OD1-CB 3.27Å; D329-I331 WeakPolarHBondContact OD1-CB 3.08Å; D329-I331 WeakPolarHBondContact OD1-CG1 3.02Å; D329-I331 PolarHBondContact OD1-N 3.02Å; D329-K332 HydrophobicContact CB-CB 4.1Å; D329-K332 HydrophobicContact CB-CD 3.98Å; D329-K332 HydrophobicContact CB-CG 4.12Å; D329-K332 PolarHBondContact O-N 2.79Å; D329-K332 PolarHBondContact OD1-N 3.2Å; D329-K332 WeakPolarHBondContact OD2-CD 3.43Å; D329-K332 VanDerWaalsContact OD2-CE 3.32Å; D329-K332 WeakPolarHBondContact OD2-CE 3.47Å; D329-K332 WeakPolarHBondContact OD2-CG 3.28Å; D329-A333 WeakPolarHBondContact O-CB 3.07Å; D329-A333 PolarHBondContact O-N 3.2Å
330	P	90.1	Very high	91.8	Very high	51 Å²	51	58.4 Å²	58.4	33%	0.331	33%	0.333	S	S	.	.	H	α-helix	trans	-66.1	-25.4	-177	28.7	-35.9	0	0	0	112.7	F82 G328 F334	F82-P330 HydrophobicContact CD1-CB 3.83Å; F82-P330 HydrophobicContact CE1-CB 4Å; F82-P330 WeakPolarHBondContact CE1-O 3.41Å; G328-P330 VanDerWaalsContact O-CD 3.32Å; G328-P330 WeakPolarHBondContact O-CD 3.34Å; P330-F334 WeakPolarHBondContact O-CB 3.08Å; P330-F334 PolarHBondContact O-N 2.87Å
331	I	88.1	Confident	91.6	Very high	60 Å²	60	53.3 Å²	53.3	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-69	-49.6	177.6	-50.8	-168.7	0	0	0	109.6	D329 A333 F334 S335 Y420 L456	D329-I331 PolarHBondContact O-N 3.47Å; D329-I331 VanDerWaalsContact OD1-CB 3.27Å; D329-I331 WeakPolarHBondContact OD1-CB 3.08Å; D329-I331 WeakPolarHBondContact OD1-CG1 3.02Å; D329-I331 PolarHBondContact OD1-N 3.02Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 2.93Å; I331-F334 WeakPolarHBondContact O-CB 3.29Å; I331-F334 PolarHBondContact O-N 2.83Å; I331-S335 PolarHBondContact O-N 2.83Å; I331-S335 PolarHBondContact O-OG 3.37Å; I331-Y420 HydrophobicContact CD1-CE2 4.34Å; I331-Y420 VanDerWaalsContact CD1-OH 3.29Å; I331-Y420 WeakPolarHBondContact CD1-OH 3.45Å; I331-L456 HydrophobicContact CB-CD2 3.76Å; I331-L456 HydrophobicContact CD1-CD2 4Å; I331-L456 HydrophobicContact CG1-CD2 3.46Å; I331-L456 VanDerWaalsContact CG1-CD2 3.46Å; I331-L456 HydrophobicContact CG2-CB 4.42Å; I331-L456 HydrophobicContact CG2-CD2 3.61Å
332	K	89.3	Confident	91.2	Very high	113 Å²	113	53.6 Å²	53.6	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-38.8	175.8	-68.5	177.4	-171.8	173.1	0	111.4	A326 D329 F334 S335 L336	A326-K332 HydrophobicContact CB-CB 3.94Å; D329-K332 HydrophobicContact CB-CB 4.1Å; D329-K332 HydrophobicContact CB-CD 3.98Å; D329-K332 HydrophobicContact CB-CG 4.12Å; D329-K332 PolarHBondContact O-N 2.79Å; D329-K332 PolarHBondContact OD1-N 3.2Å; D329-K332 WeakPolarHBondContact OD2-CD 3.43Å; D329-K332 VanDerWaalsContact OD2-CE 3.32Å; D329-K332 WeakPolarHBondContact OD2-CE 3.47Å; D329-K332 WeakPolarHBondContact OD2-CG 3.28Å; K332-F334 VanDerWaalsContact C-N 3.34Å; K332-F334 PolarHBondContact O-N 3.37Å; K332-S335 PolarHBondContact O-N 3.05Å; K332-L336 WeakPolarHBondContact O-CG 3.22Å; K332-L336 PolarHBondContact O-N 3.28Å
333	A	92.6	Very high	90.9	Very high	9 Å²	9	54.2 Å²	54.2	7%	0.074	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-45.8	175.6	0	0	0	0	0	111.3	P83 L323 A326 D329 I331 L336 L337	P83-A333 HydrophobicContact CG-CB 4.23Å; L323-A333 HydrophobicContact CD1-CB 4.42Å; L323-A333 HydrophobicContact CD2-CB 4.2Å; A326-A333 HydrophobicContact CB-CB 3.81Å; D329-A333 WeakPolarHBondContact O-CB 3.07Å; D329-A333 PolarHBondContact O-N 3.2Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 2.93Å; A333-L336 PolarHBondContact O-N 2.81Å; A333-L337 WeakPolarHBondContact O-CD1 3.19Å; A333-L337 WeakPolarHBondContact O-CG 3.2Å; A333-L337 PolarHBondContact O-N 2.72Å
334	F	91.6	Very high	90.8	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-45.2	174.8	179.7	-106.1	0	0	0	112.4	F82 P83 P330 I331 K332 L336 L337 A338 Q402 Q454 L456 T466	F82-F334 HydrophobicContact CE1-CB 4.23Å; F82-F334 HydrophobicContact CE2-CB 4.1Å; F82-F334 AromaticContact CE2-CD2 3.9Å; F82-F334 HydrophobicContact CE2-CD2 3.9Å; F82-F334 AromaticContact CE2-CG 3.91Å; F82-F334 HydrophobicContact CE2-CG 3.91Å; F82-F334 HydrophobicContact CZ-CB 3.49Å; F82-F334 VanDerWaalsContact CZ-CB 3.49Å; F82-F334 HydrophobicContact CZ-CD1 4.25Å; F82-F334 HydrophobicContact CZ-CD2 4.17Å; F82-F334 AromaticContact CZ-CG 3.7Å; F82-F334 HydrophobicContact CZ-CG 3.7Å; P83-F334 HydrophobicContact CB-CB 4.11Å; P83-F334 HydrophobicContact CB-CD2 4Å; P330-F334 WeakPolarHBondContact O-CB 3.08Å; P330-F334 PolarHBondContact O-N 2.87Å; I331-F334 WeakPolarHBondContact O-CB 3.29Å; I331-F334 PolarHBondContact O-N 2.83Å; K332-F334 VanDerWaalsContact C-N 3.34Å; K332-F334 PolarHBondContact O-N 3.37Å; F334-L336 PolarHBondContact O-N 3.09Å; F334-L337 PolarHBondContact O-N 3.06Å; F334-A338 WeakPolarHBondContact O-CB 3.35Å; F334-A338 PolarHBondContact O-N 3.07Å; F334-Q402 VanDerWaalsContact CE2-CD 3.47Å; F334-Q402 HydrophobicContact CE2-CG 3.97Å; F334-Q402 HydrophobicContact CZ-CG 4.44Å; F334-Q454 HydrophobicContact CE1-CB 3.9Å; F334-Q454 WeakPolarHBondContact CE1-O 3.19Å; F334-Q454 HydrophobicContact CZ-CB 3.77Å; F334-L456 HydrophobicContact CD1-CB 4.36Å; F334-T466 HydrophobicContact CE1-CG2 3.87Å; F334-T466 HydrophobicContact CZ-CG2 3.81Å
335	S	87.8	Confident	90.6	Very high	38 Å²	38	46.2 Å²	46.2	27%	0.266	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-44.5	177.4	-61.7	0	0	0	0	112.4	I331 K332 L337 A338 E339	I331-S335 PolarHBondContact O-N 2.83Å; I331-S335 PolarHBondContact O-OG 3.37Å; K332-S335 PolarHBondContact O-N 3.05Å; S335-L337 PolarHBondContact O-N 3.3Å; S335-A338 PolarHBondContact O-N 2.75Å; S335-E339 VanDerWaalsContact O-CG 3.32Å; S335-E339 WeakPolarHBondContact O-CG 3.08Å; S335-E339 PolarHBondContact O-N 3.13Å
336	L	90.8	Very high	90.4	Very high	39 Å²	39	39.1 Å²	39.1	20%	0.204	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-41.2	176.9	-69.1	169	0	0	0	112.1	L323 K325 A326 K332 A333 F334 E339 M340	L323-L336 HydrophobicContact CD2-CB 4.31Å; K325-L336 HydrophobicContact CB-CD1 3.96Å; A326-L336 HydrophobicContact CB-CD1 4.09Å; K332-L336 WeakPolarHBondContact O-CG 3.22Å; K332-L336 PolarHBondContact O-N 3.28Å; A333-L336 PolarHBondContact O-N 2.81Å; F334-L336 PolarHBondContact O-N 3.09Å; L336-E339 PolarHBondContact O-N 2.77Å; L336-M340 WeakPolarHBondContact O-CB 3.32Å; L336-M340 PolarHBondContact O-N 3.22Å
337	L	92.7	Very high	90.3	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-44.5	175.9	-74.6	163.8	0	0	0	111.8	P83 F318 C321 L323 A333 F334 S335 M340 N341	P83-L337 HydrophobicContact CB-CD1 3.7Å; P83-L337 HydrophobicContact CG-CD1 3.45Å; P83-L337 VanDerWaalsContact CG-CD1 3.45Å; F318-L337 HydrophobicContact CB-CD2 4.33Å; F318-L337 HydrophobicContact CD2-CD1 4.05Å; F318-L337 HydrophobicContact CD2-CD2 3.79Å; F318-L337 HydrophobicContact CD2-CG 4.49Å; F318-L337 HydrophobicContact CE2-CD1 3.72Å; F318-L337 HydrophobicContact CE2-CD2 4.3Å; F318-L337 HydrophobicContact CG-CD2 4.06Å; F318-L337 HydrophobicContact CZ-CD1 4.3Å; C321-L337 HydrophobicContact CB-CD2 3.45Å; C321-L337 VanDerWaalsContact CB-CD2 3.45Å; C321-L337 HydrophobicContact CB-CG 4.31Å; L323-L337 HydrophobicContact CD2-CD1 4.45Å; L323-L337 HydrophobicContact CD2-CD2 4.46Å; L323-L337 HydrophobicContact CD2-CG 4.04Å; A333-L337 WeakPolarHBondContact O-CD1 3.19Å; A333-L337 WeakPolarHBondContact O-CG 3.2Å; A333-L337 PolarHBondContact O-N 2.72Å; F334-L337 PolarHBondContact O-N 3.06Å; S335-L337 PolarHBondContact O-N 3.3Å; L337-M340 PolarHBondContact O-N 3.46Å; L337-N341 VanDerWaalsContact O-CB 3.26Å; L337-N341 WeakPolarHBondContact O-CB 3.49Å; L337-N341 PolarHBondContact O-N 3.43Å
338	A	88.7	Confident	90.3	Very high	8 Å²	8	36.4 Å²	36.4	7%	0.066	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-44.7	177.4	0	0	0	0	0	111.1	F334 S335 N341 T342 V453 Q454	F334-A338 WeakPolarHBondContact O-CB 3.35Å; F334-A338 PolarHBondContact O-N 3.07Å; S335-A338 PolarHBondContact O-N 2.75Å; A338-N341 PolarHBondContact O-N 2.69Å; A338-T342 WeakPolarHBondContact O-CB 3.32Å; A338-T342 PolarHBondContact O-N 3.32Å; A338-T342 PolarHBondContact O-OG1 2.74Å; A338-V453 HydrophobicContact CB-CG1 4.15Å; A338-Q454 HydrophobicContact CB-CB 4.45Å
339	E	87.2	Confident	90.3	Very high	67 Å²	67	33.7 Å²	33.7	31%	0.313	18%	0.175	S	C	.	.	H	α-helix	trans	-61	-46.8	175.2	-74.3	-178.7	168.1	0	0	112.6	S335 L336 N341 T342 K343 V453 R471	S335-E339 VanDerWaalsContact O-CG 3.32Å; S335-E339 WeakPolarHBondContact O-CG 3.08Å; S335-E339 PolarHBondContact O-N 3.13Å; L336-E339 PolarHBondContact O-N 2.77Å; E339-N341 VanDerWaalsContact C-N 3.33Å; E339-N341 PolarHBondContact O-N 2.81Å; E339-T342 PolarHBondContact O-N 2.75Å; E339-K343 WeakPolarHBondContact O-CB 3.44Å; E339-K343 PolarHBondContact O-N 3.42Å; E339-V453 HydrophobicContact CG-CG2 3.73Å; E339-R471 IonicContact OE1-CZ 3.95Å; E339-R471 VanDerWaalsContact OE1-CZ 3.29Å; E339-R471 IonicContact OE1-NH1 3.19Å; E339-R471 PolarHBondContact OE1-NH1 2.89Å; E339-R471 IonicContact OE1-NH2 3.73Å; E339-R471 PolarHBondContact OE1-NH2 3.03Å
340	M	90.9	Very high	90.1	Very high	25 Å²	25	32.2 Å²	32.2	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-41.4	179	-176.3	165.2	178.5	0	0	111.6	F286 W316 V317 K320 C321 L336 L337 K343 F344	F286-M340 HydrophobicContact CZ-CG 4.3Å; W316-M340 HydrophobicContact CE3-CE 3.94Å; W316-M340 HydrophobicContact CH2-CE 3.37Å; W316-M340 HydrophobicContact CZ2-CE 4Å; W316-M340 HydrophobicContact CZ3-CE 3.35Å; V317-M340 VanDerWaalsContact O-SD 3.38Å; K320-M340 HydrophobicContact CB-CE 4.39Å; C321-M340 WeakPolarHBondContact CA-SD 3.4Å; C321-M340 HydrophobicContact CB-SD 3.55Å; C321-M340 VanDerWaalsContact CB-SD 3.55Å; C321-M340 VanDerWaalsContact SG-SD 3.69Å; L336-M340 WeakPolarHBondContact O-CB 3.32Å; L336-M340 PolarHBondContact O-N 3.22Å; L337-M340 PolarHBondContact O-N 3.46Å; M340-K343 PolarHBondContact O-N 2.96Å; M340-F344 WeakPolarHBondContact O-CB 3.45Å; M340-F344 PolarHBondContact O-N 2.77Å
341	N	91.3	Very high	90.2	Very high	17 Å²	17	31.1 Å²	31.1	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-50.8	175.7	-179.8	75.2	0	0	0	111.3	H89 V317 L337 A338 E339 K343 F344 W345	H89-N341 PolarHBondContact NE2-ND2 3.46Å; H89-N341 VanDerWaalsContact NE2-ND2 3.17Å; V317-N341 HydrophobicContact CG2-CB 4.46Å; L337-N341 VanDerWaalsContact O-CB 3.26Å; L337-N341 WeakPolarHBondContact O-CB 3.49Å; L337-N341 PolarHBondContact O-N 3.43Å; A338-N341 PolarHBondContact O-N 2.69Å; E339-N341 VanDerWaalsContact C-N 3.33Å; E339-N341 PolarHBondContact O-N 2.81Å; N341-K343 VanDerWaalsContact C-N 3.31Å; N341-K343 PolarHBondContact O-N 2.74Å; N341-F344 PolarHBondContact O-N 3.49Å; N341-W345 PolarHBondContact O-N 3.29Å; N341-W345 PolarHBondContact OD1-NE1 2.75Å; N341-W345 VanDerWaalsContact OD1-NE1 3.16Å
342	T	87.2	Confident	90.5	Very high	24 Å²	24	28.3 Å²	28.3	15%	0.147	15%	0.146	C	C	.	.	H	α-helix	trans	-56.7	-46.4	177	-65.6	0	0	0	0	111.1	A338 E339 F344 W345 S346 T452	A338-T342 WeakPolarHBondContact O-CB 3.32Å; A338-T342 PolarHBondContact O-N 3.32Å; A338-T342 PolarHBondContact O-OG1 2.74Å; E339-T342 PolarHBondContact O-N 2.75Å; T342-F344 PolarHBondContact O-N 2.79Å; T342-W345 PolarHBondContact O-N 2.8Å; T342-S346 WeakPolarHBondContact O-CB 3.45Å; T342-S346 PolarHBondContact O-N 3.07Å; T342-T452 WeakPolarHBondContact CB-O 3.47Å; T342-T452 WeakPolarHBondContact CG2-O 3.27Å; T342-T452 PolarHBondContact OG1-O 2.98Å
343	K	88.1	Confident	90.6	Very high	110 Å²	110	23.1 Å²	23.1	48%	0.478	12%	0.124	S	C	.	.	H	α-helix	trans	-60.8	-45.5	177.5	-174.1	176.8	179	176.1	0	112.3	F286 E339 M340 N341 S346	F286-K343 HydrophobicContact CD1-CG 4.48Å; F286-K343 HydrophobicContact CE1-CB 4.14Å; F286-K343 HydrophobicContact CE1-CD 3.84Å; F286-K343 HydrophobicContact CE1-CG 3.72Å; F286-K343 HydrophobicContact CZ-CD 3.85Å; F286-K343 HydrophobicContact CZ-CG 4.23Å; E339-K343 WeakPolarHBondContact O-CB 3.44Å; E339-K343 PolarHBondContact O-N 3.42Å; M340-K343 PolarHBondContact O-N 2.96Å; N341-K343 VanDerWaalsContact C-N 3.31Å; N341-K343 PolarHBondContact O-N 2.74Å; K343-S346 PolarHBondContact O-N 3.24Å; K343-S346 PolarHBondContact O-OG 3.11Å
344	F	92.8	Very high	90.5	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.013	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-49.7	179.3	175.6	-94.5	0	0	0	111.9	G285 F286 T288 W316 V317 M340 N341 T342 S346 H347 L348	G285-F344 WeakPolarHBondContact O-CE2 3.49Å; F286-F344 HydrophobicContact CE1-CB 4.22Å; T288-F344 HydrophobicContact CG2-CZ 4.31Å; W316-F344 HydrophobicContact CE3-CD2 4.02Å; W316-F344 HydrophobicContact CE3-CE2 4.2Å; W316-F344 AromaticContact CZ3-CD2 3.96Å; W316-F344 HydrophobicContact CZ3-CD2 3.96Å; W316-F344 HydrophobicContact CZ3-CE2 4.5Å; V317-F344 HydrophobicContact CG1-CB 3.47Å; V317-F344 VanDerWaalsContact CG1-CB 3.47Å; V317-F344 HydrophobicContact CG1-CD1 3.61Å; V317-F344 HydrophobicContact CG1-CD2 3.83Å; V317-F344 HydrophobicContact CG1-CE1 4.27Å; V317-F344 HydrophobicContact CG1-CE2 4.45Å; V317-F344 HydrophobicContact CG1-CG 3.35Å; M340-F344 WeakPolarHBondContact O-CB 3.45Å; M340-F344 PolarHBondContact O-N 2.77Å; N341-F344 PolarHBondContact O-N 3.49Å; T342-F344 PolarHBondContact O-N 2.79Å; F344-S346 VanDerWaalsContact C-N 3.33Å; F344-S346 PolarHBondContact O-N 3.34Å; F344-H347 PolarHBondContact O-N 2.92Å; F344-L348 HydrophobicContact CD1-CD1 4.11Å; F344-L348 HydrophobicContact CE1-CD1 3.46Å; F344-L348 VanDerWaalsContact CE1-CD1 3.46Å; F344-L348 HydrophobicContact CE2-CD1 4.4Å; F344-L348 HydrophobicContact CZ-CD1 3.64Å
345	W	92.2	Very high	90.6	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.019	13%	0.127	C	C	.	.	H	α-helix	trans	-72.6	-26.6	-178.8	-71.2	100.4	0	0	0	113.1	Y61 F87 H89 L92 L311 P314 N341 T342 H347 L348 S349 I352	Y61-W345 HydrophobicContact CD2-CH2 4Å; Y61-W345 HydrophobicContact CD2-CZ2 4.17Å; Y61-W345 HydrophobicContact CE2-CH2 4.2Å; Y61-W345 AromaticContact CE2-CZ2 3.89Å; Y61-W345 HydrophobicContact CE2-CZ2 3.89Å; F87-W345 HydrophobicContact CD2-CZ2 4Å; F87-W345 HydrophobicContact CE2-CD2 4.47Å; F87-W345 AromaticContact CE2-CE2 3.8Å; F87-W345 AromaticContact CE2-CH2 3.68Å; F87-W345 HydrophobicContact CE2-CH2 3.68Å; F87-W345 AromaticContact CE2-CZ2 3.4Å; F87-W345 HydrophobicContact CE2-CZ2 3.4Å; F87-W345 HydrophobicContact CE2-CZ3 4.32Å; F87-W345 HydrophobicContact CZ-CH2 4.2Å; F87-W345 HydrophobicContact CZ-CZ2 4.34Å; H89-W345 HydrophobicContact CB-CD2 4.17Å; H89-W345 HydrophobicContact CB-CE3 4.3Å; H89-W345 HydrophobicContact CB-CG 4.39Å; H89-W345 AromaticContact CD2-CD1 3.11Å; H89-W345 AromaticContact CD2-CD2 3.73Å; H89-W345 AromaticContact CD2-CE2 4Å; H89-W345 AromaticContact CD2-CG 3.19Å; H89-W345 AromaticContact CD2-NE1 3.6Å; H89-W345 AromaticContact CG-CG 3.79Å; H89-W345 AromaticContact NE2-CD1 3.4Å; H89-W345 AromaticContact NE2-CG 3.53Å; L92-W345 HydrophobicContact CB-CZ3 4.49Å; L92-W345 HydrophobicContact CD1-CE3 3.66Å; L92-W345 HydrophobicContact CD1-CZ3 4.26Å; L311-W345 HydrophobicContact CD1-CH2 4.08Å; L311-W345 HydrophobicContact CD1-CZ3 4.12Å; P314-W345 HydrophobicContact CB-CZ2 4.13Å; N341-W345 PolarHBondContact O-N 3.29Å; N341-W345 PolarHBondContact OD1-NE1 2.75Å; N341-W345 VanDerWaalsContact OD1-NE1 3.16Å; T342-W345 PolarHBondContact O-N 2.8Å; W345-H347 PolarHBondContact O-N 2.67Å; W345-L348 HydrophobicContact CE3-CD1 4.36Å; W345-L348 HydrophobicContact CZ3-CD1 4.43Å; W345-L348 PolarHBondContact O-N 2.92Å; W345-L348 VanDerWaalsContact O-N 3.13Å; W345-S349 VanDerWaalsContact O-CB 3.32Å; W345-S349 WeakPolarHBondContact O-CB 3.38Å; W345-S349 PolarHBondContact O-N 2.98Å; W345-I352 HydrophobicContact CZ3-CD1 4.37Å
346	S	87.4	Confident	90.7	Very high	13 Å²	13	22.9 Å²	22.9	9%	0.091	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-35.1	174.1	76.5	0	0	0	0	112.7	T342 K343 F344 P350	T342-S346 WeakPolarHBondContact O-CB 3.45Å; T342-S346 PolarHBondContact O-N 3.07Å; K343-S346 PolarHBondContact O-N 3.24Å; K343-S346 PolarHBondContact O-OG 3.11Å; F344-S346 VanDerWaalsContact C-N 3.33Å; F344-S346 PolarHBondContact O-N 3.34Å; S346-P350 VanDerWaalsContact O-CD 3.28Å; S346-P350 WeakPolarHBondContact O-CD 3.18Å
347	H	89.9	Confident	90.5	Very high	35 Å²	35	21.2 Å²	21.2	16%	0.162	11%	0.107	C	C	.	.	H	α-helix	trans	-76.2	-30.6	177.8	-66.4	-176.7	0	0	0	112.4	V289 F344 W345	V289-H347 HydrophobicContact CB-CB 4.16Å; V289-H347 HydrophobicContact CG2-CB 4.02Å; V289-H347 WeakPolarHBondContact CG2-O 3.42Å; F344-H347 PolarHBondContact O-N 2.92Å; W345-H347 PolarHBondContact O-N 2.67Å
348	L	93.6	Very high	90	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-90	-35.1	-175.1	-62	179.4	0	0	0	113.1	T288 V289 L292 L311 F344 W345 L351 I352	T288-L348 HydrophobicContact CG2-CD1 4.2Å; T288-L348 HydrophobicContact CG2-CD2 3.99Å; V289-L348 HydrophobicContact CB-CD2 4.27Å; L292-L348 HydrophobicContact CD2-CD2 3.99Å; L311-L348 HydrophobicContact CD1-CD1 4.22Å; F344-L348 HydrophobicContact CD1-CD1 4.11Å; F344-L348 HydrophobicContact CE1-CD1 3.46Å; F344-L348 VanDerWaalsContact CE1-CD1 3.46Å; F344-L348 HydrophobicContact CE2-CD1 4.4Å; F344-L348 HydrophobicContact CZ-CD1 3.64Å; W345-L348 HydrophobicContact CE3-CD1 4.36Å; W345-L348 HydrophobicContact CZ3-CD1 4.43Å; W345-L348 PolarHBondContact O-N 2.92Å; W345-L348 VanDerWaalsContact O-N 3.13Å; L348-L351 WeakPolarHBondContact O-CB 3.42Å; L348-L351 PolarHBondContact O-N 3.15Å; L348-L351 VanDerWaalsContact O-N 3.1Å; L348-I352 HydrophobicContact CB-CD1 4.14Å; L348-I352 WeakPolarHBondContact O-CG1 3.5Å; L348-I352 PolarHBondContact O-N 3.42Å
349	S	91.9	Very high	88.9	Confident	17 Å²	17	22.7 Å²	22.7	12%	0.119	12%	0.117	C	C	.	.	H	α-helix	trans	-54	-51.2	-171.9	174.4	0	0	0	0	113.5	L92 W345 L351 I352 C353	L92-S349 WeakPolarHBondContact CD2-OG 3.47Å; W345-S349 VanDerWaalsContact O-CB 3.32Å; W345-S349 WeakPolarHBondContact O-CB 3.38Å; W345-S349 PolarHBondContact O-N 2.98Å; S349-L351 VanDerWaalsContact C-N 3.29Å; S349-L351 PolarHBondContact O-N 3.44Å; S349-I352 PolarHBondContact O-N 3.29Å; S349-C353 PolarHBondContact O-N 3.5Å; S349-C353 VanDerWaalsContact O-N 3.07Å; S349-C353 PolarHBondContact O-SG 3.46Å
350	P	88.1	Confident	87.4	Confident	23 Å²	23	20.7 Å²	20.7	15%	0.149	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-39	178	-23.8	35.1	0	0	0	113	S346 C353 R354 L440 A446	S346-P350 VanDerWaalsContact O-CD 3.28Å; S346-P350 WeakPolarHBondContact O-CD 3.18Å; P350-C353 PolarHBondContact O-N 3.31Å; P350-R354 PolarHBondContact O-N 2.95Å; P350-L440 HydrophobicContact CB-CD1 4.1Å; P350-L440 HydrophobicContact CB-CD2 4.04Å; P350-L440 HydrophobicContact CG-CD2 4.05Å; P350-A446 HydrophobicContact CG-CB 4.11Å
351	L	92.8	Very high	85.6	Confident	27 Å²	27	26.2 Å²	26.2	14%	0.141	15%	0.145	C	C	.	.	H	α-helix	trans	-70.8	-37.3	-178.7	-61.3	-168.3	0	0	0	112.1	V289 L292 K293 L296 L348 S349 R354 L355	V289-L351 HydrophobicContact CG2-CD1 3.47Å; V289-L351 VanDerWaalsContact CG2-CD1 3.47Å; L292-L351 HydrophobicContact CB-CD1 4.29Å; L292-L351 HydrophobicContact CD2-CB 3.47Å; L292-L351 VanDerWaalsContact CD2-CB 3.47Å; L292-L351 HydrophobicContact CD2-CD1 4.14Å; L292-L351 HydrophobicContact CD2-CG 4.45Å; L292-L351 HydrophobicContact CG-CB 3.88Å; L292-L351 HydrophobicContact CG-CD1 4.12Å; K293-L351 HydrophobicContact CG-CD1 3.7Å; L296-L351 HydrophobicContact CD1-CB 3.73Å; L296-L351 HydrophobicContact CD1-CD1 4.32Å; L296-L351 HydrophobicContact CD1-CD2 3.68Å; L296-L351 HydrophobicContact CD1-CG 4.1Å; L348-L351 WeakPolarHBondContact O-CB 3.42Å; L348-L351 PolarHBondContact O-N 3.15Å; L348-L351 VanDerWaalsContact O-N 3.1Å; S349-L351 VanDerWaalsContact C-N 3.29Å; S349-L351 PolarHBondContact O-N 3.44Å; L351-R354 PolarHBondContact O-N 2.95Å; L351-L355 WeakPolarHBondContact O-CB 3.26Å; L351-L355 PolarHBondContact O-N 3.27Å
352	I	94.8	Very high	83.8	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-43.2	173.3	-74	171.8	0	0	0	110.7	V59 L92 L292 L311 W345 L348 S349 R354 L355 R356	V59-I352 HydrophobicContact CG1-CD1 4.43Å; V59-I352 HydrophobicContact CG2-CG1 4.28Å; V59-I352 HydrophobicContact CG2-CG2 3.94Å; L92-I352 HydrophobicContact CB-CD1 4.07Å; L92-I352 HydrophobicContact CB-CG2 4.35Å; L92-I352 HydrophobicContact CD2-CG2 4.39Å; L92-I352 WeakPolarHBondContact O-CG2 3.48Å; L292-I352 HydrophobicContact CD2-CG1 4.06Å; L311-I352 HydrophobicContact CD1-CD1 4.49Å; W345-I352 HydrophobicContact CZ3-CD1 4.37Å; L348-I352 HydrophobicContact CB-CD1 4.14Å; L348-I352 WeakPolarHBondContact O-CG1 3.5Å; L348-I352 PolarHBondContact O-N 3.42Å; S349-I352 PolarHBondContact O-N 3.29Å; I352-R354 VanDerWaalsContact C-N 3.34Å; I352-L355 WeakPolarHBondContact O-CB 3.3Å; I352-L355 PolarHBondContact O-N 3.26Å; I352-R356 PolarHBondContact O-N 2.99Å
353	C	91.1	Very high	82.2	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-38.1	176.6	-68.4	0	0	0	0	112.1	S349 P350 M366 L367 H368	S349-C353 PolarHBondContact O-N 3.5Å; S349-C353 VanDerWaalsContact O-N 3.07Å; S349-C353 PolarHBondContact O-SG 3.46Å; P350-C353 PolarHBondContact O-N 3.31Å; C353-M366 HydrophobicContact CB-CB 4.12Å; C353-M366 HydrophobicContact CB-CG 4.37Å; C353-L367 WeakPolarHBondContact CA-O 3.31Å; C353-L367 PolarHBondContact O-N 2.86Å; C353-H368 VanDerWaalsContact SG-CE1 3.5Å; C353-H368 PolarHBondContact SG-ND1 2.92Å
354	R	90.8	Very high	80.7	Confident	46 Å²	46	34.2 Å²	34.2	17%	0.174	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-44.5	172	-172.4	176	176.4	169.6	4.1	111.6	L296 P350 L351 I352 R356 G357 L358 V364 E442	L296-R354 HydrophobicContact CD2-CB 4.32Å; L296-R354 HydrophobicContact CD2-CG 4.26Å; P350-R354 PolarHBondContact O-N 2.95Å; L351-R354 PolarHBondContact O-N 2.95Å; I352-R354 VanDerWaalsContact C-N 3.34Å; R354-R356 VanDerWaalsContact C-N 3.28Å; R354-R356 PolarHBondContact O-N 3.25Å; R354-G357 WeakPolarHBondContact O-CA 3.44Å; R354-G357 PolarHBondContact O-N 3.06Å; R354-L358 WeakPolarHBondContact O-CG 3.49Å; R354-L358 PolarHBondContact O-N 3.04Å; R354-V364 HydrophobicContact CG-CG1 3.8Å; R354-E442 IonicContact CZ-OE1 3.53Å; R354-E442 IonicContact NH1-OE1 3.49Å; R354-E442 PolarHBondContact NH1-OE1 2.88Å; R354-E442 VanDerWaalsContact NH1-OE1 3.16Å; R354-E442 IonicContact NH2-OE1 2.74Å; R354-E442 PolarHBondContact NH2-OE1 3.5Å
355	L	93.2	Very high	79.9	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-53	-47.2	179.3	-179.9	69.7	0	0	0	111.3	P57 V59 V295 L296 N299 V309 L351 I352 G357 L358	P57-L355 HydrophobicContact CB-CD1 4.13Å; P57-L355 HydrophobicContact CB-CD2 4.32Å; P57-L355 HydrophobicContact CB-CG 3.79Å; P57-L355 WeakPolarHBondContact CG-O 3.21Å; V59-L355 HydrophobicContact CG2-CD2 3.84Å; V295-L355 HydrophobicContact CG1-CD1 4.42Å; L296-L355 VanDerWaalsContact CD2-CA 3.43Å; L296-L355 HydrophobicContact CD2-CB 3.69Å; L296-L355 HydrophobicContact CD2-CD1 3.96Å; L296-L355 HydrophobicContact CD2-CG 4.46Å; N299-L355 VanDerWaalsContact ND2-CD1 3.27Å; N299-L355 WeakPolarHBondContact ND2-CD1 3.44Å; V309-L355 HydrophobicContact CB-CD2 4Å; V309-L355 HydrophobicContact CG2-CD1 4.38Å; V309-L355 HydrophobicContact CG2-CD2 3.68Å; L351-L355 WeakPolarHBondContact O-CB 3.26Å; L351-L355 PolarHBondContact O-N 3.27Å; I352-L355 WeakPolarHBondContact O-CB 3.3Å; I352-L355 PolarHBondContact O-N 3.26Å; L355-G357 PolarHBondContact O-N 3.01Å; L355-L358 PolarHBondContact O-N 2.82Å
356	R	90.1	Very high	79.6	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-29.6	179.3	-73.3	169.2	167.4	164.4	-5.7	112.9	L43 H91 L92 D94 I352 R354 L367	L43-R356 HydrophobicContact CD1-CB 3.82Å; L43-R356 HydrophobicContact CD1-CG 4.01Å; H91-R356 PolarHBondContact O-NH1 3.44Å; L92-R356 PolarHBondContact O-NH2 2.87Å; D94-R356 IonicContact OD1-CZ 3.93Å; D94-R356 IonicContact OD1-NE 3.24Å; D94-R356 IonicContact OD1-NH2 3.46Å; D94-R356 PolarHBondContact OD1-NH2 3.25Å; D94-R356 IonicContact OD2-CZ 3.29Å; D94-R356 IonicContact OD2-NE 2.8Å; D94-R356 IonicContact OD2-NH2 3.16Å; D94-R356 PolarHBondContact OD2-NH2 3.21Å; I352-R356 PolarHBondContact O-N 2.99Å; R354-R356 VanDerWaalsContact C-N 3.28Å; R354-R356 PolarHBondContact O-N 3.25Å; R356-L367 HydrophobicContact CB-CB 3.83Å; R356-L367 WeakPolarHBondContact O-CD1 3.34Å
357	G	85.8	Confident	79.6	Confident	4 Å²	4	37.5 Å²	37.5	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-83.6	-12.6	179.9	0	0	0	0	0	116.2	R354 L355 S359 T365	R354-G357 WeakPolarHBondContact O-CA 3.44Å; R354-G357 PolarHBondContact O-N 3.06Å; L355-G357 PolarHBondContact O-N 3.01Å; G357-S359 PolarHBondContact O-N 3.05Å; G357-T365 VanDerWaalsContact CA-O 3.23Å; G357-T365 WeakPolarHBondContact CA-O 3.41Å
358	L	81.3	Confident	79.7	Confident	12 Å²	12	36.3 Å²	36.3	6%	0.063	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	24.4	-169.6	-78	177.6	0	0	0	115.8	L296 N299 A300 P303 R354 L355	L296-L358 HydrophobicContact CB-CD1 4.24Å; L296-L358 HydrophobicContact CD2-CD1 3.44Å; L296-L358 VanDerWaalsContact CD2-CD1 3.44Å; L296-L358 HydrophobicContact CG-CD1 4.46Å; N299-L358 HydrophobicContact CB-CB 4.41Å; N299-L358 HydrophobicContact CB-CD1 3.79Å; A300-L358 HydrophobicContact CB-CD2 4.3Å; P303-L358 WeakPolarHBondContact CA-O 3.37Å; P303-L358 WeakPolarHBondContact CB-O 3.37Å; R354-L358 WeakPolarHBondContact O-CG 3.49Å; R354-L358 PolarHBondContact O-N 3.04Å; L355-L358 PolarHBondContact O-N 2.82Å
359	S	66.1	Low	79.6	Confident	39 Å²	39	36.5 Å²	36.5	27%	0.273	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	1.5	-179.6	79.9	0	0	0	0	114.4	L56 P303 G357	L56-S359 WeakPolarHBondContact CD2-OG 3.19Å; P303-S359 WeakPolarHBondContact O-CA 3.21Å; G357-S359 PolarHBondContact O-N 3.05Å
360	S	56.3	Low	79.6	Confident	26 Å²	26	35.8 Å²	35.8	18%	0.182	21%	0.207	C	C	.	.			trans	-102.9	136.6	175.8	54.1	0	0	0	0	110.7	D362	S360-D362 PolarHBondContact O-N 2.9Å; S360-D362 PolarHBondContact OG-O 2.94Å
361	V	52.8	Low	79.7	Confident	141 Å²	141	34.8 Å²	34.8	86%	0.855	20%	0.2	S	C	*	.	S	Bend	trans	-61.5	-18.2	169.6	-168.4	0	0	0	0	110.8
362	D	52.9	Low	79.6	Confident	115 Å²	115	33.5 Å²	33.5	62%	0.615	19%	0.194	S	C	*	.	S	Bend	trans	-103	120.7	179.3	-56.2	-50	0	0	0	111	S360	S360-D362 PolarHBondContact O-N 2.9Å; S360-D362 PolarHBondContact OG-O 2.94Å
363	V	53.9	Low	79.1	Confident	123 Å²	123	34 Å²	34	75%	0.745	20%	0.197	S	C	*	.			trans	35.8	118.1	161.5	-167.3	0	0	0	0	116.4	T365	V363-T365 VanDerWaalsContact C-N 3.34Å; V363-T365 PolarHBondContact O-N 3.31Å; V363-T365 PolarHBondContact O-OG1 3.41Å
364	V	57.9	Low	78.6	Confident	81 Å²	81	36.1 Å²	36.1	49%	0.491	21%	0.212	S	C	.	.			trans	-43.6	91.9	174.4	-177.4	0	0	0	0	111	R354	R354-V364 HydrophobicContact CG-CG1 3.8Å
365	T	74.5	Confident	78.3	Confident	39 Å²	39	34.4 Å²	34.4	24%	0.239	21%	0.206	C	C	.	.			trans	-106	117.7	-178	-59.1	0	0	0	0	106.8	N45 G357 V363 L367	N45-T365 HydrophobicContact CB-CG2 3.33Å; N45-T365 WeakPolarHBondContact ND2-CG2 3.4Å; G357-T365 VanDerWaalsContact CA-O 3.23Å; G357-T365 WeakPolarHBondContact CA-O 3.41Å; V363-T365 VanDerWaalsContact C-N 3.34Å; V363-T365 PolarHBondContact O-N 3.31Å; V363-T365 PolarHBondContact O-OG1 3.41Å; T365-L367 HydrophobicContact CG2-CD2 4.46Å; T365-L367 PolarHBondContact O-N 3.43Å
366	M	85.6	Confident	77.9	Confident	45 Å²	45	35 Å²	35	22%	0.222	21%	0.21	C	C	.	.			trans	-63.1	133.1	173.6	-69.2	-177.2	-70.2	0	0	109.9	N45 C353 L440	N45-M366 WeakPolarHBondContact CA-O 3.46Å; N45-M366 WeakPolarHBondContact CB-O 3.25Å; C353-M366 HydrophobicContact CB-CB 4.12Å; C353-M366 HydrophobicContact CB-CG 4.37Å; M366-L440 HydrophobicContact CE-CD1 3.74Å; M366-L440 HydrophobicContact SD-CD1 3.46Å; M366-L440 WeakPolarHBondContact SD-CD1 3.25Å
367	L	89.4	Confident	77.5	Confident	5 Å²	5	35.6 Å²	35.6	3%	0.026	21%	0.214	C	C	.	.			trans	-115.7	132.9	176.4	-67.7	-176.1	0	0	0	110.4	L43 N45 R51 L56 C353 R356 T365	L43-L367 HydrophobicContact CB-CB 4.01Å; L43-L367 HydrophobicContact CB-CD1 4.38Å; L43-L367 HydrophobicContact CD1-CB 3.98Å; L43-L367 HydrophobicContact CD1-CD1 4.25Å; N45-L367 HydrophobicContact CB-CD2 3.83Å; R51-L367 HydrophobicContact CB-CD1 3.83Å; R51-L367 HydrophobicContact CB-CD2 4.26Å; R51-L367 HydrophobicContact CG-CD1 3.87Å; R51-L367 HydrophobicContact CG-CD2 3.92Å; L56-L367 HydrophobicContact CD1-CD1 3.84Å; C353-L367 WeakPolarHBondContact CA-O 3.31Å; C353-L367 PolarHBondContact O-N 2.86Å; R356-L367 HydrophobicContact CB-CB 3.83Å; R356-L367 WeakPolarHBondContact O-CD1 3.34Å; T365-L367 HydrophobicContact CG2-CD2 4.46Å; T365-L367 PolarHBondContact O-N 3.43Å
368	H	90.7	Very high	76.7	Confident	11 Å²	11	39.6 Å²	39.6	5%	0.051	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-116.8	135	-173.3	-55.2	-81.6	0	0	0	109.2	L43 L44 D46 C353 R434 L495	L43-H368 WeakPolarHBondContact CA-O 3.22Å; L44-H368 PolarHBondContact N-O 2.79Å; L44-H368 WeakPolarHBondContact O-CB 3.01Å; L44-H368 PolarHBondContact O-CD2 3.4Å; L44-H368 PolarHBondContact O-N 2.8Å; D46-H368 IonicContact OD1-NE2 2.89Å; D46-H368 IonicContact OD2-NE2 3.77Å; C353-H368 VanDerWaalsContact SG-CE1 3.5Å; C353-H368 PolarHBondContact SG-ND1 2.92Å; H368-R434 VanDerWaalsContact CE1-CZ 3.48Å; H368-R434 PolarHBondContact CE1-NH1 2.9Å; H368-R434 PolarHBondContact NE2-NH1 3.3Å; H368-L495 HydrophobicContact CB-CD2 3.42Å; H368-L495 VanDerWaalsContact CB-CD2 3.42Å
369	K	92.3	Very high	76	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.017	23%	0.231	C	C	.	.			trans	-79.3	133	166	164.5	177.2	180	172.5	0	107.8	F40 L43 H91 V93 Q118 G119 T371	F40-K369 HydrophobicContact CD2-CG 4.11Å; F40-K369 HydrophobicContact CE1-CD 3.76Å; F40-K369 HydrophobicContact CE1-CG 4.23Å; F40-K369 VanDerWaalsContact CE1-NZ 3.31Å; F40-K369 HydrophobicContact CE2-CB 4.02Å; F40-K369 HydrophobicContact CE2-CD 3.76Å; F40-K369 HydrophobicContact CE2-CG 3.51Å; F40-K369 HydrophobicContact CZ-CB 4.35Å; F40-K369 HydrophobicContact CZ-CD 3.27Å; F40-K369 HydrophobicContact CZ-CG 3.6Å; L43-K369 HydrophobicContact CD2-CB 3.89Å; H91-K369 WeakPolarHBondContact O-CB 3.44Å; V93-K369 PolarHBondContact O-NZ 3.34Å; Q118-K369 WeakPolarHBondContact O-CE 3.49Å; Q118-K369 PolarHBondContact O-NZ 3.28Å; G119-K369 PolarHBondContact O-NZ 2.82Å; K369-T371 PolarHBondContact O-N 3.08Å
370	P	90.8	Very high	75.7	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.019	25%	0.245	C	C	.	.			trans	-55.3	135.4	173.7	-24.5	33.1	0	0	0	111.9	L44 L372 L495	L44-P370 HydrophobicContact CD1-CG 3.98Å; P370-L372 VanDerWaalsContact C-N 3.29Å; P370-L495 CarbonylContact C-O 3.47Å
371	T	90.6	Very high	75.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	26%	0.257	C	S	.	.	S	Bend	trans	-72.8	-30.3	171.2	-35.3	0	0	0	0	111	Q118 K369 P373 I429 F430 T432 F494 L495	Q118-T371 PolarHBondContact OE1-O 2.94Å; Q118-T371 VanDerWaalsContact OE1-O 3.13Å; K369-T371 PolarHBondContact O-N 3.08Å; T371-P373 WeakPolarHBondContact O-CD 3.42Å; T371-I429 HydrophobicContact CG2-CG2 3.93Å; T371-F430 WeakPolarHBondContact CG2-O 3.19Å; T371-T432 HydrophobicContact CG2-CG2 4.09Å; T371-T432 WeakPolarHBondContact OG1-CG2 3.21Å; T371-F494 HydrophobicContact CG2-CD1 3.83Å; T371-F494 HydrophobicContact CG2-CE1 4.25Å; T371-L495 PolarHBondContact N-O 2.86Å; T371-L495 PolarHBondContact OG1-N 2.8Å
372	L	89.9	Confident	75.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-117.5	89.2	172.9	-62.7	171.8	0	0	0	107.6	P370 S374 V377 F394 I429 F494 L495 F496 G497	P370-L372 VanDerWaalsContact C-N 3.29Å; L372-S374 PolarHBondContact O-N 2.84Å; L372-V377 HydrophobicContact CD2-CG2 3.86Å; L372-F394 HydrophobicContact CD1-CD1 4.06Å; L372-F394 HydrophobicContact CD1-CD2 4.36Å; L372-F394 HydrophobicContact CD1-CE1 4.08Å; L372-F394 HydrophobicContact CD1-CE2 4.38Å; L372-F394 HydrophobicContact CD1-CG 4.19Å; L372-F394 HydrophobicContact CD1-CZ 4.23Å; L372-F394 HydrophobicContact CD2-CD2 3.77Å; L372-F394 HydrophobicContact CD2-CE2 3.59Å; L372-F394 HydrophobicContact CD2-CG 4.39Å; L372-F394 HydrophobicContact CD2-CZ 4.08Å; L372-I429 HydrophobicContact CD2-CD1 3.58Å; L372-I429 HydrophobicContact CD2-CG2 4.04Å; L372-F494 HydrophobicContact CD1-CB 3.9Å; L372-F494 HydrophobicContact CD1-CD1 3.99Å; L372-F494 HydrophobicContact CD1-CG 3.95Å; L372-F494 HydrophobicContact CG-CB 4.44Å; L372-F494 HydrophobicContact CG-CD1 4.07Å; L372-F494 HydrophobicContact CG-CG 4.47Å; L372-L495 PolarHBondContact N-O 2.87Å; L372-F496 HydrophobicContact CB-CD1 4.06Å; L372-F496 HydrophobicContact CB-CE1 4.46Å; L372-F496 HydrophobicContact CD1-CD1 3.83Å; L372-F496 HydrophobicContact CD1-CE1 3.37Å; L372-F496 HydrophobicContact CD1-CZ 3.91Å; L372-F496 CarbonylContact O-C 3.58Å; L372-G497 PolarHBondContact O-N 2.97Å
373	P	84.3	Confident	74.8	Confident	13 Å²	13	33.6 Å²	33.6	8%	0.084	20%	0.195	C	C	.	.	S	Bend	trans	-51	-35.2	178.9	-34.5	40.1	0	0	0	115	F40 T371	F40-P373 HydrophobicContact CB-CB 4.11Å; T371-P373 WeakPolarHBondContact O-CD 3.42Å
374	S	81.8	Confident	74.3	Confident	48 Å²	48	29.3 Å²	29.3	34%	0.336	17%	0.168	S	C	.	.	S	Bend	trans	-152.9	155.8	-177.5	56.8	0	0	0	0	109.9	L372 V377	L372-S374 PolarHBondContact O-N 2.84Å; S374-V377 WeakPolarHBondContact O-CG2 3.4Å
375	L	84	Confident	73.3	Confident	10 Å²	10	29.7 Å²	29.7	5%	0.052	17%	0.174	C	C	.	.	S	Bend	trans	-109.9	151.4	161.7	-70.8	177.9	0	0	0	109.3	V377 F394 F496 I502 L610 L642 Y652	L375-V377 HydrophobicContact CD2-CG2 4.37Å; L375-F394 HydrophobicContact CD2-CB 3.95Å; L375-F496 HydrophobicContact CD1-CD1 3.97Å; L375-F496 HydrophobicContact CD1-CE1 3.95Å; L375-F496 HydrophobicContact CD2-CD1 4.48Å; L375-F496 HydrophobicContact CD2-CE1 4.28Å; L375-F496 HydrophobicContact CG-CD1 4.19Å; L375-F496 HydrophobicContact CG-CE1 4.36Å; L375-I502 HydrophobicContact CD1-CG2 4.49Å; L375-L610 HydrophobicContact CD1-CD1 4.12Å; L375-L642 HydrophobicContact CD1-CD2 3.69Å; L375-Y652 HydrophobicContact CB-CE1 4.38Å; L375-Y652 WeakPolarHBondContact CB-OH 3.23Å; L375-Y652 WeakPolarHBondContact O-CE1 3.13Å
376	P	85.5	Confident	72	Confident	12 Å²	12	33.5 Å²	33.5	8%	0.078	19%	0.189	C	C	.	.			cis	-71.9	160.6	-9.4	33.5	-37.6	0	0	0	112.1	L393 L649 Y652 F653	P376-L393 CarbonylContact C-O 3.5Å; P376-L393 VanDerWaalsContact CA-O 3.26Å; P376-L393 WeakPolarHBondContact CA-O 3.33Å; P376-L393 HydrophobicContact CB-CB 4.38Å; P376-L393 HydrophobicContact CB-CD2 4.16Å; P376-L393 WeakPolarHBondContact CB-O 3.47Å; P376-L649 HydrophobicContact CB-CD2 3.21Å; P376-L649 HydrophobicContact CG-CD2 3.37Å; P376-Y652 VanDerWaalsContact CD-CD1 3.42Å; P376-Y652 HydrophobicContact CG-CD1 4.49Å; P376-F653 HydrophobicContact CG-CE1 4.49Å; P376-F653 HydrophobicContact CG-CE2 4.08Å; P376-F653 HydrophobicContact CG-CZ 3.71Å
377	V	80.8	Confident	70.4	Confident	15 Å²	15	40.6 Å²	40.6	9%	0.091	22%	0.219	C	C	.	.			trans	-113.2	104.6	171.5	179.5	0	0	0	0	109.9	L372 S374 L375 Q379 L393 F394 I429	L372-V377 HydrophobicContact CD2-CG2 3.86Å; S374-V377 WeakPolarHBondContact O-CG2 3.4Å; L375-V377 HydrophobicContact CD2-CG2 4.37Å; V377-Q379 HydrophobicContact CG1-CG 4.36Å; V377-Q379 PolarHBondContact O-N 2.79Å; V377-L393 PolarHBondContact N-O 2.98Å; V377-F394 HydrophobicContact CB-CD2 4.1Å; V377-F394 HydrophobicContact CG1-CD2 4.49Å; V377-I429 HydrophobicContact CG1-CD1 3.66Å
378	I	69	Low	69.1	Low	88 Å²	88	42.5 Å²	42.5	45%	0.451	23%	0.226	S	C	.	.			trans	-78.9	109.6	177.3	-56.6	175	0	0	0	109.4	L380	I378-L380 HydrophobicContact CG2-CD1 3.74Å; I378-L380 HydrophobicContact CG2-CG 3.78Å; I378-L380 PolarHBondContact O-N 2.86Å
379	Q	66.9	Low	68.1	Low	5 Å²	5	46.6 Å²	46.6	2%	0.023	25%	0.248	C	C	.	.			trans	-90.8	88	172.7	-58.8	-165.7	-0.9	0	0	111.1	V377 C382 C395 Q428	V377-Q379 HydrophobicContact CG1-CG 4.36Å; V377-Q379 PolarHBondContact O-N 2.79Å; Q379-C382 PolarHBondContact O-N 3.13Å; Q379-C382 VanDerWaalsContact O-N 3.12Å; Q379-C395 PolarHBondContact NE2-O 2.85Å; Q379-C395 PolarHBondContact OE1-O 2.74Å; Q379-Q428 VanDerWaalsContact OE1-CB 3.31Å
380	L	60.4	Low	67.4	Low	107 Å²	107	49.3 Å²	49.3	56%	0.56	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	132.4	171	-80.1	155.3	0	0	0	111.3	R117 I378	R117-L380 PolarHBondContact NH2-O 2.99Å; I378-L380 HydrophobicContact CG2-CD1 3.74Å; I378-L380 HydrophobicContact CG2-CG 3.78Å; I378-L380 PolarHBondContact O-N 2.86Å
381	P	52	Low	67.2	Low	67 Å²	67	50.3 Å²	50.3	44%	0.435	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94	114.7	-26.9	30.5	-16	0	0	0	109.6
382	C	47.6	Very low	67	Low	12 Å²	12	50.9 Å²	50.9	8%	0.081	28%	0.276	C	S	.	.			trans	-57	158.6	148.9	52.4	0	0	0	0	108.7	Q379 L384 Y388	Q379-C382 PolarHBondContact O-N 3.13Å; Q379-C382 VanDerWaalsContact O-N 3.12Å; C382-L384 HydrophobicContact CB-CG 4.19Å; C382-L384 PolarHBondContact O-N 3.12Å; C382-Y388 WeakPolarHBondContact SG-CE2 3.38Å
383	D	42.9	Very low	66.9	Low	16 Å²	16	50.9 Å²	50.9	9%	0.086	28%	0.276	C	S	.	.	S	Bend	trans	-57.4	9.8	175.7	-90.4	-50.4	0	0	0	116.2	S385 R426 T464	D383-S385 PolarHBondContact O-N 2.66Å; D383-R426 IonicContact OD1-CZ 2.64Å; D383-R426 IonicContact OD1-NH1 2.69Å; D383-R426 PolarHBondContact OD1-NH1 3.16Å; D383-R426 IonicContact OD1-NH2 3.04Å; D383-R426 PolarHBondContact OD1-NH2 2.96Å; D383-R426 IonicContact OD2-CZ 3.29Å; D383-R426 IonicContact OD2-NH1 3.13Å; D383-R426 PolarHBondContact OD2-NH1 3.49Å; D383-T464 PolarHBondContact OD2-OG1 3.44Å
384	L	42.7	Very low	67.2	Low	34 Å²	34	50.3 Å²	50.3	18%	0.178	27%	0.272	C	S	.	.			trans	-90.6	103.1	179.4	-49.7	-175.2	0	0	0	108.7	C382 E386 K462 F463	C382-L384 HydrophobicContact CB-CG 4.19Å; C382-L384 PolarHBondContact O-N 3.12Å; L384-E386 PolarHBondContact O-N 2.88Å; L384-K462 HydrophobicContact CD2-CD 3.35Å; L384-K462 HydrophobicContact CD2-CG 3.81Å; L384-F463 HydrophobicContact CD1-CE1 3.71Å; L384-F463 HydrophobicContact CD1-CZ 3.81Å; L384-F463 HydrophobicContact CD2-CD1 4.22Å; L384-F463 HydrophobicContact CD2-CE1 3.5Å; L384-F463 HydrophobicContact CD2-CZ 3.73Å; L384-F463 HydrophobicContact CG-CE1 3.64Å; L384-F463 HydrophobicContact CG-CZ 4.1Å
385	S	37.9	Very low	67.5	Low	88 Å²	88	48.1 Å²	48.1	62%	0.615	26%	0.256	S	S	*	.			trans	-69.3	-4.9	156.9	54.9	0	0	0	0	112.4	D383	D383-S385 PolarHBondContact O-N 2.66Å
386	E	46.4	Very low	67.7	Low	119 Å²	119	47.6 Å²	47.6	56%	0.556	25%	0.254	S	S	*	.	S	Bend	trans	-77.3	139.2	170.1	-74.5	165.5	-138.9	0	0	109.1	L384 Y388 K462	L384-E386 PolarHBondContact O-N 2.88Å; E386-Y388 PolarHBondContact O-N 2.92Å; E386-K462 IonicContact OE1-NZ 2.81Å; E386-K462 PolarHBondContact OE1-NZ 3.12Å; E386-K462 IonicContact OE2-NZ 3.4Å; E386-K462 PolarHBondContact OE2-NZ 3.48Å
387	K	52	Low	67.7	Low	194 Å²	194	47.3 Å²	47.3	84%	0.843	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-50.8	129.5	166.8	-73.8	-178.2	175	-175.4	0	106.9	D389	K387-D389 PolarHBondContact O-N 3.01Å; K387-D389 VanDerWaalsContact O-N 3.12Å
388	Y	61.9	Low	68	Low	46 Å²	46	46.6 Å²	46.6	18%	0.18	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-46.2	125.1	163.6	-107.1	-92.2	0	0	0	106.8	C382 E386 S390 I392 C395	C382-Y388 WeakPolarHBondContact SG-CE2 3.38Å; E386-Y388 PolarHBondContact O-N 2.92Å; Y388-S390 PolarHBondContact O-N 3.26Å; Y388-I392 HydrophobicContact CD1-CB 3.87Å; Y388-I392 HydrophobicContact CD1-CD1 4.14Å; Y388-I392 HydrophobicContact CD1-CG2 3.89Å; Y388-I392 HydrophobicContact CE1-CB 4.18Å; Y388-I392 HydrophobicContact CE1-CD1 4.49Å; Y388-I392 HydrophobicContact CE1-CG2 3.66Å; Y388-C395 HydrophobicContact CE1-CB 4.23Å
389	D	70.9	Confident	68.8	Low	96 Å²	96	42.6 Å²	42.6	51%	0.513	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-54.2	130.2	169.2	-72.3	-29.4	0	0	0	106.4	K387 D391 I392	K387-D389 PolarHBondContact O-N 3.01Å; K387-D389 VanDerWaalsContact O-N 3.12Å; D389-D391 WeakPolarHBondContact CB-OD1 3.47Å; D389-D391 PolarHBondContact O-N 3.47Å; D389-I392 HydrophobicContact CB-CD1 3.87Å; D389-I392 HydrophobicContact CB-CG1 4.07Å; D389-I392 PolarHBondContact O-N 3.48Å
390	S	77.7	Confident	69.9	Low	62 Å²	62	42.3 Å²	42.3	43%	0.434	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.3	-171.2	54.9	0	0	0	0	112	Y388 P648 L649	Y388-S390 PolarHBondContact O-N 3.26Å; S390-P648 CarbonylContact O-C 3.34Å; S390-P648 WeakPolarHBondContact O-CA 3.34Å; S390-P648 WeakPolarHBondContact O-CB 3.33Å; S390-L649 WeakPolarHBondContact O-CG 3.06Å; S390-L649 PolarHBondContact O-N 3.03Å
391	D	85.5	Confident	71.3	Confident	24 Å²	24	37.2 Å²	37.2	13%	0.128	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.3	176.1	63.8	4.3	0	0	0	114.9	D389 L393 R643 D644	D389-D391 WeakPolarHBondContact CB-OD1 3.47Å; D389-D391 PolarHBondContact O-N 3.47Å; D391-L393 PolarHBondContact O-N 3.32Å; D391-R643 CarbonylContact O-C 3.51Å; D391-R643 WeakPolarHBondContact O-CA 3.47Å; D391-R643 IonicContact OD1-CZ 2.77Å; D391-R643 IonicContact OD1-NE 3.97Å; D391-R643 PolarHBondContact OD1-NE 2.83Å; D391-R643 VanDerWaalsContact OD1-NE 3.07Å; D391-R643 IonicContact OD1-NH2 3.8Å; D391-R643 PolarHBondContact OD1-NH2 3.2Å; D391-R643 IonicContact OD2-CZ 3.09Å; D391-R643 VanDerWaalsContact OD2-CZ 3.22Å; D391-R643 IonicContact OD2-NE 3.94Å; D391-R643 IonicContact OD2-NH1 3.22Å; D391-R643 IonicContact OD2-NH2 3.71Å; D391-R643 PolarHBondContact OD2-NH2 3.38Å; D391-D644 WeakPolarHBondContact CB-O 3.44Å; D391-D644 PolarHBondContact O-N 3.12Å
392	I	87.3	Confident	73.1	Confident	12 Å²	12	34.2 Å²	34.2	6%	0.062	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	110.8	177.2	-60.5	165.1	0	0	0	109.6	Y388 D389 C395 E641 R643	Y388-I392 HydrophobicContact CD1-CB 3.87Å; Y388-I392 HydrophobicContact CD1-CD1 4.14Å; Y388-I392 HydrophobicContact CD1-CG2 3.89Å; Y388-I392 HydrophobicContact CE1-CB 4.18Å; Y388-I392 HydrophobicContact CE1-CD1 4.49Å; Y388-I392 HydrophobicContact CE1-CG2 3.66Å; D389-I392 HydrophobicContact CB-CD1 3.87Å; D389-I392 HydrophobicContact CB-CG1 4.07Å; D389-I392 PolarHBondContact O-N 3.48Å; I392-C395 HydrophobicContact CG2-CB 3.83Å; I392-E641 HydrophobicContact CG2-CG 4.26Å; I392-R643 HydrophobicContact CB-CG 4.4Å; I392-R643 HydrophobicContact CG1-CG 3.81Å
393	L	88.4	Confident	75.1	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-33.3	176.8	-59.4	-175.7	0	0	0	112.4	P376 V377 D391 I502 L642 D644 L649 Y652	P376-L393 CarbonylContact C-O 3.5Å; P376-L393 VanDerWaalsContact CA-O 3.26Å; P376-L393 WeakPolarHBondContact CA-O 3.33Å; P376-L393 HydrophobicContact CB-CB 4.38Å; P376-L393 HydrophobicContact CB-CD2 4.16Å; P376-L393 WeakPolarHBondContact CB-O 3.47Å; V377-L393 PolarHBondContact N-O 2.98Å; D391-L393 PolarHBondContact O-N 3.32Å; L393-I502 HydrophobicContact CD1-CG2 3.99Å; L393-L642 HydrophobicContact CB-CD2 4.49Å; L393-L642 HydrophobicContact CB-CG 4.32Å; L393-L642 PolarHBondContact N-O 2.81Å; L393-D644 HydrophobicContact CD1-CB 3.57Å; L393-D644 HydrophobicContact CD2-CB 4.41Å; L393-D644 HydrophobicContact CG-CB 3.89Å; L393-L649 HydrophobicContact CD2-CD2 4.42Å; L393-Y652 HydrophobicContact CD1-CD2 4.12Å; L393-Y652 HydrophobicContact CD1-CE2 3.63Å; L393-Y652 HydrophobicContact CD2-CD2 3.54Å; L393-Y652 HydrophobicContact CD2-CE2 3.87Å; L393-Y652 HydrophobicContact CD2-CG 4.22Å; L393-Y652 HydrophobicContact CG-CD2 4.5Å; L393-Y652 HydrophobicContact CG-CE2 4.41Å
394	F	89.2	Confident	77.1	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	140.1	177.6	165.1	-109.4	0	0	0	110.1	L372 L375 V377 T396 I429 F494 I640 E641 L642	L372-F394 HydrophobicContact CD1-CD1 4.06Å; L372-F394 HydrophobicContact CD1-CD2 4.36Å; L372-F394 HydrophobicContact CD1-CE1 4.08Å; L372-F394 HydrophobicContact CD1-CE2 4.38Å; L372-F394 HydrophobicContact CD1-CG 4.19Å; L372-F394 HydrophobicContact CD1-CZ 4.23Å; L372-F394 HydrophobicContact CD2-CD2 3.77Å; L372-F394 HydrophobicContact CD2-CE2 3.59Å; L372-F394 HydrophobicContact CD2-CG 4.39Å; L372-F394 HydrophobicContact CD2-CZ 4.08Å; L375-F394 HydrophobicContact CD2-CB 3.95Å; V377-F394 HydrophobicContact CB-CD2 4.1Å; V377-F394 HydrophobicContact CG1-CD2 4.49Å; F394-T396 HydrophobicContact CE1-CG2 4.03Å; F394-T396 HydrophobicContact CE2-CG2 4.33Å; F394-T396 HydrophobicContact CZ-CG2 3.51Å; F394-I429 HydrophobicContact CE2-CB 4.21Å; F394-F494 HydrophobicContact CE1-CD2 4.08Å; F394-F494 HydrophobicContact CE1-CE1 4.27Å; F394-F494 AromaticContact CE1-CE2 3.71Å; F394-F494 HydrophobicContact CE1-CE2 3.71Å; F394-F494 HydrophobicContact CE1-CG 4.5Å; F394-F494 AromaticContact CE1-CZ 3.83Å; F394-F494 HydrophobicContact CE1-CZ 3.83Å; F394-F494 HydrophobicContact CZ-CD1 4.3Å; F394-F494 HydrophobicContact CZ-CD2 4.5Å; F394-F494 AromaticContact CZ-CE1 3.74Å; F394-F494 HydrophobicContact CZ-CE1 3.74Å; F394-F494 AromaticContact CZ-CE2 3.93Å; F394-F494 HydrophobicContact CZ-CE2 3.93Å; F394-F494 AromaticContact CZ-CZ 3.54Å; F394-F494 HydrophobicContact CZ-CZ 3.54Å; F394-I640 HydrophobicContact CE1-CG2 4.48Å; F394-E641 CarbonylContact O-C 3.59Å; F394-E641 WeakPolarHBondContact O-CA 3.09Å; F394-L642 HydrophobicContact CB-CB 4.36Å; F394-L642 PolarHBondContact N-O 3.35Å; F394-L642 VanDerWaalsContact N-O 3.17Å; F394-L642 PolarHBondContact O-N 2.71Å
395	C	88.6	Confident	79	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	138	174.9	179.1	0	0	0	0	109.5	Q379 Y388 I392 L639 I640 E641	Q379-C395 PolarHBondContact NE2-O 2.85Å; Q379-C395 PolarHBondContact OE1-O 2.74Å; Y388-C395 HydrophobicContact CE1-CB 4.23Å; I392-C395 HydrophobicContact CG2-CB 3.83Å; C395-L639 WeakPolarHBondContact SG-CD1 3.18Å; C395-I640 CarbonylContact C-O 3.5Å; C395-I640 WeakPolarHBondContact CA-O 3.25Å; C395-E641 HydrophobicContact CB-CB 4.4Å; C395-E641 HydrophobicContact CB-CG 4.23Å
396	T	88.2	Confident	81	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.4	170.5	-174.7	0	0	0	0	110.2	F394 C398 Q428 I429 F494 L639 I640	F394-T396 HydrophobicContact CE1-CG2 4.03Å; F394-T396 HydrophobicContact CE2-CG2 4.33Å; F394-T396 HydrophobicContact CZ-CG2 3.51Å; T396-C398 PolarHBondContact OG1-N 3.34Å; T396-C398 VanDerWaalsContact OG1-N 3.11Å; T396-Q428 WeakPolarHBondContact OG1-CB 3.37Å; T396-I429 PolarHBondContact OG1-O 3.18Å; T396-F494 HydrophobicContact CG2-CE2 4.35Å; T396-F494 HydrophobicContact CG2-CZ 3.78Å; T396-L639 CarbonylContact O-C 3.56Å; T396-L639 WeakPolarHBondContact O-CA 3.35Å; T396-I640 HydrophobicContact CG2-CB 4.01Å; T396-I640 HydrophobicContact CG2-CD1 4.37Å; T396-I640 PolarHBondContact N-O 3.45Å; T396-I640 PolarHBondContact O-N 3.35Å
397	T	85.2	Confident	82.6	Confident	6 Å²	6	25.1 Å²	25.1	4%	0.037	13%	0.129	C	C	.	.			trans	-104.4	12.6	168.8	66.1	0	0	0	0	111.7	C399 Q428 F463 T466 G638 L639	T397-C399 PolarHBondContact O-N 3.47Å; T397-Q428 PolarHBondContact OG1-OE1 2.85Å; T397-F463 HydrophobicContact CG2-CB 3.58Å; T397-F463 HydrophobicContact CG2-CD1 3.59Å; T397-F463 HydrophobicContact CG2-CD2 3.72Å; T397-F463 HydrophobicContact CG2-CE1 4.1Å; T397-F463 HydrophobicContact CG2-CE2 4.25Å; T397-F463 HydrophobicContact CG2-CG 3.36Å; T397-F463 HydrophobicContact CG2-CZ 4.4Å; T397-T466 VanDerWaalsContact O-O 3.09Å; T397-G638 VanDerWaalsContact CA-O 3.28Å; T397-G638 WeakPolarHBondContact CA-O 3.49Å; T397-G638 WeakPolarHBondContact CB-O 3.21Å; T397-G638 WeakPolarHBondContact CG2-O 3.35Å; T397-L639 HydrophobicContact CG2-CD1 4.05Å
398	C	86.6	Confident	83.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.			trans	57.1	36.5	-172.4	-53.8	0	0	0	0	112.1	T396 S400 F430 T466 L468	T396-C398 PolarHBondContact OG1-N 3.34Å; T396-C398 VanDerWaalsContact OG1-N 3.11Å; C398-S400 PolarHBondContact O-N 2.92Å; C398-F430 VanDerWaalsContact C-CZ 3.48Å; C398-F430 HydrophobicContact CB-CD1 4.36Å; C398-F430 HydrophobicContact CB-CE1 3.97Å; C398-F430 HydrophobicContact CB-CZ 4.43Å; C398-F430 WeakPolarHBondContact O-CE1 2.98Å; C398-F430 WeakPolarHBondContact O-CZ 3.24Å; C398-T466 CarbonylContact C-O 3.44Å; C398-T466 CarbonylContact O-C 3.44Å; C398-T466 VanDerWaalsContact O-O 3.13Å; C398-T466 PolarHBondContact O-OG1 2.78Å; C398-L468 HydrophobicContact CB-CB 3.84Å
399	C	87.6	Confident	83.4	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.02	14%	0.143	C	C	.	.			trans	-74.7	121.1	174.3	-173.6	0	0	0	0	110.5	T397 G401 Q427 Q428 F430 T464 T466	T397-C399 PolarHBondContact O-N 3.47Å; C399-G401 PolarHBondContact O-N 3.18Å; C399-G401 PolarHBondContact SG-N 3.38Å; C399-G401 VanDerWaalsContact SG-N 3.45Å; C399-Q427 WeakPolarHBondContact O-CA 3.49Å; C399-Q428 HydrophobicContact CB-CG 4.18Å; C399-Q428 PolarHBondContact O-N 3.29Å; C399-F430 WeakPolarHBondContact O-CE2 3.2Å; C399-T464 PolarHBondContact SG-O 2.59Å; C399-T466 WeakPolarHBondContact CA-OG1 3.34Å
400	S	89	Confident	82.6	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	4.2	177	58	0	0	0	0	113.1	R86 C398 Q402 T466	R86-S400 WeakPolarHBondContact CD-O 3.42Å; R86-S400 WeakPolarHBondContact CG-O 3.14Å; R86-S400 PolarHBondContact NE-O 3.44Å; R86-S400 VanDerWaalsContact NE-O 3.11Å; C398-S400 PolarHBondContact O-N 2.92Å; S400-Q402 PolarHBondContact O-N 3.33Å; S400-Q402 VanDerWaalsContact OG-CG 3.31Å; S400-Q402 WeakPolarHBondContact OG-CG 3.31Å; S400-T466 WeakPolarHBondContact CB-OG1 2.79Å; S400-T466 PolarHBondContact N-OG1 2.8Å; S400-T466 WeakPolarHBondContact OG-CG2 3.43Å; S400-T466 PolarHBondContact OG-OG1 2.96Å
401	G	89.2	Confident	81.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.6	25.3	-173	0	0	0	0	0	112.4	R86 C399 S422 Q423	R86-G401 PolarHBondContact NH2-O 3.48Å; C399-G401 PolarHBondContact O-N 3.18Å; C399-G401 PolarHBondContact SG-N 3.38Å; C399-G401 VanDerWaalsContact SG-N 3.45Å; G401-S422 CarbonylContact O-C 3.55Å; G401-S422 WeakPolarHBondContact O-CA 3.43Å; G401-Q423 WeakPolarHBondContact CA-O 3.44Å; G401-Q423 CarbonylContact O-C 3.48Å; G401-Q423 PolarHBondContact O-N 3.32Å; G401-Q423 VanDerWaalsContact O-O 3.12Å
402	Q	90.7	Very high	79.6	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.019	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162	170.7	65	-176.7	-47.4	0	0	110.5	F82 A84 F334 S400 G421 G465	F82-Q402 HydrophobicContact CD2-CB 4.2Å; F82-Q402 HydrophobicContact CD2-CG 4.38Å; F82-Q402 HydrophobicContact CE2-CB 4.49Å; F82-Q402 HydrophobicContact CE2-CG 4.25Å; A84-Q402 PolarHBondContact O-NE2 3.47Å; A84-Q402 PolarHBondContact O-OE1 3.37Å; F334-Q402 VanDerWaalsContact CE2-CD 3.47Å; F334-Q402 HydrophobicContact CE2-CG 3.97Å; F334-Q402 HydrophobicContact CZ-CG 4.44Å; S400-Q402 PolarHBondContact O-N 3.33Å; S400-Q402 VanDerWaalsContact OG-CG 3.31Å; S400-Q402 WeakPolarHBondContact OG-CG 3.31Å; Q402-G421 CarbonylContact C-O 3.4Å; Q402-G421 VanDerWaalsContact CA-O 3.32Å; Q402-G421 WeakPolarHBondContact CA-O 3.32Å; Q402-G421 WeakPolarHBondContact CB-O 3.08Å; Q402-G465 CarbonylContact O-C 3.51Å; Q402-G465 VanDerWaalsContact O-C 3.27Å; Q402-G465 WeakPolarHBondContact O-CA 3.45Å
403	G	88.2	Confident	77.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.5	-149.2	174.8	0	0	0	0	0	112.7	L405 Q419 Y420 G421	G403-L405 PolarHBondContact O-N 3.32Å; G403-L405 VanDerWaalsContact O-N 3.16Å; G403-Q419 VanDerWaalsContact O-O 3.1Å; G403-Y420 WeakPolarHBondContact O-CA 3.5Å; G403-G421 PolarHBondContact N-O 3.12Å; G403-G421 PolarHBondContact O-N 3Å
404	L	85.4	Confident	76.1	Confident	29 Å²	29	39.7 Å²	39.7	15%	0.152	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	107.4	167.4	-75.9	173.3	0	0	0	108	L418 Y420 T458 T464 G465	L404-L418 HydrophobicContact CB-CB 4.22Å; L404-L418 HydrophobicContact CB-CD1 4.35Å; L404-L418 HydrophobicContact CD2-CB 4.32Å; L404-Y420 HydrophobicContact CB-CE1 4.47Å; L404-Y420 HydrophobicContact CD1-CE1 4.35Å; L404-Y420 HydrophobicContact CD2-CD1 3.96Å; L404-Y420 HydrophobicContact CD2-CD2 3.95Å; L404-Y420 HydrophobicContact CD2-CE1 3.71Å; L404-Y420 HydrophobicContact CD2-CE2 3.77Å; L404-Y420 HydrophobicContact CD2-CG 4.05Å; L404-Y420 HydrophobicContact CG-CD1 4.04Å; L404-Y420 HydrophobicContact CG-CE1 3.48Å; L404-Y420 VanDerWaalsContact CG-CE1 3.48Å; L404-Y420 HydrophobicContact CG-CE2 4.31Å; L404-T458 HydrophobicContact CD1-CG2 4.16Å; L404-T464 WeakPolarHBondContact O-CB 3.06Å; L404-G465 PolarHBondContact O-N 3.4Å
405	L	82.7	Confident	74.7	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.2	-179.3	-56.8	171.3	0	0	0	109.9	F78 G403 P407 Q419 Q423 T464	F78-L405 HydrophobicContact CD2-CB 4.1Å; F78-L405 HydrophobicContact CD2-CD1 4.39Å; F78-L405 HydrophobicContact CE2-CB 3.94Å; F78-L405 HydrophobicContact CE2-CD1 4.47Å; G403-L405 PolarHBondContact O-N 3.32Å; G403-L405 VanDerWaalsContact O-N 3.16Å; L405-P407 WeakPolarHBondContact O-CD 3.36Å; L405-Q419 PolarHBondContact N-O 3.18Å; L405-Q419 PolarHBondContact O-N 3.13Å; L405-Q423 HydrophobicContact CD1-CB 4.26Å; L405-T464 WeakPolarHBondContact CD2-OG1 3.29Å
406	P	80.2	Confident	73.6	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.019	30%	0.3	C	S	.	.			trans	-67.3	127.6	167	23.8	-31.9	0	0	0	111.5	K408 V416 L418 T464	P406-K408 PolarHBondContact O-N 3.28Å; P406-V416 HydrophobicContact CB-CG1 3.6Å; P406-V416 HydrophobicContact CG-CG1 4.43Å; P406-L418 HydrophobicContact CB-CD2 4.37Å; P406-L418 HydrophobicContact CG-CD2 4.44Å; P406-T464 WeakPolarHBondContact CD-OG1 3.31Å
407	P	79	Confident	73	Confident	45 Å²	45	57.3 Å²	57.3	29%	0.292	33%	0.33	S	S	.	.	S	Bend	trans	-65	-22.6	-179.5	-24.9	34.2	0	0	0	115	F78 L405 I417 Q419	F78-P407 WeakPolarHBondContact CB-O 3.2Å; F78-P407 HydrophobicContact CD1-CB 3.79Å; F78-P407 HydrophobicContact CD1-CG 4.41Å; F78-P407 HydrophobicContact CE1-CB 3.99Å; F78-P407 HydrophobicContact CE1-CG 4.13Å; F78-P407 HydrophobicContact CG-CB 4.25Å; F78-P407 HydrophobicContact CZ-CG 4.37Å; L405-P407 WeakPolarHBondContact O-CD 3.36Å; P407-I417 VanDerWaalsContact CD-O 3.29Å; P407-I417 WeakPolarHBondContact CD-O 3.44Å; P407-Q419 HydrophobicContact CG-CB 4.07Å; P407-Q419 HydrophobicContact CG-CG 3.85Å
408	K	70.6	Confident	72.9	Confident	163 Å²	163	60 Å²	60	71%	0.709	34%	0.344	S	S	*	.	S	Bend	trans	-123.8	147.3	177.4	-69.1	-174.7	178.8	-177.6	0	109.5	P406	P406-K408 PolarHBondContact O-N 3.28Å
409	P	60.4	Low	72.8	Confident	94 Å²	94	64 Å²	64	61%	0.61	36%	0.362	S	S	*	.			trans	-52.7	145.1	168.1	-18.1	29.3	0	0	0	110	T411	P409-T411 PolarHBondContact O-N 3.17Å
410	W	55.7	Low	72.9	Confident	93 Å²	93	68.1 Å²	68.1	35%	0.352	38%	0.378	S	S	.	.			trans	-54	108.4	-180	-78.3	73.4	0	0	0	110.7	V416	W410-V416 HydrophobicContact CD2-CG2 4.03Å; W410-V416 HydrophobicContact CE3-CG2 3.9Å; W410-V416 HydrophobicContact CH2-CG2 3.71Å; W410-V416 HydrophobicContact CZ2-CB 4.45Å; W410-V416 HydrophobicContact CZ2-CG2 3.84Å; W410-V416 HydrophobicContact CZ3-CG2 3.74Å
411	T	47.2	Very low	73	Confident	117 Å²	117	68.1 Å²	68.1	72%	0.718	38%	0.378	S	S	*	.			trans	-118.5	105.3	170	56	0	0	0	0	108.3	P409	P409-T411 PolarHBondContact O-N 3.17Å
412	A	52.8	Low	73.2	Confident	82 Å²	82	68.1 Å²	68.1	68%	0.678	38%	0.378	S	S	*	.	S	Bend	trans	70.9	150	176.9	0	0	0	0	0	116.4	G414	A412-G414 PolarHBondContact O-N 3.46Å
413	P	46.7	Very low	73.1	Confident	140 Å²	140	68.8 Å²	68.8	91%	0.909	38%	0.381	S	S	*	.	S	Bend	trans	-71.8	101.4	-179.6	28.8	-32.3	0	0	0	110
414	G	55.4	Low	73.2	Confident	53 Å²	53	68.8 Å²	68.8	55%	0.546	38%	0.381	S	S	.	.	S	Bend	trans	-147.9	168.5	171.9	0	0	0	0	0	109.6	A412 V416	A412-G414 PolarHBondContact O-N 3.46Å; G414-V416 PolarHBondContact O-N 2.86Å
415	E	60	Low	73.2	Confident	197 Å²	197	68.2 Å²	68.2	92%	0.921	38%	0.379	S	S	*	.			trans	-63.6	108.1	-178.4	-148.8	174.6	-168.5	0	0	110.2	I417	E415-I417 PolarHBondContact O-N 3.02Å
416	V	65.1	Low	73.3	Confident	51 Å²	51	69.1 Å²	69.1	31%	0.309	38%	0.383	S	S	.	.			trans	-77.8	111.3	-177.8	176.7	0	0	0	0	109.2	P406 W410 G414 L418	P406-V416 HydrophobicContact CB-CG1 3.6Å; P406-V416 HydrophobicContact CG-CG1 4.43Å; W410-V416 HydrophobicContact CD2-CG2 4.03Å; W410-V416 HydrophobicContact CE3-CG2 3.9Å; W410-V416 HydrophobicContact CH2-CG2 3.71Å; W410-V416 HydrophobicContact CZ2-CB 4.45Å; W410-V416 HydrophobicContact CZ2-CG2 3.84Å; W410-V416 HydrophobicContact CZ3-CG2 3.74Å; G414-V416 PolarHBondContact O-N 2.86Å; V416-L418 HydrophobicContact CG1-CD2 4.02Å; V416-L418 PolarHBondContact O-N 2.84Å
417	I	75.2	Confident	73.7	Confident	124 Å²	124	69.1 Å²	69.1	64%	0.636	38%	0.383	S	S	*	.			trans	-77.8	106.3	173.6	-58.9	173.1	0	0	0	108.5	P407 E415 Q419	P407-I417 VanDerWaalsContact CD-O 3.29Å; P407-I417 WeakPolarHBondContact CD-O 3.44Å; E415-I417 PolarHBondContact O-N 3.02Å; I417-Q419 HydrophobicContact CG2-CG 4.33Å
418	L	82.2	Confident	74.1	Confident	62 Å²	62	67.6 Å²	67.6	33%	0.325	37%	0.372	S	S	.	.			trans	-73.6	141.3	171	-57.3	-179.5	0	0	0	110.2	L404 P406 V416 T464	L404-L418 HydrophobicContact CB-CB 4.22Å; L404-L418 HydrophobicContact CB-CD1 4.35Å; L404-L418 HydrophobicContact CD2-CB 4.32Å; P406-L418 HydrophobicContact CB-CD2 4.37Å; P406-L418 HydrophobicContact CG-CD2 4.44Å; V416-L418 HydrophobicContact CG1-CD2 4.02Å; V416-L418 PolarHBondContact O-N 2.84Å; L418-T464 HydrophobicContact CD1-CG2 4.34Å; L418-T464 HydrophobicContact CD2-CG2 3.83Å
419	Q	86	Confident	75	Confident	85 Å²	85	60 Å²	60	40%	0.397	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.2	175.9	-63.5	-175.6	-0.2	0	0	110.1	F78 G403 L405 P407 I417 G421	F78-Q419 HydrophobicContact CZ-CB 4.06Å; G403-Q419 VanDerWaalsContact O-O 3.1Å; L405-Q419 PolarHBondContact N-O 3.18Å; L405-Q419 PolarHBondContact O-N 3.13Å; P407-Q419 HydrophobicContact CG-CB 4.07Å; P407-Q419 HydrophobicContact CG-CG 3.85Å; I417-Q419 HydrophobicContact CG2-CG 4.33Å; Q419-G421 PolarHBondContact O-N 3.01Å
420	Y	89.8	Confident	76.3	Confident	88 Å²	88	55.9 Å²	55.9	35%	0.345	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125.4	169	-77	-62.2	0	0	0	110.2	F82 I331 G403 L404 L456	F82-Y420 HydrophobicContact CD1-CD1 4.04Å; F82-Y420 HydrophobicContact CD1-CG 4.32Å; F82-Y420 HydrophobicContact CE1-CD1 4.05Å; I331-Y420 HydrophobicContact CD1-CE2 4.34Å; I331-Y420 VanDerWaalsContact CD1-OH 3.29Å; I331-Y420 WeakPolarHBondContact CD1-OH 3.45Å; G403-Y420 WeakPolarHBondContact O-CA 3.5Å; L404-Y420 HydrophobicContact CB-CE1 4.47Å; L404-Y420 HydrophobicContact CD1-CE1 4.35Å; L404-Y420 HydrophobicContact CD2-CD1 3.96Å; L404-Y420 HydrophobicContact CD2-CD2 3.95Å; L404-Y420 HydrophobicContact CD2-CE1 3.71Å; L404-Y420 HydrophobicContact CD2-CE2 3.77Å; L404-Y420 HydrophobicContact CD2-CG 4.05Å; L404-Y420 HydrophobicContact CG-CD1 4.04Å; L404-Y420 HydrophobicContact CG-CE1 3.48Å; L404-Y420 VanDerWaalsContact CG-CE1 3.48Å; L404-Y420 HydrophobicContact CG-CE2 4.31Å; Y420-L456 HydrophobicContact CD1-CD1 4.01Å; Y420-L456 HydrophobicContact CD1-CD2 3.99Å; Y420-L456 HydrophobicContact CD1-CG 4.26Å; Y420-L456 HydrophobicContact CE1-CD1 3.64Å; Y420-L456 HydrophobicContact CE1-CD2 3.26Å; Y420-L456 HydrophobicContact CE1-CG 3.45Å; Y420-L456 VanDerWaalsContact CE1-CG 3.45Å
421	G	91.3	Very high	77.9	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-180	-161.7	178.7	0	0	0	0	0	111.5	T79 V81 Q402 G403 Q419	T79-G421 CarbonylContact O-C 3.31Å; T79-G421 WeakPolarHBondContact O-CA 3.35Å; V81-G421 CarbonylContact O-C 3.59Å; Q402-G421 CarbonylContact C-O 3.4Å; Q402-G421 VanDerWaalsContact CA-O 3.32Å; Q402-G421 WeakPolarHBondContact CA-O 3.32Å; Q402-G421 WeakPolarHBondContact CB-O 3.08Å; G403-G421 PolarHBondContact N-O 3.12Å; G403-G421 PolarHBondContact O-N 3Å; Q419-G421 PolarHBondContact O-N 3.01Å
422	S	91.8	Very high	79.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	141.9	-175.9	88.8	0	0	0	0	112	S72 T79 V81 A84 R86 G401	S72-S422 WeakPolarHBondContact CB-OG 3.01Å; T79-S422 PolarHBondContact N-O 2.95Å; T79-S422 PolarHBondContact O-N 3.28Å; T79-S422 PolarHBondContact OG1-O 2.87Å; T79-S422 PolarHBondContact OG1-OG 3.43Å; V81-S422 WeakPolarHBondContact O-CB 3.43Å; V81-S422 PolarHBondContact O-N 3.19Å; V81-S422 PolarHBondContact O-OG 3.34Å; A84-S422 WeakPolarHBondContact CB-OG 3.47Å; R86-S422 PolarHBondContact NH2-OG 3.34Å; R86-S422 VanDerWaalsContact NH2-OG 3.16Å; G401-S422 CarbonylContact O-C 3.55Å; G401-S422 WeakPolarHBondContact O-CA 3.43Å
423	Q	90.3	Very high	81.4	Confident	18 Å²	18	43.9 Å²	43.9	8%	0.084	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	105.8	176.8	-175.3	170	7.9	0	0	109.5	V76 G401 L405 S425 R426	V76-Q423 WeakPolarHBondContact O-CG 3.28Å; V76-Q423 PolarHBondContact O-NE2 3.4Å; G401-Q423 WeakPolarHBondContact CA-O 3.44Å; G401-Q423 CarbonylContact O-C 3.48Å; G401-Q423 PolarHBondContact O-N 3.32Å; G401-Q423 VanDerWaalsContact O-O 3.12Å; L405-Q423 HydrophobicContact CD1-CB 4.26Å; Q423-S425 VanDerWaalsContact C-N 3.27Å; Q423-S425 WeakPolarHBondContact CG-OG 3.42Å; Q423-S425 PolarHBondContact NE2-OG 2.92Å; Q423-S425 PolarHBondContact O-N 3.13Å; Q423-R426 HydrophobicContact CB-CG 4.15Å; Q423-R426 HydrophobicContact CG-CG 4.04Å; Q423-R426 WeakPolarHBondContact O-CB 3.24Å; Q423-R426 PolarHBondContact O-N 2.72Å; Q423-R426 VanDerWaalsContact O-N 3.14Å
424	M	89.3	Confident	83.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	-34	-174.6	-74.5	-75.9	-82.8	0	0	113.9	S72 D73 R86 W111 L114 R426 Q427	S72-M424 WeakPolarHBondContact O-CG 3.26Å; D73-M424 HydrophobicContact CB-CE 4.41Å; D73-M424 HydrophobicContact CB-CG 4.35Å; R86-M424 WeakPolarHBondContact CD-SD 3.43Å; R86-M424 PolarHBondContact NE-SD 2.86Å; R86-M424 VanDerWaalsContact NE-SD 3.43Å; R86-M424 PolarHBondContact NH1-SD 2.87Å; W111-M424 HydrophobicContact CD2-CE 3.57Å; W111-M424 VanDerWaalsContact CE2-CE 3.46Å; W111-M424 HydrophobicContact CE3-CE 3.86Å; W111-M424 HydrophobicContact CG-CE 4.11Å; W111-M424 HydrophobicContact CH2-CE 4.01Å; W111-M424 HydrophobicContact CZ2-CE 3.7Å; W111-M424 HydrophobicContact CZ3-CE 4.09Å; L114-M424 HydrophobicContact CD1-CE 3.39Å; L114-M424 HydrophobicContact CD1-SD 4.05Å; M424-R426 PolarHBondContact O-N 3.43Å; M424-R426 VanDerWaalsContact O-N 3.12Å; M424-Q427 WeakPolarHBondContact O-CB 3.39Å; M424-Q427 PolarHBondContact O-N 3.05Å
425	S	85	Confident	84.4	Confident	17 Å²	17	37.9 Å²	37.9	12%	0.119	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-22.8	-179.2	57.1	0	0	0	0	113.5	V76 R117 Q423	V76-S425 PolarHBondContact O-OG 3.41Å; V76-S425 VanDerWaalsContact O-OG 3.04Å; R117-S425 PolarHBondContact NH2-O 2.81Å; Q423-S425 VanDerWaalsContact C-N 3.27Å; Q423-S425 WeakPolarHBondContact CG-OG 3.42Å; Q423-S425 PolarHBondContact NE2-OG 2.92Å; Q423-S425 PolarHBondContact O-N 3.13Å
426	R	85.8	Confident	85.3	Confident	20 Å²	20	30 Å²	30	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-8.7	177.5	-61.7	-179.2	176.7	-124.4	-21.4	114.3	D383 Q423 M424 Q428 T464	D383-R426 IonicContact OD1-CZ 2.64Å; D383-R426 IonicContact OD1-NH1 2.69Å; D383-R426 PolarHBondContact OD1-NH1 3.16Å; D383-R426 IonicContact OD1-NH2 3.04Å; D383-R426 PolarHBondContact OD1-NH2 2.96Å; D383-R426 IonicContact OD2-CZ 3.29Å; D383-R426 IonicContact OD2-NH1 3.13Å; D383-R426 PolarHBondContact OD2-NH1 3.49Å; Q423-R426 HydrophobicContact CB-CG 4.15Å; Q423-R426 HydrophobicContact CG-CG 4.04Å; Q423-R426 WeakPolarHBondContact O-CB 3.24Å; Q423-R426 PolarHBondContact O-N 2.72Å; Q423-R426 VanDerWaalsContact O-N 3.14Å; M424-R426 PolarHBondContact O-N 3.43Å; M424-R426 VanDerWaalsContact O-N 3.12Å; R426-Q428 WeakPolarHBondContact O-CG 3.46Å; R426-Q428 PolarHBondContact O-N 2.97Å; R426-T464 PolarHBondContact NH1-OG1 3.41Å
427	Q	88.8	Confident	85.5	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	125.8	177.2	176.9	-177	-15.9	0	0	109.4	F87 L114 R117 C399 M424	F87-Q427 PolarHBondContact O-NE2 2.8Å; L114-Q427 HydrophobicContact CD1-CB 4.26Å; L114-Q427 HydrophobicContact CD2-CB 3.64Å; L114-Q427 HydrophobicContact CD2-CG 3.96Å; L114-Q427 WeakPolarHBondContact CD2-O 3.05Å; R117-Q427 PolarHBondContact NH1-O 2.91Å; C399-Q427 WeakPolarHBondContact O-CA 3.49Å; M424-Q427 WeakPolarHBondContact O-CB 3.39Å; M424-Q427 PolarHBondContact O-N 3.05Å
428	Q	87.7	Confident	84.9	Confident	13 Å²	13	29.8 Å²	29.8	6%	0.061	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-99.7	173.6	-176.8	-61.4	-179.8	-48.6	0	0	111.3	Q379 T396 T397 C399 R426 F430	Q379-Q428 VanDerWaalsContact OE1-CB 3.31Å; T396-Q428 WeakPolarHBondContact OG1-CB 3.37Å; T397-Q428 PolarHBondContact OG1-OE1 2.85Å; C399-Q428 HydrophobicContact CB-CG 4.18Å; C399-Q428 PolarHBondContact O-N 3.29Å; R426-Q428 WeakPolarHBondContact O-CG 3.46Å; R426-Q428 PolarHBondContact O-N 2.97Å; Q428-F430 WeakPolarHBondContact O-CD2 3.29Å; Q428-F430 PolarHBondContact O-N 3Å
429	I	88.2	Confident	83.4	Confident	3 Å²	3	31 Å²	31	2%	0.015	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-69.3	129.8	172.2	-58.4	-170.4	0	0	0	108.8	T371 L372 V377 F394 T396 F494	T371-I429 HydrophobicContact CG2-CG2 3.93Å; L372-I429 HydrophobicContact CD2-CD1 3.58Å; L372-I429 HydrophobicContact CD2-CG2 4.04Å; V377-I429 HydrophobicContact CG1-CD1 3.66Å; F394-I429 HydrophobicContact CE2-CB 4.21Å; T396-I429 PolarHBondContact OG1-O 3.18Å; I429-F494 HydrophobicContact CG2-CD1 4.42Å; I429-F494 HydrophobicContact CG2-CE1 3.87Å
430	F	88.4	Confident	81.7	Confident	9 Å²	9	30.3 Å²	30.3	4%	0.039	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-96.2	144.5	177.4	-88.4	-98.9	0	0	0	111.6	V88 T371 C398 C399 Q428 Q454	V88-F430 HydrophobicContact CB-CB 4.18Å; V88-F430 HydrophobicContact CB-CD2 3.97Å; V88-F430 HydrophobicContact CB-CG 3.95Å; V88-F430 HydrophobicContact CG1-CD1 4.5Å; V88-F430 HydrophobicContact CG1-CD2 3.63Å; V88-F430 HydrophobicContact CG1-CE2 3.77Å; V88-F430 HydrophobicContact CG1-CG 4.02Å; V88-F430 HydrophobicContact CG1-CZ 4.24Å; T371-F430 WeakPolarHBondContact CG2-O 3.19Å; C398-F430 VanDerWaalsContact C-CZ 3.48Å; C398-F430 HydrophobicContact CB-CD1 4.36Å; C398-F430 HydrophobicContact CB-CE1 3.97Å; C398-F430 HydrophobicContact CB-CZ 4.43Å; C398-F430 WeakPolarHBondContact O-CE1 2.98Å; C398-F430 WeakPolarHBondContact O-CZ 3.24Å; C399-F430 WeakPolarHBondContact O-CE2 3.2Å; Q428-F430 WeakPolarHBondContact O-CD2 3.29Å; Q428-F430 PolarHBondContact O-N 3Å; F430-Q454 HydrophobicContact CE1-CG 3.84Å; F430-Q454 HydrophobicContact CZ-CG 4.43Å
431	P	89.7	Confident	79.5	Confident	11 Å²	11	29.6 Å²	29.6	7%	0.071	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-61.6	148.9	170.2	-20.9	32.3	0	0	0	112.8	C433 L468 L493 F494 I640	P431-C433 VanDerWaalsContact C-N 3.34Å; P431-C433 PolarHBondContact O-SG 2.86Å; P431-L468 HydrophobicContact CB-CD2 4.08Å; P431-L468 HydrophobicContact CG-CD2 3.71Å; P431-L493 CarbonylContact C-O 3.53Å; P431-L493 WeakPolarHBondContact CA-O 3.35Å; P431-L493 HydrophobicContact CB-CB 4.18Å; P431-L493 HydrophobicContact CB-CD2 3.83Å; P431-L493 WeakPolarHBondContact CB-O 2.99Å; P431-L493 HydrophobicContact CG-CD2 4.27Å; P431-F494 HydrophobicContact CB-CE1 4.37Å; P431-F494 HydrophobicContact CB-CE2 4.35Å; P431-F494 HydrophobicContact CB-CZ 4.03Å; P431-F494 HydrophobicContact CG-CE1 4.27Å; P431-F494 HydrophobicContact CG-CE2 4.01Å; P431-F494 HydrophobicContact CG-CZ 3.57Å; P431-I640 HydrophobicContact CG-CD1 3.71Å
432	T	87.8	Confident	77.2	Confident	21 Å²	21	36.6 Å²	36.6	13%	0.129	19%	0.193	C	C	.	.			trans	-68.9	-33.4	176.5	58.5	0	0	0	0	112.4	T371 R434 E492 L493	T371-T432 HydrophobicContact CG2-CG2 4.09Å; T371-T432 WeakPolarHBondContact OG1-CG2 3.21Å; T432-R434 PolarHBondContact O-N 3.4Å; T432-E492 PolarHBondContact OG1-O 3.41Å; T432-E492 PolarHBondContact OG1-OE1 2.73Å; T432-E492 VanDerWaalsContact OG1-OE1 3.05Å; T432-L493 PolarHBondContact N-O 2.81Å
433	C	85.7	Confident	74.8	Confident	7 Å²	7	44 Å²	44	5%	0.047	23%	0.233	C	C	.	.			trans	56.3	38.6	-178.4	-49	0	0	0	0	112.8	P431 T452 M491 E492	P431-C433 VanDerWaalsContact C-N 3.34Å; P431-C433 PolarHBondContact O-SG 2.86Å; C433-T452 HydrophobicContact CB-CG2 3.53Å; C433-M491 HydrophobicContact CB-SD 4.17Å; C433-E492 WeakPolarHBondContact CA-O 3.07Å; C433-E492 PolarHBondContact N-O 2.77Å
434	R	84.3	Confident	72.4	Confident	30 Å²	30	48.4 Å²	48.4	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.4	-175.4	-178.7	173.3	70.3	112.3	-5	110.7	D46 H368 T432 L436 M491 E492	D46-R434 IonicContact OD1-CZ 3.78Å; D46-R434 IonicContact OD1-NH1 3.33Å; D46-R434 PolarHBondContact OD1-NH1 2.89Å; D46-R434 IonicContact OD1-NH2 2.72Å; D46-R434 PolarHBondContact OD1-NH2 2.86Å; D46-R434 IonicContact OD2-NH1 2.89Å; D46-R434 PolarHBondContact OD2-NH1 2.95Å; H368-R434 VanDerWaalsContact CE1-CZ 3.48Å; H368-R434 PolarHBondContact CE1-NH1 2.9Å; H368-R434 PolarHBondContact NE2-NH1 3.3Å; T432-R434 PolarHBondContact O-N 3.4Å; R434-L436 HydrophobicContact CG-CD2 4.49Å; R434-M491 CarbonylContact O-C 3.47Å; R434-M491 WeakPolarHBondContact O-CA 3.41Å; R434-E492 HydrophobicContact CB-CB 4.22Å; R434-E492 IonicContact CZ-OE1 3.77Å; R434-E492 IonicContact CZ-OE2 2.71Å; R434-E492 PolarHBondContact N-O 2.86Å; R434-E492 IonicContact NE-OE1 3.22Å; R434-E492 PolarHBondContact NE-OE1 2.93Å; R434-E492 IonicContact NE-OE2 2.82Å; R434-E492 IonicContact NH2-OE1 2.83Å; R434-E492 PolarHBondContact NH2-OE1 2.66Å; R434-E492 IonicContact NH2-OE2 2.58Å; R434-E492 PolarHBondContact NH2-OE2 2.9Å; R434-E492 PolarHBondContact O-N 2.8Å
435	E	79.7	Confident	70.1	Confident	37 Å²	37	52.8 Å²	52.8	17%	0.173	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.9	174.3	-169.4	175	-164.3	0	0	110	K438 S449 L490	E435-K438 HydrophobicContact CG-CB 4.25Å; E435-S449 PolarHBondContact OE1-OG 2.98Å; E435-S449 PolarHBondContact OE2-OG 3.2Å; E435-S449 VanDerWaalsContact OE2-OG 3.14Å; E435-L490 CarbonylContact C-O 3.59Å; E435-L490 WeakPolarHBondContact CA-O 3.12Å
436	L	79.7	Confident	68	Low	33 Å²	33	52.8 Å²	52.8	17%	0.173	28%	0.279	C	S	.	.	S	Bend	trans	-92.4	-25.2	-172.9	-62.5	-176.3	0	0	0	113.9	R434 L490 E492 F538 R612	R434-L436 HydrophobicContact CG-CD2 4.49Å; L436-L490 HydrophobicContact CB-CB 4.08Å; L436-L490 PolarHBondContact N-O 3.22Å; L436-E492 HydrophobicContact CD1-CB 4.28Å; L436-E492 HydrophobicContact CD2-CB 4.06Å; L436-E492 HydrophobicContact CG-CB 4.18Å; L436-F538 HydrophobicContact CD1-CE2 4.01Å; L436-F538 HydrophobicContact CD1-CZ 3.63Å; L436-R612 VanDerWaalsContact CD2-NH1 3.25Å
437	N	68.3	Low	65.8	Low	87 Å²	87	59.3 Å²	59.3	47%	0.465	31%	0.308	S	S	.	.	S	Bend	trans	-89.3	-3.6	-173.5	-69.7	-8	0	0	0	113.9	D488 L490	N437-D488 PolarHBondContact ND2-O 2.95Å; N437-L490 VanDerWaalsContact ND2-CD1 3.29Å; N437-L490 WeakPolarHBondContact ND2-CD1 3.24Å; N437-L490 VanDerWaalsContact ND2-CG 3.34Å; N437-L490 WeakPolarHBondContact ND2-CG 3.33Å; N437-L490 WeakPolarHBondContact OD1-CD1 3.37Å
438	K	62.7	Low	63.7	Low	82 Å²	82	61 Å²	61	36%	0.357	32%	0.315	S	S	.	.	S	Bend	trans	-91	117.1	-177.9	-161.2	164.8	-172.1	158.3	0	109.9	E435 L440 K447	E435-K438 HydrophobicContact CG-CB 4.25Å; K438-L440 PolarHBondContact O-N 3.42Å; K438-L440 VanDerWaalsContact O-N 3.07Å; K438-K447 PolarHBondContact NZ-O 2.93Å
439	S	50.9	Low	61.8	Low	89 Å²	89	61.8 Å²	61.8	62%	0.622	32%	0.322	S	S	*	.			trans	-63.3	111.7	170.2	-174.5	0	0	0	0	108.8	T441	S439-T441 PolarHBondContact O-N 2.82Å; S439-T441 VanDerWaalsContact OG-CG2 3.3Å; S439-T441 WeakPolarHBondContact OG-CG2 3.45Å
440	L	51.6	Low	60.3	Low	70 Å²	70	61.9 Å²	61.9	37%	0.366	32%	0.323	S	S	.	.			trans	-75.9	73.5	171.2	-69.4	163	0	0	0	108	P350 M366 K438 A446	P350-L440 HydrophobicContact CB-CD1 4.1Å; P350-L440 HydrophobicContact CB-CD2 4.04Å; P350-L440 HydrophobicContact CG-CD2 4.05Å; M366-L440 HydrophobicContact CE-CD1 3.74Å; M366-L440 HydrophobicContact SD-CD1 3.46Å; M366-L440 WeakPolarHBondContact SD-CD1 3.25Å; K438-L440 PolarHBondContact O-N 3.42Å; K438-L440 VanDerWaalsContact O-N 3.07Å; L440-A446 HydrophobicContact CD2-CB 3.74Å
441	T	41.8	Very low	58.6	Low	72 Å²	72	62.5 Å²	62.5	44%	0.442	33%	0.328	S	S	.	.			trans	-73.9	151	172.5	68.7	0	0	0	0	110.2	S439 N443 D444	S439-T441 PolarHBondContact O-N 2.82Å; S439-T441 VanDerWaalsContact OG-CG2 3.3Å; S439-T441 WeakPolarHBondContact OG-CG2 3.45Å; T441-N443 PolarHBondContact O-N 3.1Å; T441-D444 PolarHBondContact O-N 3.49Å; T441-D444 VanDerWaalsContact O-N 3.07Å
442	E	44.4	Very low	57.3	Low	148 Å²	148	62.9 Å²	62.9	69%	0.692	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-12.5	-162	-64.7	-169.5	126.2	0	0	116.8	R354	R354-E442 IonicContact CZ-OE1 3.53Å; R354-E442 IonicContact NH1-OE1 3.49Å; R354-E442 PolarHBondContact NH1-OE1 2.88Å; R354-E442 VanDerWaalsContact NH1-OE1 3.16Å; R354-E442 IonicContact NH2-OE1 2.74Å; R354-E442 PolarHBondContact NH2-OE1 3.5Å
443	N	41.7	Very low	56.1	Low	156 Å²	156	62.2 Å²	62.2	83%	0.834	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-7.7	-179.6	-81.1	-29.1	0	0	0	115	T441 M445	T441-N443 PolarHBondContact O-N 3.1Å; N443-M445 PolarHBondContact O-N 3.35Å
444	D	39.4	Very low	55.4	Low	109 Å²	109	63 Å²	63	58%	0.583	33%	0.33	S	S	*	.			trans	-94.4	98.1	177.5	-76.4	-28	0	0	0	108.8	T441 A446	T441-D444 PolarHBondContact O-N 3.49Å; T441-D444 VanDerWaalsContact O-N 3.07Å; D444-A446 PolarHBondContact O-N 3.28Å; D444-A446 VanDerWaalsContact O-N 3.1Å
445	M	40.7	Very low	54.6	Low	93 Å²	93	62.4 Å²	62.4	46%	0.458	33%	0.329	S	S	.	.			trans	-48.7	125.2	160	-70.4	-145.7	-73.9	0	0	106.7	N443 K447	N443-M445 PolarHBondContact O-N 3.35Å; M445-K447 PolarHBondContact O-N 3.02Å
446	A	41	Very low	53.9	Low	17 Å²	17	60.8 Å²	60.8	14%	0.14	32%	0.322	C	S	.	.			trans	-54.1	92.3	175.5	0	0	0	0	0	108.1	P350 L440 D444 F448	P350-A446 HydrophobicContact CG-CB 4.11Å; L440-A446 HydrophobicContact CD2-CB 3.74Å; D444-A446 PolarHBondContact O-N 3.28Å; D444-A446 VanDerWaalsContact O-N 3.1Å; A446-F448 HydrophobicContact CB-CD2 4.3Å; A446-F448 HydrophobicContact CB-CE2 4.14Å; A446-F448 WeakPolarHBondContact O-CD2 3.43Å; A446-F448 PolarHBondContact O-N 3.16Å
447	K	39.7	Very low	53.2	Low	157 Å²	157	61.8 Å²	61.8	68%	0.683	33%	0.325	S	S	*	.			trans	-65.9	94.2	156.6	-71.7	-176.2	-179.7	178.4	0	102.2	K438 M445 S449	K438-K447 PolarHBondContact NZ-O 2.93Å; M445-K447 PolarHBondContact O-N 3.02Å; K447-S449 PolarHBondContact O-N 2.97Å
448	F	45.7	Very low	52.6	Low	36 Å²	36	60.1 Å²	60.1	16%	0.158	32%	0.318	C	S	.	.			trans	-52	121.2	167.9	-74.6	-106.2	0	0	0	104.4	A446 F450	A446-F448 HydrophobicContact CB-CD2 4.3Å; A446-F448 HydrophobicContact CB-CE2 4.14Å; A446-F448 WeakPolarHBondContact O-CD2 3.43Å; A446-F448 PolarHBondContact O-N 3.16Å; F448-F450 WeakPolarHBondContact CB-O 3.49Å; F448-F450 PolarHBondContact O-N 3.41Å
449	S	46.2	Very low	52.3	Low	30 Å²	30	56.6 Å²	56.6	21%	0.21	31%	0.305	C	S	.	.	S	Bend	trans	-58.3	-11.7	170.1	46.8	0	0	0	0	110.7	E435 K447 E473	E435-S449 PolarHBondContact OE1-OG 2.98Å; E435-S449 PolarHBondContact OE2-OG 3.2Å; E435-S449 VanDerWaalsContact OE2-OG 3.14Å; K447-S449 PolarHBondContact O-N 2.97Å; S449-E473 WeakPolarHBondContact O-CB 3.49Å; S449-E473 WeakPolarHBondContact O-CG 3.28Å; S449-E473 PolarHBondContact O-N 3.14Å
450	F	56.3	Low	52.9	Low	6 Å²	6	52.5 Å²	52.5	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.1	178.9	-40	-59.9	0	0	0	113.9	F448 I470 R471 F472 W617 W619	F448-F450 WeakPolarHBondContact CB-O 3.49Å; F448-F450 PolarHBondContact O-N 3.41Å; F450-I470 HydrophobicContact CB-CG2 4.03Å; F450-I470 HydrophobicContact CG-CG2 4.23Å; F450-R471 WeakPolarHBondContact CA-O 3.33Å; F450-R471 WeakPolarHBondContact CB-O 3.39Å; F450-F472 AromaticContact CD1-CD1 3.53Å; F450-F472 HydrophobicContact CD1-CD1 3.53Å; F450-F472 HydrophobicContact CD1-CE1 4.12Å; F450-F472 AromaticContact CE1-CD1 3.57Å; F450-F472 HydrophobicContact CE1-CD1 3.57Å; F450-F472 HydrophobicContact CE1-CE1 4.02Å; F450-W617 HydrophobicContact CD1-CZ2 4Å; F450-W617 HydrophobicContact CD2-CH2 4.01Å; F450-W617 AromaticContact CD2-CZ2 3.88Å; F450-W617 HydrophobicContact CD2-CZ2 3.88Å; F450-W617 AromaticContact CE1-CZ2 3.5Å; F450-W617 HydrophobicContact CE1-CZ2 3.5Å; F450-W617 AromaticContact CE2-CH2 3.72Å; F450-W617 HydrophobicContact CE2-CH2 3.72Å; F450-W617 AromaticContact CE2-CZ2 3.34Å; F450-W617 HydrophobicContact CE2-CZ2 3.34Å; F450-W617 HydrophobicContact CG-CZ2 4.19Å; F450-W617 AromaticContact CZ-CE2 3.85Å; F450-W617 HydrophobicContact CZ-CH2 4.03Å; F450-W617 AromaticContact CZ-CZ2 3.16Å; F450-W617 HydrophobicContact CZ-CZ2 3.16Å; F450-W619 AromaticContact CE1-CH2 3.93Å; F450-W619 HydrophobicContact CE1-CH2 3.93Å; F450-W619 AromaticContact CE1-CZ2 3.76Å; F450-W619 HydrophobicContact CE1-CZ2 3.76Å; F450-W619 HydrophobicContact CZ-CZ2 4.04Å
451	S	53.4	Low	53.6	Low	22 Å²	22	53.3 Å²	53.3	15%	0.154	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.7	167.1	57.2	0	0	0	0	109.3	R471	S451-R471 PolarHBondContact N-O 3.26Å; S451-R471 PolarHBondContact O-N 3.39Å; S451-R471 VanDerWaalsContact O-N 3.14Å; S451-R471 VanDerWaalsContact OG-CZ 3.25Å; S451-R471 PolarHBondContact OG-NE 3.45Å; S451-R471 PolarHBondContact OG-NH2 3.12Å
452	T	62.2	Low	54.7	Low	19 Å²	19	52.5 Å²	52.5	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.9	172.4	52	0	0	0	0	110.4	T342 C433 L468 C469 I470	T342-T452 WeakPolarHBondContact CB-O 3.47Å; T342-T452 WeakPolarHBondContact CG2-O 3.27Å; T342-T452 PolarHBondContact OG1-O 2.98Å; C433-T452 HydrophobicContact CB-CG2 3.53Å; T452-L468 HydrophobicContact CG2-CD1 4.01Å; T452-C469 CarbonylContact C-O 3.59Å; T452-C469 VanDerWaalsContact CA-O 3.23Å; T452-C469 WeakPolarHBondContact CA-O 2.92Å; T452-I470 HydrophobicContact CG2-CG1 4.19Å
453	V	62.2	Low	55.9	Low	7 Å²	7	46.1 Å²	46.1	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.7	177.1	179.6	0	0	0	0	108.3	A338 E339 C469	A338-V453 HydrophobicContact CB-CG1 4.15Å; E339-V453 HydrophobicContact CG-CG2 3.73Å; V453-C469 HydrophobicContact CB-CB 4.36Å; V453-C469 PolarHBondContact N-O 2.84Å; V453-C469 WeakPolarHBondContact O-CA 3.48Å; V453-C469 WeakPolarHBondContact O-CB 3.32Å; V453-C469 PolarHBondContact O-N 3.04Å
454	Q	72.6	Confident	57.5	Low	24 Å²	24	39.1 Å²	39.1	11%	0.112	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.8	172.1	-64.7	173	-0.6	0	0	107.3	F334 A338 F430 C467	F334-Q454 HydrophobicContact CE1-CB 3.9Å; F334-Q454 WeakPolarHBondContact CE1-O 3.19Å; F334-Q454 HydrophobicContact CZ-CB 3.77Å; A338-Q454 HydrophobicContact CB-CB 4.45Å; F430-Q454 HydrophobicContact CE1-CG 3.84Å; F430-Q454 HydrophobicContact CZ-CG 4.43Å; Q454-C467 WeakPolarHBondContact CA-O 3.45Å
455	V	66.6	Low	59.5	Low	16 Å²	16	34 Å²	34	10%	0.097	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143	179.8	175.6	0	0	0	0	109.1	E457 T466 C467 C469 L636	V455-E457 HydrophobicContact CG1-CB 4.12Å; V455-E457 HydrophobicContact CG1-CG 3.74Å; V455-T466 CarbonylContact O-C 3.57Å; V455-T466 WeakPolarHBondContact O-CA 3.45Å; V455-T466 WeakPolarHBondContact O-CB 3.16Å; V455-C467 PolarHBondContact N-O 2.97Å; V455-C467 PolarHBondContact O-N 3.5Å; V455-C469 HydrophobicContact CG2-CB 3.59Å; V455-L636 HydrophobicContact CG2-CD2 4.17Å
456	L	65.6	Low	61.7	Low	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.153	C	C	.	.			trans	-89.6	-1.1	-168.9	-178.5	62.2	0	0	0	114.4	F82 I331 F334 Y420	F82-L456 HydrophobicContact CE1-CD1 4.14Å; F82-L456 HydrophobicContact CE1-CD2 3.5Å; F82-L456 VanDerWaalsContact CE1-CD2 3.5Å; F82-L456 HydrophobicContact CE1-CG 4.46Å; F82-L456 HydrophobicContact CE2-CD1 3.6Å; F82-L456 HydrophobicContact CE2-CD2 4.39Å; F82-L456 HydrophobicContact CZ-CD1 3.33Å; F82-L456 HydrophobicContact CZ-CD2 3.31Å; F82-L456 HydrophobicContact CZ-CG 3.9Å; I331-L456 HydrophobicContact CB-CD2 3.76Å; I331-L456 HydrophobicContact CD1-CD2 4Å; I331-L456 HydrophobicContact CG1-CD2 3.46Å; I331-L456 VanDerWaalsContact CG1-CD2 3.46Å; I331-L456 HydrophobicContact CG2-CB 4.42Å; I331-L456 HydrophobicContact CG2-CD2 3.61Å; F334-L456 HydrophobicContact CD1-CB 4.36Å; Y420-L456 HydrophobicContact CD1-CD1 4.01Å; Y420-L456 HydrophobicContact CD1-CD2 3.99Å; Y420-L456 HydrophobicContact CD1-CG 4.26Å; Y420-L456 HydrophobicContact CE1-CD1 3.64Å; Y420-L456 HydrophobicContact CE1-CD2 3.26Å; Y420-L456 HydrophobicContact CE1-CG 3.45Å; Y420-L456 VanDerWaalsContact CE1-CG 3.45Å
457	E	64.2	Low	63.8	Low	53 Å²	53	29 Å²	29	25%	0.248	15%	0.147	C	C	.	.	S	Bend	trans	-69.6	163.1	-168.2	-68.1	-177.9	171.8	0	0	112.8	V455 G459 K519	V455-E457 HydrophobicContact CG1-CB 4.12Å; V455-E457 HydrophobicContact CG1-CG 3.74Å; E457-G459 PolarHBondContact O-N 3.02Å; E457-K519 WeakPolarHBondContact OE1-CE 3.06Å; E457-K519 IonicContact OE1-NZ 3.9Å; E457-K519 PolarHBondContact OE1-NZ 2.91Å
458	T	56	Low	66.1	Low	53 Å²	53	21.8 Å²	21.8	33%	0.325	12%	0.116	S	C	.	.			trans	-49.4	115.9	178.7	49	0	0	0	0	108.3	L404 N570	L404-T458 HydrophobicContact CD1-CG2 4.16Å; T458-N570 WeakPolarHBondContact OG1-CB 3.46Å
459	G	56.7	Low	67.9	Low	8 Å²	8	20 Å²	20	8%	0.082	11%	0.109	C	C	.	.			trans	-62.4	-173.8	-173.4	0	0	0	0	0	112.4	E457 E461 F463 N570	E457-G459 PolarHBondContact O-N 3.02Å; G459-E461 PolarHBondContact O-N 2.76Å; G459-F463 CarbonylContact C-O 3.46Å; G459-F463 VanDerWaalsContact C-O 3.31Å; G459-F463 WeakPolarHBondContact CA-O 3.21Å; G459-F463 PolarHBondContact N-O 2.9Å; G459-N570 PolarHBondContact O-ND2 3.06Å; G459-N570 VanDerWaalsContact O-ND2 3.14Å
460	Y	62.6	Low	69.6	Low	3 Å²	3	18.6 Å²	18.6	1%	0.012	10%	0.099	C	C	.	.	S	Bend	trans	-73.8	123.8	-179.8	179	-97.5	0	0	0	110.1	K462 F463 A511 K569 W574 V576 L639	Y460-K462 PolarHBondContact O-N 3.11Å; Y460-F463 HydrophobicContact CD1-CD2 4.09Å; Y460-F463 HydrophobicContact CD1-CE2 4.4Å; Y460-F463 VanDerWaalsContact O-CB 3.26Å; Y460-F463 WeakPolarHBondContact O-CB 3.19Å; Y460-F463 WeakPolarHBondContact O-CD2 3.31Å; Y460-F463 PolarHBondContact O-N 2.79Å; Y460-A511 HydrophobicContact CD1-CB 4.4Å; Y460-A511 HydrophobicContact CD2-CB 3.5Å; Y460-A511 VanDerWaalsContact CD2-CB 3.5Å; Y460-A511 HydrophobicContact CE1-CB 4.44Å; Y460-A511 HydrophobicContact CE2-CB 3.52Å; Y460-A511 HydrophobicContact CG-CB 3.97Å; Y460-K569 HydrophobicContact CD2-CD 4.39Å; Y460-K569 HydrophobicContact CE2-CD 3.83Å; Y460-K569 PolarHBondContact OH-NZ 2.84Å; Y460-W574 HydrophobicContact CD2-CB 4.22Å; Y460-W574 AromaticContact CD2-CD2 3.92Å; Y460-W574 HydrophobicContact CD2-CD2 3.92Å; Y460-W574 HydrophobicContact CD2-CE3 4.21Å; Y460-W574 AromaticContact CD2-CG 3.95Å; Y460-W574 HydrophobicContact CD2-CG 3.95Å; Y460-W574 HydrophobicContact CE2-CB 4.13Å; Y460-W574 HydrophobicContact CE2-CG 4.36Å; Y460-V576 HydrophobicContact CE2-CG2 3.94Å; Y460-V576 WeakPolarHBondContact OH-CG2 3.25Å; Y460-L639 HydrophobicContact CD1-CB 4.21Å; Y460-L639 HydrophobicContact CD1-CD2 4.3Å; Y460-L639 HydrophobicContact CE1-CD2 3.99Å
461	E	67.8	Low	70.5	Confident	87 Å²	87	20.3 Å²	20.3	41%	0.407	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-115.2	-180	-62.5	177.2	-179.5	0	0	114.2	G459 K569	G459-E461 PolarHBondContact O-N 2.76Å; E461-K569 HydrophobicContact CG-CD 3.88Å; E461-K569 IonicContact OE1-NZ 3.92Å; E461-K569 PolarHBondContact OE1-NZ 2.61Å
462	K	64.3	Low	71.3	Confident	55 Å²	55	20 Å²	20	24%	0.239	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.8	178.3	57.3	-179.3	159.3	174.2	0	113.2	L384 E386 Y460	L384-K462 HydrophobicContact CD2-CD 3.35Å; L384-K462 HydrophobicContact CD2-CG 3.81Å; E386-K462 IonicContact OE1-NZ 2.81Å; E386-K462 PolarHBondContact OE1-NZ 3.12Å; E386-K462 IonicContact OE2-NZ 3.4Å; E386-K462 PolarHBondContact OE2-NZ 3.48Å; Y460-K462 PolarHBondContact O-N 3.11Å
463	F	69.9	Low	71.2	Confident	13 Å²	13	24.1 Å²	24.1	6%	0.057	12%	0.119	C	C	.	.			trans	-83.2	140.4	179.4	-56.6	-79.3	0	0	0	110.5	L384 T397 G459 Y460	L384-F463 HydrophobicContact CD1-CE1 3.71Å; L384-F463 HydrophobicContact CD1-CZ 3.81Å; L384-F463 HydrophobicContact CD2-CD1 4.22Å; L384-F463 HydrophobicContact CD2-CE1 3.5Å; L384-F463 HydrophobicContact CD2-CZ 3.73Å; L384-F463 HydrophobicContact CG-CE1 3.64Å; L384-F463 HydrophobicContact CG-CZ 4.1Å; T397-F463 HydrophobicContact CG2-CB 3.58Å; T397-F463 HydrophobicContact CG2-CD1 3.59Å; T397-F463 HydrophobicContact CG2-CD2 3.72Å; T397-F463 HydrophobicContact CG2-CE1 4.1Å; T397-F463 HydrophobicContact CG2-CE2 4.25Å; T397-F463 HydrophobicContact CG2-CG 3.36Å; T397-F463 HydrophobicContact CG2-CZ 4.4Å; G459-F463 CarbonylContact C-O 3.46Å; G459-F463 VanDerWaalsContact C-O 3.31Å; G459-F463 WeakPolarHBondContact CA-O 3.21Å; G459-F463 PolarHBondContact N-O 2.9Å; Y460-F463 HydrophobicContact CD1-CD2 4.09Å; Y460-F463 HydrophobicContact CD1-CE2 4.4Å; Y460-F463 VanDerWaalsContact O-CB 3.26Å; Y460-F463 WeakPolarHBondContact O-CB 3.19Å; Y460-F463 WeakPolarHBondContact O-CD2 3.31Å; Y460-F463 PolarHBondContact O-N 2.79Å
464	T	73.8	Confident	70.8	Confident	10 Å²	10	30.2 Å²	30.2	6%	0.061	15%	0.147	C	C	.	.			trans	-131.4	170	-168	73.6	0	0	0	0	111.5	D383 C399 L404 L405 P406 L418 R426	D383-T464 PolarHBondContact OD2-OG1 3.44Å; C399-T464 PolarHBondContact SG-O 2.59Å; L404-T464 WeakPolarHBondContact O-CB 3.06Å; L405-T464 WeakPolarHBondContact CD2-OG1 3.29Å; P406-T464 WeakPolarHBondContact CD-OG1 3.31Å; L418-T464 HydrophobicContact CD1-CG2 4.34Å; L418-T464 HydrophobicContact CD2-CG2 3.83Å; R426-T464 PolarHBondContact NH1-OG1 3.41Å
465	G	82.7	Confident	69.3	Low	1 Å²	1	32 Å²	32	1%	0.01	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	102.1	-97	176.1	0	0	0	0	0	114.5	Q402 L404	Q402-G465 CarbonylContact O-C 3.51Å; Q402-G465 VanDerWaalsContact O-C 3.27Å; Q402-G465 WeakPolarHBondContact O-CA 3.45Å; L404-G465 PolarHBondContact O-N 3.4Å
466	T	87.3	Confident	68	Low	1 Å²	1	37 Å²	37	1%	0.006	19%	0.188	C	C	.	.			trans	-136.1	161	-179.1	59.5	0	0	0	0	113.2	F334 T397 C398 C399 S400 V455	F334-T466 HydrophobicContact CE1-CG2 3.87Å; F334-T466 HydrophobicContact CZ-CG2 3.81Å; T397-T466 VanDerWaalsContact O-O 3.09Å; C398-T466 CarbonylContact C-O 3.44Å; C398-T466 CarbonylContact O-C 3.44Å; C398-T466 VanDerWaalsContact O-O 3.13Å; C398-T466 PolarHBondContact O-OG1 2.78Å; C399-T466 WeakPolarHBondContact CA-OG1 3.34Å; S400-T466 WeakPolarHBondContact CB-OG1 2.79Å; S400-T466 PolarHBondContact N-OG1 2.8Å; S400-T466 WeakPolarHBondContact OG-CG2 3.43Å; S400-T466 PolarHBondContact OG-OG1 2.96Å; V455-T466 CarbonylContact O-C 3.57Å; V455-T466 WeakPolarHBondContact O-CA 3.45Å; V455-T466 WeakPolarHBondContact O-CB 3.16Å
467	C	85	Confident	66.7	Low	4 Å²	4	40.3 Å²	40.3	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	168.4	168	66.1	0	0	0	0	111.2	Q454 V455 L637	Q454-C467 WeakPolarHBondContact CA-O 3.45Å; V455-C467 PolarHBondContact N-O 2.97Å; V455-C467 PolarHBondContact O-N 3.5Å; C467-L637 WeakPolarHBondContact CB-O 3.36Å
468	L	86.2	Confident	65.2	Low	5 Å²	5	45.9 Å²	45.9	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.8	177	173.4	64.1	0	0	0	110	C398 P431 T452 I470 L636 L637	C398-L468 HydrophobicContact CB-CB 3.84Å; P431-L468 HydrophobicContact CB-CD2 4.08Å; P431-L468 HydrophobicContact CG-CD2 3.71Å; T452-L468 HydrophobicContact CG2-CD1 4.01Å; L468-I470 HydrophobicContact CD2-CD1 4.18Å; L468-I470 HydrophobicContact CD2-CG1 4.4Å; L468-I470 HydrophobicContact CG-CD1 4.4Å; L468-I470 HydrophobicContact CG-CG1 4.25Å; L468-L636 CarbonylContact O-C 3.47Å; L468-L636 VanDerWaalsContact O-CA 3.28Å; L468-L636 WeakPolarHBondContact O-CA 3.49Å; L468-L637 HydrophobicContact CB-CB 4.36Å; L468-L637 HydrophobicContact CD2-CD1 4.15Å; L468-L637 PolarHBondContact N-O 2.79Å; L468-L637 VanDerWaalsContact N-O 3.12Å; L468-L637 PolarHBondContact O-N 3.12Å
469	C	84.4	Confident	64.3	Low	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.6	170.3	-178.7	0	0	0	0	109.8	T452 V453 V455 R471 Y515 F635 L636	T452-C469 CarbonylContact C-O 3.59Å; T452-C469 VanDerWaalsContact CA-O 3.23Å; T452-C469 WeakPolarHBondContact CA-O 2.92Å; V453-C469 HydrophobicContact CB-CB 4.36Å; V453-C469 PolarHBondContact N-O 2.84Å; V453-C469 WeakPolarHBondContact O-CA 3.48Å; V453-C469 WeakPolarHBondContact O-CB 3.32Å; V453-C469 PolarHBondContact O-N 3.04Å; V455-C469 HydrophobicContact CG2-CB 3.59Å; C469-R471 WeakPolarHBondContact SG-CG 3.28Å; C469-Y515 VanDerWaalsContact SG-CD1 3.59Å; C469-F635 WeakPolarHBondContact CA-O 3.25Å; C469-L636 HydrophobicContact CB-CD2 3.42Å; C469-L636 VanDerWaalsContact CB-CD2 3.42Å; C469-L636 VanDerWaalsContact SG-CD2 3.6Å
470	I	80.8	Confident	63.2	Low	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	104.7	172.9	-68.4	152	0	0	0	106.3	F450 T452 L468 M491 G634 F635 L637	F450-I470 HydrophobicContact CB-CG2 4.03Å; F450-I470 HydrophobicContact CG-CG2 4.23Å; T452-I470 HydrophobicContact CG2-CG1 4.19Å; L468-I470 HydrophobicContact CD2-CD1 4.18Å; L468-I470 HydrophobicContact CD2-CG1 4.4Å; L468-I470 HydrophobicContact CG-CD1 4.4Å; L468-I470 HydrophobicContact CG-CG1 4.25Å; I470-M491 HydrophobicContact CD1-CE 3.41Å; I470-M491 VanDerWaalsContact CD1-CE 3.41Å; I470-M491 HydrophobicContact CD1-SD 4Å; I470-M491 HydrophobicContact CG1-CE 4.23Å; I470-M491 HydrophobicContact CG1-SD 4.18Å; I470-M491 HydrophobicContact CG2-SD 4.34Å; I470-G634 CarbonylContact O-C 3.59Å; I470-G634 WeakPolarHBondContact O-CA 3.12Å; I470-F635 HydrophobicContact CB-CD2 4.18Å; I470-F635 HydrophobicContact CB-CE1 4.2Å; I470-F635 HydrophobicContact CB-CE2 3.88Å; I470-F635 HydrophobicContact CB-CZ 3.87Å; I470-F635 HydrophobicContact CD1-CD2 3.9Å; I470-F635 HydrophobicContact CD1-CE2 3.16Å; I470-F635 HydrophobicContact CD1-CZ 3.66Å; I470-F635 HydrophobicContact CG1-CE2 4.11Å; I470-F635 HydrophobicContact CG1-CZ 4.36Å; I470-F635 HydrophobicContact CG2-CD1 4.5Å; I470-F635 HydrophobicContact CG2-CE1 3.82Å; I470-F635 HydrophobicContact CG2-CE2 4.19Å; I470-F635 HydrophobicContact CG2-CZ 3.64Å; I470-F635 PolarHBondContact N-O 2.84Å; I470-F635 PolarHBondContact O-N 3.43Å; I470-L637 HydrophobicContact CD1-CD1 3.68Å; I470-L637 HydrophobicContact CD1-CG 4.1Å
471	R	76.1	Confident	62	Low	41 Å²	41	53 Å²	53	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.9	-178.6	-61.6	-172.6	-63	-177.1	0.2	111.2	E339 F450 S451 C469 Y515 N633	E339-R471 IonicContact OE1-CZ 3.95Å; E339-R471 VanDerWaalsContact OE1-CZ 3.29Å; E339-R471 IonicContact OE1-NH1 3.19Å; E339-R471 PolarHBondContact OE1-NH1 2.89Å; E339-R471 IonicContact OE1-NH2 3.73Å; E339-R471 PolarHBondContact OE1-NH2 3.03Å; F450-R471 WeakPolarHBondContact CA-O 3.33Å; F450-R471 WeakPolarHBondContact CB-O 3.39Å; S451-R471 PolarHBondContact N-O 3.26Å; S451-R471 PolarHBondContact O-N 3.39Å; S451-R471 VanDerWaalsContact O-N 3.14Å; S451-R471 VanDerWaalsContact OG-CZ 3.25Å; S451-R471 PolarHBondContact OG-NE 3.45Å; S451-R471 PolarHBondContact OG-NH2 3.12Å; C469-R471 WeakPolarHBondContact SG-CG 3.28Å; R471-Y515 HydrophobicContact CG-CD1 4.31Å; R471-Y515 HydrophobicContact CG-CE1 4.11Å; R471-N633 CarbonylContact C-O 3.53Å; R471-N633 WeakPolarHBondContact CA-O 3.47Å
472	F	70.5	Confident	60.6	Low	16 Å²	16	57.3 Å²	57.3	7%	0.07	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.9	171.8	-56.1	-30.7	0	0	0	109.8	F450 Q474 W617 W619 I622 F632 N633 F635	F450-F472 AromaticContact CD1-CD1 3.53Å; F450-F472 HydrophobicContact CD1-CD1 3.53Å; F450-F472 HydrophobicContact CD1-CE1 4.12Å; F450-F472 AromaticContact CE1-CD1 3.57Å; F450-F472 HydrophobicContact CE1-CD1 3.57Å; F450-F472 HydrophobicContact CE1-CE1 4.02Å; F472-Q474 PolarHBondContact O-N 3.48Å; F472-Q474 VanDerWaalsContact O-N 3.15Å; F472-W617 AromaticContact CE1-CZ2 4Å; F472-W617 HydrophobicContact CE1-CZ2 4Å; F472-W617 AromaticContact CE1-NE1 3.9Å; F472-W619 HydrophobicContact CB-CH2 3.88Å; F472-W619 HydrophobicContact CB-CZ3 4.18Å; F472-W619 AromaticContact CD1-CH2 3.85Å; F472-W619 HydrophobicContact CD1-CH2 3.85Å; F472-W619 HydrophobicContact CD1-CZ3 4.3Å; F472-W619 HydrophobicContact CD2-CH2 4.17Å; F472-W619 AromaticContact CD2-CZ3 3.84Å; F472-W619 HydrophobicContact CD2-CZ3 3.84Å; F472-W619 HydrophobicContact CE1-CH2 4.42Å; F472-W619 HydrophobicContact CE2-CZ3 4.24Å; F472-W619 AromaticContact CG-CH2 3.71Å; F472-W619 HydrophobicContact CG-CH2 3.71Å; F472-W619 AromaticContact CG-CZ3 3.86Å; F472-W619 HydrophobicContact CG-CZ3 3.86Å; F472-I622 HydrophobicContact CE2-CD1 4.02Å; F472-I622 HydrophobicContact CE2-CG2 3.92Å; F472-I622 HydrophobicContact CZ-CD1 3.78Å; F472-F632 AromaticContact CD2-CD1 3.99Å; F472-F632 HydrophobicContact CD2-CD1 3.99Å; F472-F632 HydrophobicContact CD2-CE1 4.14Å; F472-F632 AromaticContact CE2-CD1 3.56Å; F472-F632 HydrophobicContact CE2-CD1 3.56Å; F472-F632 AromaticContact CE2-CE1 3.34Å; F472-F632 HydrophobicContact CE2-CE1 3.34Å; F472-F632 AromaticContact CZ-CE1 3.98Å; F472-F632 HydrophobicContact CZ-CE1 3.98Å; F472-N633 PolarHBondContact N-O 2.92Å; F472-F635 HydrophobicContact CE1-CD1 4.12Å; F472-F635 AromaticContact CE1-CE1 3.79Å; F472-F635 HydrophobicContact CE1-CE1 3.79Å; F472-F635 AromaticContact CZ-CD1 3.81Å; F472-F635 HydrophobicContact CZ-CD1 3.81Å; F472-F635 AromaticContact CZ-CE1 3.81Å; F472-F635 HydrophobicContact CZ-CE1 3.81Å
473	E	60.4	Low	59.4	Low	106 Å²	106	62.5 Å²	62.5	50%	0.495	31%	0.311	S	S	.	.	S	Bend	trans	-72.3	-1.9	-174.6	-75.6	-158.4	160.2	0	0	114.7	S449	S449-E473 WeakPolarHBondContact O-CB 3.49Å; S449-E473 WeakPolarHBondContact O-CG 3.28Å; S449-E473 PolarHBondContact O-N 3.14Å
474	Q	53.5	Low	57.8	Low	134 Å²	134	67.6 Å²	67.6	63%	0.626	34%	0.335	S	S	*	.			trans	-132.3	94	177.5	-77.1	179.4	-41	0	0	111.4	F472 D476 I477	F472-Q474 PolarHBondContact O-N 3.48Å; F472-Q474 VanDerWaalsContact O-N 3.15Å; Q474-D476 PolarHBondContact O-N 2.97Å; Q474-I477 HydrophobicContact CB-CD1 3.3Å; Q474-I477 HydrophobicContact CB-CG1 3.53Å; Q474-I477 HydrophobicContact CG-CD1 4.09Å; Q474-I477 HydrophobicContact CG-CG1 3.91Å
475	S	41.6	Very low	56.2	Low	63 Å²	63	75.2 Å²	75.2	44%	0.441	37%	0.37	S	S	.	.	S	Bend	trans	-78.9	1.8	171.8	49.1	0	0	0	0	113.9
476	D	38.7	Very low	54.4	Low	121 Å²	121	79.4 Å²	79.4	65%	0.647	40%	0.399	S	S	*	.			trans	-133.9	9.3	-171.7	-71.4	-30.5	0	0	0	115.4	Q474 L478 K631	Q474-D476 PolarHBondContact O-N 2.97Å; D476-L478 PolarHBondContact O-N 3.42Å; D476-L478 VanDerWaalsContact O-N 3.09Å; D476-K631 IonicContact OD1-NZ 2.95Å; D476-K631 PolarHBondContact OD1-NZ 3.49Å
477	I	37.6	Very low	52.9	Low	73 Å²	73	84.7 Å²	84.7	37%	0.374	43%	0.428	S	S	.	.			trans	-73.7	108.5	166.2	5.3	84.5	0	0	0	110	Q474 V479	Q474-I477 HydrophobicContact CB-CD1 3.3Å; Q474-I477 HydrophobicContact CB-CG1 3.53Å; Q474-I477 HydrophobicContact CG-CD1 4.09Å; Q474-I477 HydrophobicContact CG-CG1 3.91Å; I477-V479 HydrophobicContact CG2-CB 4.49Å; I477-V479 HydrophobicContact CG2-CG2 3.78Å; I477-V479 PolarHBondContact O-N 3.17Å
478	L	33.3	Very low	51.9	Low	170 Å²	170	87.4 Å²	87.4	89%	0.89	44%	0.442	S	S	*	.			trans	-53.2	92.1	149.1	-97.6	144.4	0	0	0	106.8	D476 N480	D476-L478 PolarHBondContact O-N 3.42Å; D476-L478 VanDerWaalsContact O-N 3.09Å; L478-N480 PolarHBondContact O-N 3.08Å
479	V	37.4	Very low	51.3	Low	16 Å²	16	87.8 Å²	87.8	10%	0.097	45%	0.445	C	S	.	.			trans	-61.9	110.1	169.8	176.7	0	0	0	0	105.8	I477 F481 L623	I477-V479 HydrophobicContact CG2-CB 4.49Å; I477-V479 HydrophobicContact CG2-CG2 3.78Å; I477-V479 PolarHBondContact O-N 3.17Å; V479-F481 VanDerWaalsContact C-N 3.3Å; V479-F481 HydrophobicContact CB-CZ 4.42Å; V479-F481 HydrophobicContact CG1-CD1 4.18Å; V479-F481 HydrophobicContact CG1-CE1 4.24Å; V479-F481 HydrophobicContact CG1-CG 4.49Å; V479-F481 VanDerWaalsContact O-CD2 3.23Å; V479-F481 WeakPolarHBondContact O-CD2 3.48Å; V479-F481 PolarHBondContact O-N 3.17Å; V479-L623 HydrophobicContact CB-CD1 4.31Å; V479-L623 HydrophobicContact CG2-CD1 3.44Å; V479-L623 VanDerWaalsContact CG2-CD1 3.44Å
480	N	33.2	Very low	51.2	Low	94 Å²	94	88.4 Å²	88.4	50%	0.503	45%	0.448	S	S	.	.			trans	-72.7	94	169.5	-169.9	-6.1	0	0	0	107	L478 E482 Q483	L478-N480 PolarHBondContact O-N 3.08Å; N480-E482 PolarHBondContact O-N 3.42Å; N480-Q483 PolarHBondContact O-N 3.44Å
481	F	37.3	Very low	51.5	Low	102 Å²	102	88.5 Å²	88.5	45%	0.447	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-14.7	-174.3	-69.4	-79.5	0	0	0	114.1	V479 L623 H624	V479-F481 VanDerWaalsContact C-N 3.3Å; V479-F481 HydrophobicContact CB-CZ 4.42Å; V479-F481 HydrophobicContact CG1-CD1 4.18Å; V479-F481 HydrophobicContact CG1-CE1 4.24Å; V479-F481 HydrophobicContact CG1-CG 4.49Å; V479-F481 VanDerWaalsContact O-CD2 3.23Å; V479-F481 WeakPolarHBondContact O-CD2 3.48Å; V479-F481 PolarHBondContact O-N 3.17Å; F481-L623 HydrophobicContact CZ-CB 4.46Å; F481-H624 AromaticContact CD1-NE2 3.67Å; F481-H624 AromaticContact CE1-CD2 3.69Å; F481-H624 AromaticContact CE1-NE2 3.57Å
482	E	38.1	Very low	52.2	Low	179 Å²	179	86.7 Å²	86.7	84%	0.836	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.4	-178.1	-65	-171.7	162.1	0	0	114.3	N480	N480-E482 PolarHBondContact O-N 3.42Å
483	Q	38.9	Very low	53.2	Low	164 Å²	164	86 Å²	86	77%	0.766	44%	0.438	S	S	*	.	S	Bend	trans	-132.5	7.7	-169.7	-72	-167.8	-13.5	0	0	117.7	N480	N480-Q483 PolarHBondContact O-N 3.44Å
484	Q	36.6	Very low	54.8	Low	120 Å²	120	80.9 Å²	80.9	56%	0.561	42%	0.415	S	S	*	.			trans	-111.6	112.9	177.3	-76.1	-161.4	-27.4	0	0	113.5
485	E	41.3	Very low	56.6	Low	170 Å²	170	74.6 Å²	74.6	79%	0.794	39%	0.385	S	S	*	.			trans	-46.2	135.3	150.8	-68.3	179.7	159.4	0	0	108.4	N487	E485-N487 VanDerWaalsContact C-N 3.3Å; E485-N487 PolarHBondContact O-N 3.47Å
486	S	44.9	Very low	59	Low	89 Å²	89	71.6 Å²	71.6	62%	0.622	37%	0.365	S	S	*	.			trans	-59	86.3	-177.3	56.7	0	0	0	0	111.5	D488	S486-D488 VanDerWaalsContact C-N 3.28Å; S486-D488 PolarHBondContact O-N 3.11Å
487	N	54.5	Low	61.2	Low	112 Å²	112	66 Å²	66	60%	0.599	34%	0.335	S	S	*	.			trans	-83	80.6	173.6	-80.8	-21.2	0	0	0	108.7	E485 S489	E485-N487 VanDerWaalsContact C-N 3.3Å; E485-N487 PolarHBondContact O-N 3.47Å; N487-S489 PolarHBondContact O-N 2.81Å
488	D	64.3	Low	63.2	Low	61 Å²	61	65.1 Å²	65.1	33%	0.326	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-55.9	127.7	170.1	-78.3	-5	0	0	0	109.2	N437 S486 W617	N437-D488 PolarHBondContact ND2-O 2.95Å; S486-D488 VanDerWaalsContact C-N 3.28Å; S486-D488 PolarHBondContact O-N 3.11Å; D488-W617 WeakPolarHBondContact CA-O 3.46Å
489	S	73.8	Confident	65.4	Low	12 Å²	12	61.8 Å²	61.8	8%	0.084	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.6	177.8	-63.4	0	0	0	0	109	N487 T616 W617	N487-S489 PolarHBondContact O-N 2.81Å; S489-T616 VanDerWaalsContact O-CA 3.26Å; S489-T616 WeakPolarHBondContact O-CA 3.38Å; S489-T616 PolarHBondContact O-OG1 3.06Å; S489-W617 PolarHBondContact N-O 3.27Å; S489-W617 VanDerWaalsContact N-O 3.17Å; S489-W617 PolarHBondContact O-N 3.48Å
490	L	81.7	Confident	67.7	Low	13 Å²	13	61 Å²	61	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.8	178.7	-70.6	167	0	0	0	110.6	E435 L436 N437 F538 F558	E435-L490 CarbonylContact C-O 3.59Å; E435-L490 WeakPolarHBondContact CA-O 3.12Å; L436-L490 HydrophobicContact CB-CB 4.08Å; L436-L490 PolarHBondContact N-O 3.22Å; N437-L490 VanDerWaalsContact ND2-CD1 3.29Å; N437-L490 WeakPolarHBondContact ND2-CD1 3.24Å; N437-L490 VanDerWaalsContact ND2-CG 3.34Å; N437-L490 WeakPolarHBondContact ND2-CG 3.33Å; N437-L490 WeakPolarHBondContact OD1-CD1 3.37Å; L490-F538 HydrophobicContact CB-CE1 4.28Å; L490-F538 HydrophobicContact CD2-CD1 3.54Å; L490-F538 HydrophobicContact CD2-CE1 3.71Å; L490-F538 HydrophobicContact CD2-CG 4.13Å; L490-F538 HydrophobicContact CD2-CZ 4.43Å; L490-F558 HydrophobicContact CD2-CE1 3.95Å; L490-F558 HydrophobicContact CD2-CZ 4.37Å
491	M	86.9	Confident	70.3	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.8	178	-173.6	-168.1	63.6	0	0	110.9	C433 R434 I470 L493 G614 L615 W617	C433-M491 HydrophobicContact CB-SD 4.17Å; R434-M491 CarbonylContact O-C 3.47Å; R434-M491 WeakPolarHBondContact O-CA 3.41Å; I470-M491 HydrophobicContact CD1-CE 3.41Å; I470-M491 VanDerWaalsContact CD1-CE 3.41Å; I470-M491 HydrophobicContact CD1-SD 4Å; I470-M491 HydrophobicContact CG1-CE 4.23Å; I470-M491 HydrophobicContact CG1-SD 4.18Å; I470-M491 HydrophobicContact CG2-SD 4.34Å; M491-L493 HydrophobicContact CE-CD2 3.6Å; M491-L493 HydrophobicContact CE-CG 4.37Å; M491-G614 CarbonylContact O-C 3.52Å; M491-G614 WeakPolarHBondContact O-CA 3.5Å; M491-L615 HydrophobicContact CE-CB 4.19Å; M491-L615 HydrophobicContact CE-CD1 3.89Å; M491-L615 HydrophobicContact CE-CG 4.32Å; M491-L615 PolarHBondContact N-O 3.48Å; M491-L615 PolarHBondContact O-N 2.95Å; M491-W617 HydrophobicContact CB-CH2 3.86Å; M491-W617 HydrophobicContact CB-CZ3 3.82Å; M491-W617 HydrophobicContact CE-CZ3 4.4Å; M491-W617 HydrophobicContact SD-CH2 4.3Å
492	E	90.8	Very high	72.9	Confident	3 Å²	3	54 Å²	54	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.6	171.8	-176.5	-176.8	80.2	0	0	110.8	T432 C433 R434 L436 R612	T432-E492 PolarHBondContact OG1-O 3.41Å; T432-E492 PolarHBondContact OG1-OE1 2.73Å; T432-E492 VanDerWaalsContact OG1-OE1 3.05Å; C433-E492 WeakPolarHBondContact CA-O 3.07Å; C433-E492 PolarHBondContact N-O 2.77Å; R434-E492 HydrophobicContact CB-CB 4.22Å; R434-E492 IonicContact CZ-OE1 3.77Å; R434-E492 IonicContact CZ-OE2 2.71Å; R434-E492 PolarHBondContact N-O 2.86Å; R434-E492 IonicContact NE-OE1 3.22Å; R434-E492 PolarHBondContact NE-OE1 2.93Å; R434-E492 IonicContact NE-OE2 2.82Å; R434-E492 IonicContact NH2-OE1 2.83Å; R434-E492 PolarHBondContact NH2-OE1 2.66Å; R434-E492 IonicContact NH2-OE2 2.58Å; R434-E492 PolarHBondContact NH2-OE2 2.9Å; R434-E492 PolarHBondContact O-N 2.8Å; L436-E492 HydrophobicContact CD1-CB 4.28Å; L436-E492 HydrophobicContact CD2-CB 4.06Å; L436-E492 HydrophobicContact CG-CB 4.18Å; E492-R612 HydrophobicContact CG-CB 4.38Å; E492-R612 IonicContact OE2-CZ 2.66Å; E492-R612 IonicContact OE2-NE 2.65Å; E492-R612 PolarHBondContact OE2-NE 2.68Å; E492-R612 IonicContact OE2-NH1 2.71Å
493	L	92.1	Very high	75.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-51.3	170.3	-68.8	176.6	0	0	0	110.3	P431 T432 M491 I613 L615 L637 I640	P431-L493 CarbonylContact C-O 3.53Å; P431-L493 WeakPolarHBondContact CA-O 3.35Å; P431-L493 HydrophobicContact CB-CB 4.18Å; P431-L493 HydrophobicContact CB-CD2 3.83Å; P431-L493 WeakPolarHBondContact CB-O 2.99Å; P431-L493 HydrophobicContact CG-CD2 4.27Å; T432-L493 PolarHBondContact N-O 2.81Å; M491-L493 HydrophobicContact CE-CD2 3.6Å; M491-L493 HydrophobicContact CE-CG 4.37Å; L493-I613 HydrophobicContact CB-CG1 4.47Å; L493-I613 PolarHBondContact N-O 3.32Å; L493-L615 HydrophobicContact CD1-CD1 4.08Å; L493-L615 HydrophobicContact CD1-CD2 4.2Å; L493-L615 HydrophobicContact CD1-CG 3.75Å; L493-L615 HydrophobicContact CD2-CD1 4.35Å; L493-L615 HydrophobicContact CG-CD1 4.49Å; L493-L615 HydrophobicContact CG-CG 4.2Å; L493-L637 HydrophobicContact CD2-CD1 4Å; L493-I640 HydrophobicContact CD1-CD1 4.15Å
494	F	93.4	Very high	77.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	137.6	-178.3	-62.5	-77.7	0	0	0	111.4	T371 L372 F394 T396 I429 P431 F496 R612 I613 I640	T371-F494 HydrophobicContact CG2-CD1 3.83Å; T371-F494 HydrophobicContact CG2-CE1 4.25Å; L372-F494 HydrophobicContact CD1-CB 3.9Å; L372-F494 HydrophobicContact CD1-CD1 3.99Å; L372-F494 HydrophobicContact CD1-CG 3.95Å; L372-F494 HydrophobicContact CG-CB 4.44Å; L372-F494 HydrophobicContact CG-CD1 4.07Å; L372-F494 HydrophobicContact CG-CG 4.47Å; F394-F494 HydrophobicContact CE1-CD2 4.08Å; F394-F494 HydrophobicContact CE1-CE1 4.27Å; F394-F494 AromaticContact CE1-CE2 3.71Å; F394-F494 HydrophobicContact CE1-CE2 3.71Å; F394-F494 HydrophobicContact CE1-CG 4.5Å; F394-F494 AromaticContact CE1-CZ 3.83Å; F394-F494 HydrophobicContact CE1-CZ 3.83Å; F394-F494 HydrophobicContact CZ-CD1 4.3Å; F394-F494 HydrophobicContact CZ-CD2 4.5Å; F394-F494 AromaticContact CZ-CE1 3.74Å; F394-F494 HydrophobicContact CZ-CE1 3.74Å; F394-F494 AromaticContact CZ-CE2 3.93Å; F394-F494 HydrophobicContact CZ-CE2 3.93Å; F394-F494 AromaticContact CZ-CZ 3.54Å; F394-F494 HydrophobicContact CZ-CZ 3.54Å; T396-F494 HydrophobicContact CG2-CE2 4.35Å; T396-F494 HydrophobicContact CG2-CZ 3.78Å; I429-F494 HydrophobicContact CG2-CD1 4.42Å; I429-F494 HydrophobicContact CG2-CE1 3.87Å; P431-F494 HydrophobicContact CB-CE1 4.37Å; P431-F494 HydrophobicContact CB-CE2 4.35Å; P431-F494 HydrophobicContact CB-CZ 4.03Å; P431-F494 HydrophobicContact CG-CE1 4.27Å; P431-F494 HydrophobicContact CG-CE2 4.01Å; P431-F494 HydrophobicContact CG-CZ 3.57Å; F494-F496 HydrophobicContact CB-CE2 4.27Å; F494-F496 HydrophobicContact CB-CZ 4.36Å; F494-R612 CarbonylContact O-C 3.56Å; F494-R612 WeakPolarHBondContact O-CA 3.33Å; F494-R612 VanDerWaalsContact O-CB 3.29Å; F494-R612 WeakPolarHBondContact O-CB 3.43Å; F494-I613 HydrophobicContact CB-CG1 4.02Å; F494-I613 HydrophobicContact CD2-CD1 3.87Å; F494-I613 HydrophobicContact CD2-CG1 4.06Å; F494-I613 PolarHBondContact N-O 2.7Å; F494-I613 VanDerWaalsContact N-O 3.16Å; F494-I613 PolarHBondContact O-N 2.86Å; F494-I640 HydrophobicContact CE2-CB 4.31Å; F494-I640 HydrophobicContact CE2-CD1 3.7Å; F494-I640 HydrophobicContact CE2-CG2 3.92Å; F494-I640 HydrophobicContact CZ-CD1 4.21Å
495	L	92.2	Very high	80.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.4	166.9	-175	72.6	0	0	0	108.7	L44 H368 P370 T371 L372 H611 R612	L44-L495 HydrophobicContact CB-CD2 4.26Å; L44-L495 HydrophobicContact CD1-CD1 4.11Å; L44-L495 HydrophobicContact CD1-CD2 4.16Å; L44-L495 HydrophobicContact CD1-CG 3.96Å; H368-L495 HydrophobicContact CB-CD2 3.42Å; H368-L495 VanDerWaalsContact CB-CD2 3.42Å; P370-L495 CarbonylContact C-O 3.47Å; T371-L495 PolarHBondContact N-O 2.86Å; T371-L495 PolarHBondContact OG1-N 2.8Å; L372-L495 PolarHBondContact N-O 2.87Å; L495-H611 WeakPolarHBondContact CD1-O 3.45Å; L495-R612 HydrophobicContact CD1-CB 4.15Å
496	F	90.9	Very high	82.5	Confident	1 Å²	1	30.9 Å²	30.9	0%	0.004	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-97.6	147.1	-176.5	-64.3	-93	0	0	0	111.4	L44 L372 L375 F494 L610 H611 I613 L642	L44-F496 WeakPolarHBondContact CD1-O 3.4Å; L372-F496 HydrophobicContact CB-CD1 4.06Å; L372-F496 HydrophobicContact CB-CE1 4.46Å; L372-F496 HydrophobicContact CD1-CD1 3.83Å; L372-F496 HydrophobicContact CD1-CE1 3.37Å; L372-F496 HydrophobicContact CD1-CZ 3.91Å; L372-F496 CarbonylContact O-C 3.58Å; L375-F496 HydrophobicContact CD1-CD1 3.97Å; L375-F496 HydrophobicContact CD1-CE1 3.95Å; L375-F496 HydrophobicContact CD2-CD1 4.48Å; L375-F496 HydrophobicContact CD2-CE1 4.28Å; L375-F496 HydrophobicContact CG-CD1 4.19Å; L375-F496 HydrophobicContact CG-CE1 4.36Å; F494-F496 HydrophobicContact CB-CE2 4.27Å; F494-F496 HydrophobicContact CB-CZ 4.36Å; F496-L610 HydrophobicContact CB-CB 4.23Å; F496-L610 HydrophobicContact CD1-CB 4.38Å; F496-L610 HydrophobicContact CD1-CD1 4.22Å; F496-L610 HydrophobicContact CD2-CB 3.89Å; F496-L610 HydrophobicContact CD2-CD1 4.5Å; F496-L610 HydrophobicContact CE1-CD1 3.95Å; F496-L610 HydrophobicContact CE2-CB 4.36Å; F496-L610 HydrophobicContact CE2-CD1 4.28Å; F496-L610 HydrophobicContact CG-CB 3.91Å; F496-L610 HydrophobicContact CG-CD1 4.48Å; F496-L610 HydrophobicContact CZ-CD1 3.99Å; F496-H611 PolarHBondContact N-O 2.87Å; F496-I613 HydrophobicContact CE2-CB 4.28Å; F496-I613 HydrophobicContact CE2-CG1 3.86Å; F496-I613 HydrophobicContact CE2-CG2 3.88Å; F496-I613 HydrophobicContact CZ-CD1 4.33Å; F496-I613 HydrophobicContact CZ-CG1 4.09Å; F496-I613 HydrophobicContact CZ-CG2 4.31Å; F496-L642 HydrophobicContact CE1-CD2 4.42Å
497	G	86.4	Confident	84.7	Confident	3 Å²	3	29.2 Å²	29.2	3%	0.031	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-67.4	151.1	169.1	0	0	0	0	0	110.9	L372 N499 S500	L372-G497 PolarHBondContact O-N 2.97Å; G497-N499 PolarHBondContact O-N 3.28Å; G497-S500 VanDerWaalsContact O-CB 3.24Å; G497-S500 WeakPolarHBondContact O-CB 3.29Å; G497-S500 PolarHBondContact O-N 3.4Å; G497-S500 PolarHBondContact O-OG 2.87Å
498	H	78.8	Confident	86.5	Confident	55 Å²	55	24.2 Å²	24.2	26%	0.255	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.3	-172	68.8	-78.6	0	0	0	116.3	D42 I50	D42-H498 IonicContact OD2-CE1 2.61Å; D42-H498 PolarHBondContact OD2-CE1 2.99Å; D42-H498 IonicContact OD2-ND1 2.96Å; D42-H498 PolarHBondContact OD2-ND1 2.88Å; D42-H498 IonicContact OD2-NE2 3.34Å; I50-H498 HydrophobicContact CD1-CB 3.41Å; I50-H498 VanDerWaalsContact CD1-CB 3.41Å; I50-H498 HydrophobicContact CG1-CB 4.11Å
499	N	79.2	Confident	87.7	Confident	99 Å²	99	23.5 Å²	23.5	53%	0.529	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	16.5	177.7	-64.8	-31.8	0	0	0	113.1	G497 F501	G497-N499 PolarHBondContact O-N 3.28Å; N499-F501 WeakPolarHBondContact O-CD1 3.45Å; N499-F501 WeakPolarHBondContact O-CE1 3.14Å
500	S	87.2	Confident	88.4	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.			trans	-87.1	113.5	176.6	-52.7	0	0	0	0	109	G497 L610	G497-S500 VanDerWaalsContact O-CB 3.24Å; G497-S500 WeakPolarHBondContact O-CB 3.29Å; G497-S500 PolarHBondContact O-N 3.4Å; G497-S500 PolarHBondContact O-OG 2.87Å; S500-L610 PolarHBondContact O-N 3.46Å
501	F	87.6	Confident	88.5	Confident	49 Å²	49	22.5 Å²	22.5	22%	0.215	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.7	-178.4	56.3	-91.1	0	0	0	111.9	N499 C607 I608 Y609 W647 Y652	N499-F501 WeakPolarHBondContact O-CD1 3.45Å; N499-F501 WeakPolarHBondContact O-CE1 3.14Å; F501-C607 HydrophobicContact CB-CB 4.46Å; F501-I608 CarbonylContact C-O 3.35Å; F501-I608 WeakPolarHBondContact CA-O 3.38Å; F501-Y609 HydrophobicContact CB-CD1 4.01Å; F501-Y609 HydrophobicContact CB-CE1 4.14Å; F501-Y609 HydrophobicContact CB-CG 4.38Å; F501-Y609 HydrophobicContact CD1-CE1 4.24Å; F501-W647 AromaticContact CD2-CE3 4Å; F501-W647 HydrophobicContact CD2-CE3 4Å; F501-W647 HydrophobicContact CD2-CH2 4.07Å; F501-W647 AromaticContact CD2-CZ3 3.46Å; F501-W647 HydrophobicContact CD2-CZ3 3.46Å; F501-W647 VanDerWaalsContact CD2-CZ3 3.46Å; F501-W647 HydrophobicContact CE2-CE3 4.19Å; F501-W647 HydrophobicContact CE2-CZ3 4.01Å; F501-Y652 HydrophobicContact CD2-CE2 4.41Å; F501-Y652 HydrophobicContact CE1-CE1 4.37Å; F501-Y652 HydrophobicContact CE2-CE1 4.3Å; F501-Y652 HydrophobicContact CE2-CE2 4.15Å; F501-Y652 AromaticContact CE2-CZ 3.94Å; F501-Y652 AromaticContact CZ-CE1 3.98Å; F501-Y652 HydrophobicContact CZ-CE1 3.98Å; F501-Y652 PolarHBondContact N-OH 2.88Å; F501-Y652 WeakPolarHBondContact O-CE2 3.26Å; F501-Y652 PolarHBondContact O-OH 2.78Å
502	I	90.7	Very high	88.3	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	159.6	179.1	63.5	175.4	0	0	0	110.4	L375 L393 A506 V581 L584 I608 L610 L642 W647	L375-I502 HydrophobicContact CD1-CG2 4.49Å; L393-I502 HydrophobicContact CD1-CG2 3.99Å; I502-A506 HydrophobicContact CB-CB 3.73Å; I502-A506 HydrophobicContact CD1-CB 3.85Å; I502-A506 HydrophobicContact CG1-CB 4.15Å; I502-A506 HydrophobicContact CG2-CB 4.34Å; I502-V581 HydrophobicContact CD1-CB 4.37Å; I502-V581 HydrophobicContact CD1-CG1 3.97Å; I502-V581 HydrophobicContact CD1-CG2 4.2Å; I502-L584 HydrophobicContact CD1-CD1 4.44Å; I502-I608 HydrophobicContact CG1-CB 3.91Å; I502-I608 HydrophobicContact CG1-CD1 4.48Å; I502-I608 HydrophobicContact CG1-CG2 4.33Å; I502-I608 PolarHBondContact N-O 2.97Å; I502-I608 WeakPolarHBondContact O-CB 3.32Å; I502-I608 PolarHBondContact O-N 3.26Å; I502-L610 HydrophobicContact CD1-CD1 4.15Å; I502-L610 HydrophobicContact CD1-CD2 3.74Å; I502-L610 HydrophobicContact CD1-CG 4.15Å; I502-L610 HydrophobicContact CG1-CD1 4.4Å; I502-L610 HydrophobicContact CG1-CD2 4.21Å; I502-L610 HydrophobicContact CG1-CG 4.22Å; I502-L610 HydrophobicContact CG2-CD1 3.75Å; I502-L610 HydrophobicContact CG2-CG 4.34Å; I502-L642 HydrophobicContact CG2-CD1 4.2Å; I502-L642 HydrophobicContact CG2-CD2 3.99Å; I502-W647 WeakPolarHBondContact O-CZ3 3.36Å
503	S	89.5	Confident	87.7	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.			trans	-82.7	171.8	175.4	79.1	0	0	0	0	111.7	K505 A506 V581 D644 Q646	S503-K505 PolarHBondContact O-N 3.11Å; S503-K505 PolarHBondContact OG-N 3.37Å; S503-A506 PolarHBondContact O-N 3.49Å; S503-A506 PolarHBondContact OG-N 3.18Å; S503-V581 WeakPolarHBondContact O-CG2 3.34Å; S503-D644 WeakPolarHBondContact CB-OD1 3.44Å; S503-D644 WeakPolarHBondContact CB-OD2 3.46Å; S503-D644 PolarHBondContact N-OD2 2.73Å; S503-D644 PolarHBondContact OG-OD1 3.07Å; S503-D644 PolarHBondContact OG-OD2 3.2Å; S503-Q646 WeakPolarHBondContact OG-CB 3.38Å; S503-Q646 PolarHBondContact OG-OE1 2.98Å
504	D	86.5	Confident	86.8	Confident	42 Å²	42	24.1 Å²	24.1	23%	0.225	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.2	171.4	77.3	-42.8	0	0	0	113.8	I585 Q646	D504-I585 HydrophobicContact CB-CD1 3.12Å; D504-Q646 PolarHBondContact OD1-OE1 2.82Å
505	K	89.1	Confident	85.8	Confident	105 Å²	105	26.1 Å²	26.1	46%	0.457	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-2.6	177.4	-55.4	-50.9	177.7	-140.4	0	113.5	S503 P645 Q646	S503-K505 PolarHBondContact O-N 3.11Å; S503-K505 PolarHBondContact OG-N 3.37Å; K505-P645 WeakPolarHBondContact O-CD 3.12Å; K505-Q646 HydrophobicContact CB-CB 4.17Å; K505-Q646 HydrophobicContact CG-CB 4.24Å
506	A	91.9	Very high	84.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.			trans	-66.3	154.7	179.5	0	0	0	0	0	112.5	I502 S503 V581 L642 R643 D644	I502-A506 HydrophobicContact CB-CB 3.73Å; I502-A506 HydrophobicContact CD1-CB 3.85Å; I502-A506 HydrophobicContact CG1-CB 4.15Å; I502-A506 HydrophobicContact CG2-CB 4.34Å; S503-A506 PolarHBondContact O-N 3.49Å; S503-A506 PolarHBondContact OG-N 3.18Å; A506-V581 HydrophobicContact CB-CG2 3.97Å; A506-V581 WeakPolarHBondContact O-CG1 3.28Å; A506-V581 WeakPolarHBondContact O-CG2 3.21Å; A506-V581 PolarHBondContact O-N 2.98Å; A506-L642 HydrophobicContact CB-CD1 4.29Å; A506-R643 CarbonylContact C-O 3.5Å; A506-R643 WeakPolarHBondContact CA-O 3.43Å; A506-R643 VanDerWaalsContact CB-O 3.25Å; A506-R643 WeakPolarHBondContact CB-O 3.42Å; A506-D644 HydrophobicContact CB-CB 4.12Å
507	Q	91.9	Very high	83.3	Confident	54 Å²	54	33.4 Å²	33.4	25%	0.252	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	136.1	-175.1	-64.7	-179.1	-26.9	0	0	109.8	Y579 N580 R643	Q507-Y579 WeakPolarHBondContact CA-O 3.13Å; Q507-N580 WeakPolarHBondContact CG-OD1 3.13Å; Q507-N580 PolarHBondContact NE2-OD1 2.7Å; Q507-R643 PolarHBondContact N-O 3.17Å; Q507-R643 PolarHBondContact O-N 2.65Å
508	F	92	Very high	81.8	Confident	7 Å²	7	38.8 Å²	38.8	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.7	165.4	-66.6	-81.9	0	0	0	110	L537 V539 L559 Y579 V581 L610 I613 E641 L642	F508-L537 HydrophobicContact CB-CD2 3.56Å; F508-L537 HydrophobicContact CD2-CD2 3.77Å; F508-L537 HydrophobicContact CG-CD2 3.71Å; F508-V539 HydrophobicContact CD2-CG2 4.4Å; F508-V539 HydrophobicContact CE2-CG2 3.96Å; F508-L559 HydrophobicContact CD2-CD1 4.4Å; F508-Y579 HydrophobicContact CB-CD2 4.38Å; F508-Y579 PolarHBondContact N-O 2.94Å; F508-Y579 PolarHBondContact O-N 3.2Å; F508-V581 HydrophobicContact CD2-CG1 3.83Å; F508-V581 HydrophobicContact CE2-CG1 3.77Å; F508-L610 HydrophobicContact CZ-CD1 4.33Å; F508-I613 HydrophobicContact CD1-CD1 4.13Å; F508-I613 HydrophobicContact CE1-CD1 3.83Å; F508-I613 HydrophobicContact CE1-CG2 3.82Å; F508-I613 HydrophobicContact CE2-CG2 4.22Å; F508-I613 HydrophobicContact CZ-CG2 3.57Å; F508-E641 CarbonylContact C-O 3.46Å; F508-E641 VanDerWaalsContact CA-O 3.29Å; F508-E641 WeakPolarHBondContact CA-O 3.05Å; F508-L642 HydrophobicContact CD1-CB 4.04Å; F508-L642 HydrophobicContact CD1-CD1 3.98Å; F508-L642 HydrophobicContact CE1-CB 3.9Å; F508-L642 HydrophobicContact CE1-CD1 3.62Å; F508-L642 HydrophobicContact CE1-CD2 4.06Å; F508-L642 HydrophobicContact CE1-CG 4.05Å; F508-L642 HydrophobicContact CE2-CD1 4.26Å; F508-L642 HydrophobicContact CG-CD1 4.45Å; F508-L642 HydrophobicContact CZ-CD1 3.77Å; F508-L642 HydrophobicContact CZ-CD2 4.36Å
509	K	89.3	Confident	80.6	Confident	47 Å²	47	43.9 Å²	43.9	20%	0.204	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.8	173.9	-178.2	-174.4	-176.7	-175.6	0	109.5	V576 L577 L639 I640 E641	K509-V576 HydrophobicContact CD-CG1 4.24Å; K509-V576 HydrophobicContact CG-CG1 3.9Å; K509-L577 CarbonylContact C-O 3.44Å; K509-L577 WeakPolarHBondContact CA-O 3.44Å; K509-L639 HydrophobicContact CD-CD2 3.9Å; K509-L639 HydrophobicContact CG-CD2 4.19Å; K509-I640 WeakPolarHBondContact O-CA 3.3Å; K509-E641 HydrophobicContact CB-CB 4.2Å; K509-E641 WeakPolarHBondContact CD-OE1 3.25Å; K509-E641 PolarHBondContact N-O 2.66Å; K509-E641 PolarHBondContact O-N 2.65Å
510	L	88.1	Confident	78.9	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.7	-179.4	-173.8	68.4	0	0	0	109.7	L535 V576 L577 Y579 L615 L637 L639 I640	L510-L535 HydrophobicContact CD2-CD2 4.31Å; L510-V576 WeakPolarHBondContact O-CA 3.46Å; L510-L577 HydrophobicContact CB-CB 4.41Å; L510-L577 PolarHBondContact N-O 2.85Å; L510-L577 PolarHBondContact O-N 3.24Å; L510-Y579 HydrophobicContact CB-CE2 4.15Å; L510-L615 HydrophobicContact CD2-CD2 3.8Å; L510-L637 HydrophobicContact CD1-CD1 4.37Å; L510-L637 HydrophobicContact CD1-CD2 3.79Å; L510-L637 HydrophobicContact CD1-CG 4.49Å; L510-L637 HydrophobicContact CD2-CD2 4.08Å; L510-L637 HydrophobicContact CG-CD2 4.09Å; L510-L639 CarbonylContact C-O 3.55Å; L510-L639 VanDerWaalsContact CA-O 3.3Å; L510-L639 WeakPolarHBondContact CA-O 3.4Å; L510-L639 WeakPolarHBondContact CD1-O 3.41Å; L510-I640 HydrophobicContact CD1-CG1 3.64Å
511	A	85	Confident	76.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.9	165.8	0	0	0	0	0	109.5	Y460 W574 S575 L637 G638 L639	Y460-A511 HydrophobicContact CD1-CB 4.4Å; Y460-A511 HydrophobicContact CD2-CB 3.5Å; Y460-A511 VanDerWaalsContact CD2-CB 3.5Å; Y460-A511 HydrophobicContact CE1-CB 4.44Å; Y460-A511 HydrophobicContact CE2-CB 3.52Å; Y460-A511 HydrophobicContact CG-CB 3.97Å; A511-W574 HydrophobicContact CB-CE3 3.94Å; A511-W574 HydrophobicContact CB-CZ3 4.35Å; A511-W574 WeakPolarHBondContact O-CZ3 3.4Å; A511-S575 WeakPolarHBondContact CA-O 3.46Å; A511-L637 WeakPolarHBondContact O-CA 3.06Å; A511-G638 PolarHBondContact O-N 2.96Å; A511-L639 HydrophobicContact CB-CB 3.59Å; A511-L639 PolarHBondContact N-O 3.13Å
512	I	82.1	Confident	74.8	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.5	-177.6	-175.2	167.3	0	0	0	111.9	L535 W574 S575 L577 F635 L636 L637	I512-L535 HydrophobicContact CD1-CD2 3.2Å; I512-W574 VanDerWaalsContact C-CE3 3.5Å; I512-W574 CarbonylContact O-C 3.59Å; I512-W574 WeakPolarHBondContact O-CA 3.45Å; I512-S575 PolarHBondContact N-O 3.31Å; I512-S575 PolarHBondContact O-N 2.98Å; I512-L577 HydrophobicContact CG2-CD1 3.79Å; I512-L577 HydrophobicContact CG2-CG 4.17Å; I512-F635 HydrophobicContact CD1-CB 3.87Å; I512-F635 HydrophobicContact CD1-CD2 3.51Å; I512-F635 HydrophobicContact CD1-CE2 4.16Å; I512-F635 HydrophobicContact CD1-CG 3.81Å; I512-F635 HydrophobicContact CG1-CB 4Å; I512-F635 HydrophobicContact CG1-CD2 4.12Å; I512-F635 HydrophobicContact CG1-CG 4.39Å; I512-L636 CarbonylContact C-O 3.58Å; I512-L636 VanDerWaalsContact CA-O 3.25Å; I512-L636 WeakPolarHBondContact CA-O 3.49Å; I512-L636 WeakPolarHBondContact CG1-O 3.39Å; I512-L637 HydrophobicContact CB-CD2 3.93Å; I512-L637 HydrophobicContact CD1-CD2 3.87Å; I512-L637 HydrophobicContact CG1-CD2 3.87Å
513	T	77.7	Confident	72.7	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.7	170.3	-178	0	0	0	0	111.6	I572 P573 W574 F635 L636	T513-I572 HydrophobicContact CG2-CG2 3.69Å; T513-I572 WeakPolarHBondContact OG1-CG2 3.16Å; T513-P573 WeakPolarHBondContact CB-O 3.48Å; T513-P573 PolarHBondContact OG1-O 2.92Å; T513-W574 HydrophobicContact CG2-CD2 3.99Å; T513-W574 HydrophobicContact CG2-CE3 3.88Å; T513-W574 HydrophobicContact CG2-CH2 3.73Å; T513-W574 HydrophobicContact CG2-CZ2 3.85Å; T513-W574 HydrophobicContact CG2-CZ3 3.73Å; T513-F635 CarbonylContact O-C 3.54Å; T513-F635 VanDerWaalsContact O-CA 3.28Å; T513-F635 WeakPolarHBondContact O-CA 3.42Å; T513-F635 WeakPolarHBondContact O-CB 3.44Å; T513-L636 HydrophobicContact CG2-CB 3.62Å; T513-L636 HydrophobicContact CG2-CD1 3.85Å; T513-L636 HydrophobicContact CG2-CG 3.93Å; T513-L636 PolarHBondContact N-O 3.14Å; T513-L636 PolarHBondContact O-N 2.85Å
514	P	72.6	Confident	70.5	Confident	36 Å²	36	61.8 Å²	61.8	23%	0.234	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.4	140.1	164.1	-35.7	41.7	0	0	0	114.9	L529 F632	P514-L529 HydrophobicContact CG-CD1 4.2Å; P514-F632 VanDerWaalsContact CA-CE2 3.41Å; P514-F632 HydrophobicContact CB-CD2 4.01Å; P514-F632 HydrophobicContact CB-CE2 3.4Å; P514-F632 HydrophobicContact CB-CZ 4.4Å; P514-F632 HydrophobicContact CG-CE2 3.93Å
515	Y	73.6	Confident	68.6	Low	41 Å²	41	63.4 Å²	63.4	16%	0.161	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.8	172.5	179	-104.6	0	0	0	111.8	C469 R471 L517 N633 G634 L636	C469-Y515 VanDerWaalsContact SG-CD1 3.59Å; R471-Y515 HydrophobicContact CG-CD1 4.31Å; R471-Y515 HydrophobicContact CG-CE1 4.11Å; Y515-L517 HydrophobicContact CE1-CG 4.4Å; Y515-N633 HydrophobicContact CD1-CB 4.45Å; Y515-N633 PolarHBondContact O-N 3.16Å; Y515-G634 WeakPolarHBondContact CA-O 3.26Å; Y515-G634 WeakPolarHBondContact CB-O 3.18Å; Y515-G634 PolarHBondContact N-O 2.89Å; Y515-G634 PolarHBondContact O-N 2.83Å; Y515-L636 HydrophobicContact CD2-CD1 4.32Å; Y515-L636 HydrophobicContact CD2-CD2 3.66Å; Y515-L636 HydrophobicContact CD2-CG 4.13Å; Y515-L636 HydrophobicContact CE2-CD2 4.41Å; Y515-L636 HydrophobicContact CG-CD2 3.97Å; Y515-L636 HydrophobicContact CG-CG 4.46Å
516	T	66.9	Low	66.4	Low	57 Å²	57	67.3 Å²	67.3	35%	0.35	36%	0.359	S	S	.	.			trans	-125.1	144.4	175.4	64.4	0	0	0	0	110.1	N518	T516-N518 VanDerWaalsContact C-N 3.33Å
517	L	63.7	Low	64.2	Low	98 Å²	98	72.5 Å²	72.5	51%	0.513	38%	0.383	S	S	.	.	S	Bend	trans	-75.7	-24	178.7	-82.3	157.2	0	0	0	112	Y515 K519 N633	Y515-L517 HydrophobicContact CE1-CG 4.4Å; L517-K519 PolarHBondContact O-N 2.83Å; L517-N633 WeakPolarHBondContact CB-ND2 3.38Å; L517-N633 HydrophobicContact CD1-CB 4.24Å; L517-N633 VanDerWaalsContact CD1-ND2 3.26Å; L517-N633 WeakPolarHBondContact CD1-ND2 3.48Å; L517-N633 HydrophobicContact CG-CB 4.37Å; L517-N633 VanDerWaalsContact CG-ND2 3.3Å; L517-N633 WeakPolarHBondContact CG-ND2 3.43Å; L517-N633 PolarHBondContact N-ND2 3.22Å
518	N	55.1	Low	62	Low	117 Å²	117	79 Å²	79	63%	0.626	41%	0.405	S	S	*	.			trans	-95.1	97.7	-178.1	-70.6	-8.5	0	0	0	110	T516 E520	T516-N518 VanDerWaalsContact C-N 3.33Å; N518-E520 PolarHBondContact O-N 2.99Å
519	K	52.9	Low	59.8	Low	161 Å²	161	80 Å²	80	70%	0.7	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.6	173.1	-70.6	-170.8	172.3	-167.4	0	114.1	E457 L517 I521	E457-K519 WeakPolarHBondContact OE1-CE 3.06Å; E457-K519 IonicContact OE1-NZ 3.9Å; E457-K519 PolarHBondContact OE1-NZ 2.91Å; L517-K519 PolarHBondContact O-N 2.83Å; K519-I521 PolarHBondContact O-N 3.14Å; K519-I521 VanDerWaalsContact O-N 3.17Å
520	E	44.5	Very low	57.4	Low	188 Å²	188	84.8 Å²	84.8	88%	0.879	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	4.5	-171.4	-73.9	-168.5	160.4	0	0	115.4	N518	N518-E520 PolarHBondContact O-N 2.99Å
521	I	42.6	Very low	55.5	Low	89 Å²	89	87.4 Å²	87.4	46%	0.456	45%	0.451	S	S	.	.			trans	-120.1	92.1	177.4	-48.4	170.9	0	0	0	108.9	K519 L523 M630	K519-I521 PolarHBondContact O-N 3.14Å; K519-I521 VanDerWaalsContact O-N 3.17Å; I521-L523 VanDerWaalsContact C-N 3.32Å; I521-L523 PolarHBondContact O-N 3.22Å; I521-M630 HydrophobicContact CB-CE 3.77Å; I521-M630 HydrophobicContact CD1-CE 3.75Å; I521-M630 HydrophobicContact CG1-CE 4.35Å; I521-M630 HydrophobicContact CG2-CE 3.37Å
522	S	44.7	Very low	53.8	Low	112 Å²	112	94.7 Å²	94.7	78%	0.783	49%	0.485	S	S	*	.			trans	-60.3	100.8	156.1	54.3	0	0	0	0	107.3
523	L	46.5	Very low	52.6	Low	63 Å²	63	97 Å²	97	33%	0.33	50%	0.497	S	S	.	.			trans	-58.1	127.9	169.4	-78.9	161.1	0	0	0	107.8	I521 A525 Q527 M630	I521-L523 VanDerWaalsContact C-N 3.32Å; I521-L523 PolarHBondContact O-N 3.22Å; L523-A525 PolarHBondContact O-N 2.91Å; L523-Q527 HydrophobicContact CD2-CB 4.39Å; L523-Q527 VanDerWaalsContact CD2-OE1 3.29Å; L523-M630 HydrophobicContact CD1-CE 4.42Å; L523-M630 HydrophobicContact CD2-CE 3.49Å; L523-M630 VanDerWaalsContact CD2-CE 3.49Å; L523-M630 HydrophobicContact CD2-SD 4.15Å; L523-M630 HydrophobicContact CG-CE 3.89Å
524	P	44.7	Very low	51.8	Low	72 Å²	72	97.6 Å²	97.6	47%	0.468	50%	0.503	S	S	.	.			trans	-54.3	135.9	168.1	-20.2	30.9	0	0	0	108.6	E526 Q527	P524-E526 PolarHBondContact O-N 3.2Å; P524-Q527 PolarHBondContact O-N 3.21Å
525	A	46.9	Very low	51.7	Low	77 Å²	77	96.4 Å²	96.4	64%	0.636	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-14.8	-178.6	0	0	0	0	0	114.1	L523	L523-A525 PolarHBondContact O-N 2.91Å
526	E	42.7	Very low	52	Low	187 Å²	187	99.2 Å²	99.2	87%	0.874	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.7	179.7	-63.5	172.4	-175	0	0	113.5	P524 R528	P524-E526 PolarHBondContact O-N 3.2Å; E526-R528 PolarHBondContact O-N 3.04Å; E526-R528 VanDerWaalsContact O-N 3.13Å
527	Q	45.5	Very low	53.1	Low	109 Å²	109	96.7 Å²	96.7	51%	0.509	49%	0.492	S	S	.	.			trans	-86.8	54.4	169.6	-72.1	-175.3	-15	0	0	110.6	L523 P524 L529	L523-Q527 HydrophobicContact CD2-CB 4.39Å; L523-Q527 VanDerWaalsContact CD2-OE1 3.29Å; P524-Q527 PolarHBondContact O-N 3.21Å; Q527-L529 PolarHBondContact O-N 2.58Å
528	R	45.9	Very low	54.4	Low	190 Å²	190	92 Å²	92	72%	0.717	47%	0.468	S	S	*	.			trans	-53	118.1	168.2	-75.2	-178.1	177.9	168.9	-1.8	107.1	E526 D530	E526-R528 PolarHBondContact O-N 3.04Å; E526-R528 VanDerWaalsContact O-N 3.13Å; R528-D530 PolarHBondContact O-N 2.73Å
529	L	45	Very low	56.1	Low	28 Å²	28	86.5 Å²	86.5	15%	0.147	44%	0.438	C	S	.	.			trans	-64.3	82.6	171.1	-69.8	163.6	0	0	0	106.5	P514 Q527 H531 I566 Y626	P514-L529 HydrophobicContact CG-CD1 4.2Å; Q527-L529 PolarHBondContact O-N 2.58Å; L529-H531 HydrophobicContact CB-CB 4.48Å; L529-H531 VanDerWaalsContact CB-CD2 3.47Å; L529-H531 WeakPolarHBondContact CB-CD2 3.32Å; L529-H531 WeakPolarHBondContact CD2-CD2 3.2Å; L529-H531 WeakPolarHBondContact CD2-NE2 3.13Å; L529-H531 PolarHBondContact O-N 2.95Å; L529-I566 HydrophobicContact CB-CD1 4.28Å; L529-I566 WeakPolarHBondContact O-CD1 3.46Å; L529-Y626 HydrophobicContact CD2-CE2 3.98Å; L529-Y626 WeakPolarHBondContact CD2-OH 3.39Å
530	D	39.3	Very low	57.8	Low	148 Å²	148	78.8 Å²	78.8	79%	0.791	41%	0.405	S	S	*	.			trans	-67.8	76.7	167.4	-80	-14.9	0	0	0	106.7	R528	R528-D530 PolarHBondContact O-N 2.73Å
531	H	46.7	Very low	59.9	Low	59 Å²	59	70 Å²	70	27%	0.273	36%	0.363	S	S	.	.			trans	-130.2	119.6	-172.6	-65.7	-22.8	0	0	0	109.4	L529 I533 T625 Y626	L529-H531 HydrophobicContact CB-CB 4.48Å; L529-H531 VanDerWaalsContact CB-CD2 3.47Å; L529-H531 WeakPolarHBondContact CB-CD2 3.32Å; L529-H531 WeakPolarHBondContact CD2-CD2 3.2Å; L529-H531 WeakPolarHBondContact CD2-NE2 3.13Å; L529-H531 PolarHBondContact O-N 2.95Å; H531-I533 VanDerWaalsContact C-N 3.28Å; H531-I533 PolarHBondContact O-N 3.35Å; H531-T625 HydrophobicContact CB-CG2 4.42Å; H531-T625 WeakPolarHBondContact ND1-CG2 3.35Å; H531-Y626 AromaticContact NE2-CE2 3.43Å; H531-Y626 WeakPolarHBondContact NE2-CE2 3.44Å
532	E	51.3	Low	61.6	Low	152 Å²	152	67.3 Å²	67.3	71%	0.71	35%	0.349	S	S	*	.			trans	-63.2	92.7	163.8	-153.8	178.5	-169.9	0	0	106.1	G534	E532-G534 VanDerWaalsContact C-N 3.32Å; E532-G534 PolarHBondContact O-N 3.24Å
533	I	55.9	Low	62.6	Low	51 Å²	51	65.7 Å²	65.7	26%	0.262	33%	0.329	S	S	.	.			trans	-65.6	104.2	171.8	-57.2	178.3	0	0	0	103.8	H531 L535	H531-I533 VanDerWaalsContact C-N 3.28Å; H531-I533 PolarHBondContact O-N 3.35Å; I533-L535 HydrophobicContact CG2-CB 3.63Å; I533-L535 PolarHBondContact O-N 3.25Å
534	G	61.2	Low	63	Low	14 Å²	14	68.2 Å²	68.2	14%	0.144	35%	0.352	C	S	.	.			trans	-64.8	25.5	179.9	0	0	0	0	0	114.6	E532 W617	E532-G534 VanDerWaalsContact C-N 3.32Å; E532-G534 PolarHBondContact O-N 3.24Å; G534-W617 WeakPolarHBondContact O-CA 3.37Å
535	L	71	Confident	63	Low	11 Å²	11	69.4 Å²	69.4	6%	0.058	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.7	173.8	-171	81	0	0	0	109.5	L510 I512 I533 L615 T616 W617 F635	L510-L535 HydrophobicContact CD2-CD2 4.31Å; I512-L535 HydrophobicContact CD1-CD2 3.2Å; I533-L535 HydrophobicContact CG2-CB 3.63Å; I533-L535 PolarHBondContact O-N 3.25Å; L535-L615 HydrophobicContact CD1-CB 3.87Å; L535-L615 HydrophobicContact CD1-CD1 4.24Å; L535-L615 HydrophobicContact CD1-CD2 4.42Å; L535-L615 HydrophobicContact CD1-CG 4.39Å; L535-L615 HydrophobicContact CD2-CD1 4.18Å; L535-L615 HydrophobicContact CD2-CD2 4.06Å; L535-L615 HydrophobicContact CG-CB 4.5Å; L535-L615 HydrophobicContact CG-CD2 4.17Å; L535-T616 CarbonylContact C-O 3.59Å; L535-T616 VanDerWaalsContact CA-O 3.25Å; L535-T616 WeakPolarHBondContact CA-O 3.47Å; L535-W617 HydrophobicContact CD1-CB 4.09Å; L535-W617 HydrophobicContact CD1-CD2 4.27Å; L535-W617 HydrophobicContact CD1-CE3 3.66Å; L535-W617 HydrophobicContact CD1-CZ3 4.42Å; L535-F635 HydrophobicContact CD1-CE1 4.39Å; L535-F635 HydrophobicContact CD1-CZ 4.04Å
536	K	80	Confident	62.6	Low	100 Å²	100	72.6 Å²	72.6	44%	0.435	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149.2	173.9	-54.3	174.7	-178.7	175.4	0	109.8	L615 T616	K536-L615 WeakPolarHBondContact O-CA 3.35Å; K536-T616 HydrophobicContact CB-CG2 3.66Å; K536-T616 HydrophobicContact CG-CG2 4.44Å; K536-T616 PolarHBondContact N-O 3.13Å; K536-T616 PolarHBondContact O-N 2.61Å
537	L	88.6	Confident	62.6	Low	5 Å²	5	73.4 Å²	73.4	3%	0.026	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.1	168.5	-175.1	75.9	0	0	0	107.8	F508 V539 L559 Y579 G614 L615	F508-L537 HydrophobicContact CB-CD2 3.56Å; F508-L537 HydrophobicContact CD2-CD2 3.77Å; F508-L537 HydrophobicContact CG-CD2 3.71Å; L537-V539 HydrophobicContact CD2-CG2 4.3Å; L537-V539 HydrophobicContact CG-CG2 4.41Å; L537-L559 HydrophobicContact CD2-CD1 4.25Å; L537-L559 PolarHBondContact O-N 2.78Å; L537-Y579 HydrophobicContact CB-CD1 3.85Å; L537-Y579 HydrophobicContact CB-CD2 4.15Å; L537-Y579 HydrophobicContact CB-CE1 3.72Å; L537-Y579 HydrophobicContact CB-CE2 4.02Å; L537-Y579 HydrophobicContact CB-CG 4.06Å; L537-Y579 HydrophobicContact CD2-CD1 4.39Å; L537-Y579 HydrophobicContact CD2-CD2 3.79Å; L537-Y579 HydrophobicContact CD2-CE2 4.36Å; L537-Y579 HydrophobicContact CD2-CG 3.8Å; L537-G614 WeakPolarHBondContact CA-O 3.37Å; L537-G614 WeakPolarHBondContact CD1-O 3.28Å; L537-L615 HydrophobicContact CD1-CD2 4.2Å
538	F	90.5	Very high	62.4	Low	0 Å²	0	75.4 Å²	75.4	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.8	167	76.5	-96.5	0	0	0	110.2	L436 L490 R556 T557 F558 R612 I613 G614 L615	L436-F538 HydrophobicContact CD1-CE2 4.01Å; L436-F538 HydrophobicContact CD1-CZ 3.63Å; L490-F538 HydrophobicContact CB-CE1 4.28Å; L490-F538 HydrophobicContact CD2-CD1 3.54Å; L490-F538 HydrophobicContact CD2-CE1 3.71Å; L490-F538 HydrophobicContact CD2-CG 4.13Å; L490-F538 HydrophobicContact CD2-CZ 4.43Å; F538-R556 HydrophobicContact CB-CG 4.22Å; F538-R556 HydrophobicContact CD2-CG 4.32Å; F538-T557 CarbonylContact C-O 3.41Å; F538-T557 WeakPolarHBondContact CA-O 3.36Å; F538-F558 HydrophobicContact CB-CD1 3.65Å; F538-F558 HydrophobicContact CB-CE1 3.71Å; F538-R612 HydrophobicContact CE2-CG 4.04Å; F538-I613 WeakPolarHBondContact O-CA 3.16Å; F538-G614 WeakPolarHBondContact CD1-O 3.19Å; F538-G614 PolarHBondContact N-O 2.79Å; F538-G614 PolarHBondContact O-N 2.97Å; F538-L615 WeakPolarHBondContact CE1-O 3.48Å
539	V	91.7	Very high	62.2	Low	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.2	177.1	-174	0	0	0	0	107.9	F508 L537 T541 T557 L559 L584 L610 I613	F508-V539 HydrophobicContact CD2-CG2 4.4Å; F508-V539 HydrophobicContact CE2-CG2 3.96Å; L537-V539 HydrophobicContact CD2-CG2 4.3Å; L537-V539 HydrophobicContact CG-CG2 4.41Å; V539-T541 HydrophobicContact CG1-CG2 4.03Å; V539-T557 PolarHBondContact N-O 3.3Å; V539-T557 PolarHBondContact O-N 2.86Å; V539-L559 HydrophobicContact CG2-CD1 3.61Å; V539-L559 HydrophobicContact CG2-CG 4.14Å; V539-L584 HydrophobicContact CB-CD1 4.49Å; V539-L584 HydrophobicContact CB-CD2 4.02Å; V539-L584 HydrophobicContact CG1-CD1 3.98Å; V539-L584 HydrophobicContact CG1-CD2 4.26Å; V539-L610 HydrophobicContact CG1-CD2 3.73Å; V539-I613 HydrophobicContact CB-CG2 4.39Å; V539-I613 HydrophobicContact CG1-CG2 4.08Å; V539-I613 HydrophobicContact CG2-CG2 4Å
540	D	89.6	Confident	62.2	Low	0 Å²	0	74.9 Å²	74.9	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.4	169.9	-62.2	-17.5	0	0	0	108.9	F554 K555 R556 H611 R612	D540-F554 HydrophobicContact CB-CB 4.42Å; D540-F554 HydrophobicContact CB-CD2 3.58Å; D540-F554 HydrophobicContact CB-CE2 4.22Å; D540-F554 HydrophobicContact CB-CG 4.28Å; D540-F554 VanDerWaalsContact CG-CD2 3.44Å; D540-F554 WeakPolarHBondContact OD2-CE2 3.32Å; D540-K555 WeakPolarHBondContact CA-O 3.38Å; D540-R556 WeakPolarHBondContact OD1-CA 3.19Å; D540-R556 WeakPolarHBondContact OD1-CB 3.47Å; D540-R556 WeakPolarHBondContact OD1-CG 3.36Å; D540-R556 IonicContact OD1-CZ 3.99Å; D540-R556 IonicContact OD1-NE 3.1Å; D540-R556 PolarHBondContact OD1-NE 2.94Å; D540-R556 IonicContact OD1-NH2 3.9Å; D540-R556 PolarHBondContact OD1-NH2 2.89Å; D540-R556 IonicContact OD2-CZ 3.84Å; D540-R556 IonicContact OD2-NE 3.43Å; D540-R556 IonicContact OD2-NH2 3.79Å; D540-R556 PolarHBondContact OD2-NH2 2.85Å; D540-H611 HydrophobicContact CB-CB 4.1Å; D540-H611 WeakPolarHBondContact O-CB 3.29Å; D540-H611 PolarHBondContact O-N 3.37Å; D540-R612 HydrophobicContact CB-CG 3.71Å; D540-R612 PolarHBondContact N-O 3.26Å; D540-R612 PolarHBondContact O-N 2.83Å; D540-R612 WeakPolarHBondContact OD2-CD 3.47Å; D540-R612 WeakPolarHBondContact OD2-CG 3.47Å; D540-R612 IonicContact OD2-NE 3.72Å
541	T	87.4	Confident	62.8	Low	2 Å²	2	73.7 Å²	73.7	1%	0.012	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.5	-179.4	55.4	0	0	0	0	110.5	V539 H543 F554 K555 L584 I608 Y609 L610	V539-T541 HydrophobicContact CG1-CG2 4.03Å; T541-H543 PolarHBondContact O-N 3.24Å; T541-H543 PolarHBondContact OG1-CE1 2.98Å; T541-H543 VanDerWaalsContact OG1-CE1 3.28Å; T541-H543 PolarHBondContact OG1-ND1 2.86Å; T541-F554 CarbonylContact O-C 3.55Å; T541-F554 VanDerWaalsContact O-CA 3.22Å; T541-F554 WeakPolarHBondContact O-CA 3.35Å; T541-K555 PolarHBondContact N-O 3.04Å; T541-K555 PolarHBondContact O-N 2.84Å; T541-K555 PolarHBondContact OG1-O 2.92Å; T541-L584 HydrophobicContact CG2-CD1 3.88Å; T541-L584 HydrophobicContact CG2-CD2 4.29Å; T541-L584 HydrophobicContact CG2-CG 4.49Å; T541-I608 HydrophobicContact CG2-CG2 3.47Å; T541-I608 VanDerWaalsContact CG2-CG2 3.47Å; T541-Y609 CarbonylContact C-O 3.54Å; T541-Y609 VanDerWaalsContact CA-O 3.25Å; T541-Y609 WeakPolarHBondContact CA-O 3.36Å; T541-L610 HydrophobicContact CG2-CD2 4.44Å
542	F	79.2	Confident	63.2	Low	33 Å²	33	73.7 Å²	73.7	15%	0.145	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.7	173.1	-68.1	-73.2	0	0	0	110	L44 G48 V552 Y609 L610 H611	L44-F542 HydrophobicContact CD2-CZ 4.42Å; G48-F542 VanDerWaalsContact O-CE1 3.29Å; G48-F542 WeakPolarHBondContact O-CE1 3.11Å; F542-V552 HydrophobicContact CD1-CG1 3.53Å; F542-V552 HydrophobicContact CE1-CG1 3.91Å; F542-Y609 PolarHBondContact N-O 2.79Å; F542-L610 WeakPolarHBondContact CE2-O 3.38Å; F542-H611 HydrophobicContact CD2-CB 4.06Å; F542-H611 HydrophobicContact CE1-CB 4.24Å; F542-H611 HydrophobicContact CE2-CB 3.61Å; F542-H611 HydrophobicContact CZ-CB 3.72Å; F542-H611 AromaticContact CZ-CG 3.75Å; F542-H611 AromaticContact CZ-ND1 3.43Å; F542-H611 WeakPolarHBondContact CZ-ND1 3.29Å
543	H	66.1	Low	63.7	Low	79 Å²	79	69.7 Å²	69.7	37%	0.366	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121	169	-82	57.6	0	0	0	108.1	T541 L545 N553 K555	T541-H543 PolarHBondContact O-N 3.24Å; T541-H543 PolarHBondContact OG1-CE1 2.98Å; T541-H543 VanDerWaalsContact OG1-CE1 3.28Å; T541-H543 PolarHBondContact OG1-ND1 2.86Å; H543-L545 PolarHBondContact O-N 2.91Å; H543-L545 VanDerWaalsContact O-N 3.11Å; H543-N553 PolarHBondContact N-O 2.93Å; H543-N553 VanDerWaalsContact N-O 3.07Å; H543-K555 WeakPolarHBondContact ND1-CB 3.45Å
544	S	53.9	Low	64.5	Low	116 Å²	116	69.9 Å²	69.9	81%	0.811	38%	0.381	S	S	*	.			trans	-71	106.1	167.1	-174	0	0	0	0	107.5
545	L	44.1	Very low	65.4	Low	97 Å²	97	71.5 Å²	71.5	51%	0.508	38%	0.384	S	S	.	.			trans	-68	153.1	152.9	-74.5	156.2	0	0	0	107.4	H543 N553	H543-L545 PolarHBondContact O-N 2.91Å; H543-L545 VanDerWaalsContact O-N 3.11Å; L545-N553 HydrophobicContact CD1-CB 3.89Å; L545-N553 WeakPolarHBondContact CD1-ND2 3.44Å
546	D	39	Very low	66.2	Low	143 Å²	143	74 Å²	74	77%	0.765	39%	0.393	S	S	*	.			trans	-43.1	145.5	-176.6	-100.4	-45.5	0	0	0	113	N548 D549	D546-N548 PolarHBondContact O-N 2.87Å; D546-D549 PolarHBondContact O-N 2.8Å
547	K	42.6	Very low	66.5	Low	205 Å²	205	70.1 Å²	70.1	89%	0.891	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	2.7	-173	-69	-179.1	176.1	177.4	0	117
548	N	42.1	Very low	66.5	Low	151 Å²	151	74.1 Å²	74.1	81%	0.807	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-17	-172.8	-69.5	-20.7	0	0	0	114.7	D546	D546-N548 PolarHBondContact O-N 2.87Å
549	D	41.1	Very low	66.2	Low	127 Å²	127	74.1 Å²	74.1	68%	0.679	40%	0.395	S	S	*	.	S	Bend	trans	-110.7	115.2	169.9	-82.2	-28.2	0	0	0	108.6	D546 E551	D546-D549 PolarHBondContact O-N 2.8Å; D549-E551 PolarHBondContact O-N 2.91Å
550	G	45.1	Very low	65.6	Low	80 Å²	80	79.5 Å²	79.5	83%	0.825	42%	0.423	S	S	*	.			trans	-67	18.7	179.9	0	0	0	0	0	114.9
551	E	51	Low	65.2	Low	122 Å²	122	80.2 Å²	80.2	57%	0.57	43%	0.429	S	S	*	.			trans	-96.5	106.2	177.7	-70.4	-167.8	164.6	0	0	110.2	F49 D549 N553	F49-E551 HydrophobicContact CZ-CB 4.19Å; F49-E551 HydrophobicContact CZ-CG 4.26Å; D549-E551 PolarHBondContact O-N 2.91Å; E551-N553 PolarHBondContact O-N 3.36Å
552	V	55.4	Low	64.6	Low	60 Å²	60	84.5 Å²	84.5	36%	0.364	45%	0.451	S	S	.	.			trans	-72.1	112.5	166.7	177	0	0	0	0	107.1	F542	F542-V552 HydrophobicContact CD1-CG1 3.53Å; F542-V552 HydrophobicContact CE1-CG1 3.91Å
553	N	62.5	Low	64.1	Low	68 Å²	68	87.4 Å²	87.4	36%	0.364	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.7	171.6	-81.1	-39.8	0	0	0	110	H543 L545 E551	H543-N553 PolarHBondContact N-O 2.93Å; H543-N553 VanDerWaalsContact N-O 3.07Å; L545-N553 HydrophobicContact CD1-CB 3.89Å; L545-N553 WeakPolarHBondContact CD1-ND2 3.44Å; E551-N553 PolarHBondContact O-N 3.36Å
554	F	73	Confident	63.8	Low	54 Å²	54	88.1 Å²	88.1	24%	0.237	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	148.6	168.6	70.8	-86.1	0	0	0	109.8	F47 D540 T541 R556	F47-F554 HydrophobicContact CB-CE1 4.36Å; F47-F554 HydrophobicContact CD1-CE1 4.16Å; D540-F554 HydrophobicContact CB-CB 4.42Å; D540-F554 HydrophobicContact CB-CD2 3.58Å; D540-F554 HydrophobicContact CB-CE2 4.22Å; D540-F554 HydrophobicContact CB-CG 4.28Å; D540-F554 VanDerWaalsContact CG-CD2 3.44Å; D540-F554 WeakPolarHBondContact OD2-CE2 3.32Å; T541-F554 CarbonylContact O-C 3.55Å; T541-F554 VanDerWaalsContact O-CA 3.22Å; T541-F554 WeakPolarHBondContact O-CA 3.35Å; F554-R556 HydrophobicContact CE2-CB 4.36Å
555	K	80.3	Confident	63.8	Low	48 Å²	48	90.7 Å²	90.7	21%	0.209	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.4	170.5	-177.8	-175.6	175	-169.3	0	108.4	D540 T541 H543 S586	D540-K555 WeakPolarHBondContact CA-O 3.38Å; T541-K555 PolarHBondContact N-O 3.04Å; T541-K555 PolarHBondContact O-N 2.84Å; T541-K555 PolarHBondContact OG1-O 2.92Å; H543-K555 WeakPolarHBondContact ND1-CB 3.45Å; K555-S586 PolarHBondContact NZ-O 2.78Å
556	R	87.3	Confident	64.2	Low	65 Å²	65	89 Å²	89	25%	0.245	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.4	169.6	-178.2	161.3	-67.3	159.8	3.7	109.7	F538 D540 F554 F558	F538-R556 HydrophobicContact CB-CG 4.22Å; F538-R556 HydrophobicContact CD2-CG 4.32Å; D540-R556 WeakPolarHBondContact OD1-CA 3.19Å; D540-R556 WeakPolarHBondContact OD1-CB 3.47Å; D540-R556 WeakPolarHBondContact OD1-CG 3.36Å; D540-R556 IonicContact OD1-CZ 3.99Å; D540-R556 IonicContact OD1-NE 3.1Å; D540-R556 PolarHBondContact OD1-NE 2.94Å; D540-R556 IonicContact OD1-NH2 3.9Å; D540-R556 PolarHBondContact OD1-NH2 2.89Å; D540-R556 IonicContact OD2-CZ 3.84Å; D540-R556 IonicContact OD2-NE 3.43Å; D540-R556 IonicContact OD2-NH2 3.79Å; D540-R556 PolarHBondContact OD2-NH2 2.85Å; F554-R556 HydrophobicContact CE2-CB 4.36Å; R556-F558 HydrophobicContact CG-CE1 4.49Å; R556-F558 HydrophobicContact CG-CE2 4.06Å; R556-F558 HydrophobicContact CG-CZ 4.01Å
557	T	86.9	Confident	64.8	Low	18 Å²	18	86.7 Å²	86.7	11%	0.11	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136	172.6	-55.6	0	0	0	0	109	F538 V539 L559 D583 L584	F538-T557 CarbonylContact C-O 3.41Å; F538-T557 WeakPolarHBondContact CA-O 3.36Å; V539-T557 PolarHBondContact N-O 3.3Å; V539-T557 PolarHBondContact O-N 2.86Å; T557-L559 HydrophobicContact CG2-CD2 3.97Å; T557-D583 HydrophobicContact CG2-CB 4.49Å; T557-L584 VanDerWaalsContact CB-CD2 3.48Å; T557-L584 HydrophobicContact CG2-CD2 3.85Å
558	F	87.1	Confident	65.2	Low	88 Å²	88	82.4 Å²	82.4	39%	0.386	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.7	174.3	-62.3	-83.6	0	0	0	108.6	L490 F538 R556 T616	L490-F558 HydrophobicContact CD2-CE1 3.95Å; L490-F558 HydrophobicContact CD2-CZ 4.37Å; F538-F558 HydrophobicContact CB-CD1 3.65Å; F538-F558 HydrophobicContact CB-CE1 3.71Å; R556-F558 HydrophobicContact CG-CE1 4.49Å; R556-F558 HydrophobicContact CG-CE2 4.06Å; R556-F558 HydrophobicContact CG-CZ 4.01Å; F558-T616 HydrophobicContact CD1-CG2 3.56Å; F558-T616 HydrophobicContact CE1-CG2 3.61Å
559	L	85.2	Confident	65.6	Low	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	141.1	178.8	-56.6	-178	0	0	0	109.8	F508 L537 V539 T557 Y579 V581 D583 L584	F508-L559 HydrophobicContact CD2-CD1 4.4Å; L537-L559 HydrophobicContact CD2-CD1 4.25Å; L537-L559 PolarHBondContact O-N 2.78Å; V539-L559 HydrophobicContact CG2-CD1 3.61Å; V539-L559 HydrophobicContact CG2-CG 4.14Å; T557-L559 HydrophobicContact CG2-CD2 3.97Å; L559-Y579 HydrophobicContact CB-CD1 3.82Å; L559-Y579 HydrophobicContact CB-CG 4.37Å; L559-V581 HydrophobicContact CD1-CG1 4.31Å; L559-D583 HydrophobicContact CD2-CB 4.08Å; L559-L584 HydrophobicContact CD2-CD2 4.09Å
560	I	79.3	Confident	66.2	Low	114 Å²	114	74.5 Å²	74.5	59%	0.585	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-100.7	142.5	174.2	-57.5	175.5	0	0	0	107.4
561	A	80.7	Confident	66.6	Low	15 Å²	15	78.8 Å²	78.8	12%	0.124	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-73.7	140.5	178.1	0	0	0	0	0	110.7	E563 L577 H578 Y579	A561-E563 VanDerWaalsContact C-N 3.26Å; A561-E563 PolarHBondContact O-N 2.85Å; A561-L577 HydrophobicContact CB-CB 3.98Å; A561-L577 HydrophobicContact CB-CD2 4.1Å; A561-H578 CarbonylContact C-O 3.59Å; A561-H578 WeakPolarHBondContact CA-O 3.48Å; A561-Y579 HydrophobicContact CB-CD1 4.22Å; A561-Y579 HydrophobicContact CB-CE1 3.78Å
562	D	75.4	Confident	67	Low	91 Å²	91	74.3 Å²	74.3	49%	0.487	36%	0.362	S	S	.	.	S	Bend	trans	-64.3	-33.2	178.6	-65.8	-26.6	0	0	0	112.4	H578 N580	D562-H578 PolarHBondContact N-O 3.17Å; D562-N580 PolarHBondContact OD1-ND2 2.78Å; D562-N580 PolarHBondContact OD2-ND2 3.49Å
563	E	67.6	Low	67.5	Low	94 Å²	94	73.1 Å²	73.1	44%	0.439	36%	0.356	S	S	.	.			trans	-143.3	132.1	179.5	-62.4	-166.2	169	0	0	109.7	A561 R565	A561-E563 VanDerWaalsContact C-N 3.26Å; A561-E563 PolarHBondContact O-N 2.85Å; E563-R565 VanDerWaalsContact CD-NH1 3.29Å; E563-R565 IonicContact OE1-CZ 2.75Å; E563-R565 IonicContact OE1-NH1 3.52Å; E563-R565 PolarHBondContact OE1-NH1 3.38Å; E563-R565 VanDerWaalsContact OE1-NH1 3.14Å; E563-R565 WeakPolarHBondContact OE2-CD 3.31Å; E563-R565 IonicContact OE2-CZ 3.7Å; E563-R565 IonicContact OE2-NE 3.42Å; E563-R565 IonicContact OE2-NH1 3.67Å; E563-R565 PolarHBondContact OE2-NH1 2.9Å
564	E	60.2	Low	68.1	Low	94 Å²	94	70 Å²	70	44%	0.439	34%	0.339	S	S	.	.			trans	-99.8	32.7	175	-61.3	-171.1	169.5	0	0	111.9
565	R	54.2	Low	68.2	Low	170 Å²	170	67.7 Å²	67.7	64%	0.642	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-73.6	135.6	-176.1	-72.7	-175.1	175.7	141.1	-3	111.9	E563	E563-R565 VanDerWaalsContact CD-NH1 3.29Å; E563-R565 IonicContact OE1-CZ 2.75Å; E563-R565 IonicContact OE1-NH1 3.52Å; E563-R565 PolarHBondContact OE1-NH1 3.38Å; E563-R565 VanDerWaalsContact OE1-NH1 3.14Å; E563-R565 WeakPolarHBondContact OE2-CD 3.31Å; E563-R565 IonicContact OE2-CZ 3.7Å; E563-R565 IonicContact OE2-NE 3.42Å; E563-R565 IonicContact OE2-NH1 3.67Å; E563-R565 PolarHBondContact OE2-NH1 2.9Å
566	I	51.5	Low	68.3	Low	63 Å²	63	66.2 Å²	66.2	32%	0.323	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.7	174.3	-55.4	-177.9	0	0	0	109.3	L529 P573	L529-I566 HydrophobicContact CB-CD1 4.28Å; L529-I566 WeakPolarHBondContact O-CD1 3.46Å; I566-P573 HydrophobicContact CG2-CB 3.71Å
567	E	53.5	Low	68.1	Low	94 Å²	94	63.6 Å²	63.6	44%	0.439	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.2	168.5	-64.2	-171.4	154.9	0	0	110.2	K569 P573 W574	E567-K569 WeakPolarHBondContact OE2-CE 3.43Å; E567-K569 IonicContact OE2-NZ 3.79Å; E567-K569 PolarHBondContact OE2-NZ 3.1Å; E567-P573 CarbonylContact O-C 3.48Å; E567-P573 WeakPolarHBondContact O-CA 3.26Å; E567-W574 CarbonylContact C-O 3.35Å; E567-W574 WeakPolarHBondContact CA-O 3.43Å; E567-W574 WeakPolarHBondContact CB-O 3.01Å; E567-W574 PolarHBondContact N-O 2.93Å; E567-W574 CarbonylContact O-C 3.57Å; E567-W574 PolarHBondContact O-N 2.72Å
568	L	49.4	Very low	68.2	Low	114 Å²	114	65.9 Å²	65.9	60%	0.597	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.3	170.1	-73.7	165	0	0	0	108.9	P573	L568-P573 HydrophobicContact CD2-CB 4.02Å
569	K	51.3	Low	68.3	Low	36 Å²	36	61.8 Å²	61.8	16%	0.157	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.5	177.6	-71.1	-177	176.6	165.8	0	111.5	Y460 E461 E567 N571 I572 W574	Y460-K569 HydrophobicContact CD2-CD 4.39Å; Y460-K569 HydrophobicContact CE2-CD 3.83Å; Y460-K569 PolarHBondContact OH-NZ 2.84Å; E461-K569 HydrophobicContact CG-CD 3.88Å; E461-K569 IonicContact OE1-NZ 3.92Å; E461-K569 PolarHBondContact OE1-NZ 2.61Å; E567-K569 WeakPolarHBondContact OE2-CE 3.43Å; E567-K569 IonicContact OE2-NZ 3.79Å; E567-K569 PolarHBondContact OE2-NZ 3.1Å; K569-N571 VanDerWaalsContact C-N 3.28Å; K569-N571 PolarHBondContact O-N 2.76Å; K569-I572 CarbonylContact C-O 3.54Å; K569-I572 PolarHBondContact N-O 3.31Å; K569-I572 CarbonylContact O-C 3.27Å; K569-I572 PolarHBondContact O-N 3.43Å; K569-W574 HydrophobicContact CB-CB 4.49Å; K569-W574 HydrophobicContact CB-CG 4.45Å
570	N	52.5	Low	68.4	Low	77 Å²	77	63.7 Å²	63.7	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	39	-179	-59.5	-25.2	0	0	0	113.9	T458 G459 I572	T458-N570 WeakPolarHBondContact OG1-CB 3.46Å; G459-N570 PolarHBondContact O-ND2 3.06Å; G459-N570 VanDerWaalsContact O-ND2 3.14Å; N570-I572 PolarHBondContact O-N 3.39Å
571	N	54	Low	68.7	Low	170 Å²	170	58.3 Å²	58.3	91%	0.909	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	13.1	-173.1	-56.1	-34.6	0	0	0	115	K569	K569-N571 VanDerWaalsContact C-N 3.28Å; K569-N571 PolarHBondContact O-N 2.76Å
572	I	60.6	Low	68.5	Low	27 Å²	27	61 Å²	61	14%	0.138	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.8	174.6	-59.7	175.9	0	0	0	108	T513 K569 N570 W574	T513-I572 HydrophobicContact CG2-CG2 3.69Å; T513-I572 WeakPolarHBondContact OG1-CG2 3.16Å; K569-I572 CarbonylContact C-O 3.54Å; K569-I572 PolarHBondContact N-O 3.31Å; K569-I572 CarbonylContact O-C 3.27Å; K569-I572 PolarHBondContact O-N 3.43Å; N570-I572 PolarHBondContact O-N 3.39Å; I572-W574 PolarHBondContact O-N 3.38Å; I572-W574 VanDerWaalsContact O-N 3.1Å
573	P	66.3	Low	68.3	Low	36 Å²	36	60.5 Å²	60.5	23%	0.234	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	102.7	177.2	28.1	-31.1	0	0	0	109.8	T513 I566 E567 L568	T513-P573 WeakPolarHBondContact CB-O 3.48Å; T513-P573 PolarHBondContact OG1-O 2.92Å; I566-P573 HydrophobicContact CG2-CB 3.71Å; E567-P573 CarbonylContact O-C 3.48Å; E567-P573 WeakPolarHBondContact O-CA 3.26Å; L568-P573 HydrophobicContact CD2-CB 4.02Å
574	W	74.4	Confident	68.6	Low	3 Å²	3	56.2 Å²	56.2	1%	0.011	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.8	173.8	-74.6	93.2	0	0	0	110.2	Y460 A511 I512 T513 E567 K569 I572 L636 G638	Y460-W574 HydrophobicContact CD2-CB 4.22Å; Y460-W574 AromaticContact CD2-CD2 3.92Å; Y460-W574 HydrophobicContact CD2-CD2 3.92Å; Y460-W574 HydrophobicContact CD2-CE3 4.21Å; Y460-W574 AromaticContact CD2-CG 3.95Å; Y460-W574 HydrophobicContact CD2-CG 3.95Å; Y460-W574 HydrophobicContact CE2-CB 4.13Å; Y460-W574 HydrophobicContact CE2-CG 4.36Å; A511-W574 HydrophobicContact CB-CE3 3.94Å; A511-W574 HydrophobicContact CB-CZ3 4.35Å; A511-W574 WeakPolarHBondContact O-CZ3 3.4Å; I512-W574 VanDerWaalsContact C-CE3 3.5Å; I512-W574 CarbonylContact O-C 3.59Å; I512-W574 WeakPolarHBondContact O-CA 3.45Å; T513-W574 HydrophobicContact CG2-CD2 3.99Å; T513-W574 HydrophobicContact CG2-CE3 3.88Å; T513-W574 HydrophobicContact CG2-CH2 3.73Å; T513-W574 HydrophobicContact CG2-CZ2 3.85Å; T513-W574 HydrophobicContact CG2-CZ3 3.73Å; E567-W574 CarbonylContact C-O 3.35Å; E567-W574 WeakPolarHBondContact CA-O 3.43Å; E567-W574 WeakPolarHBondContact CB-O 3.01Å; E567-W574 PolarHBondContact N-O 2.93Å; E567-W574 CarbonylContact O-C 3.57Å; E567-W574 PolarHBondContact O-N 2.72Å; K569-W574 HydrophobicContact CB-CB 4.49Å; K569-W574 HydrophobicContact CB-CG 4.45Å; I572-W574 PolarHBondContact O-N 3.38Å; I572-W574 VanDerWaalsContact O-N 3.1Å; W574-L636 HydrophobicContact CH2-CB 4Å; W574-G638 VanDerWaalsContact CH2-CA 3.44Å
575	S	75.7	Confident	68.7	Low	4 Å²	4	54.9 Å²	54.9	3%	0.028	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.2	166.6	-53.1	0	0	0	0	109.4	A511 I512	A511-S575 WeakPolarHBondContact CA-O 3.46Å; I512-S575 PolarHBondContact N-O 3.31Å; I512-S575 PolarHBondContact O-N 2.98Å
576	V	81.1	Confident	68.6	Low	17 Å²	17	49.6 Å²	49.6	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106.2	176.5	-173.6	0	0	0	0	107.9	Y460 K509 L510 H578	Y460-V576 HydrophobicContact CE2-CG2 3.94Å; Y460-V576 WeakPolarHBondContact OH-CG2 3.25Å; K509-V576 HydrophobicContact CD-CG1 4.24Å; K509-V576 HydrophobicContact CG-CG1 3.9Å; L510-V576 WeakPolarHBondContact O-CA 3.46Å; V576-H578 WeakPolarHBondContact CG1-NE2 3.48Å
577	L	83.9	Confident	68.4	Low	11 Å²	11	50 Å²	50	6%	0.058	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.7	-176.8	-53.2	179.9	0	0	0	109	K509 L510 I512 A561 Y579	K509-L577 CarbonylContact C-O 3.44Å; K509-L577 WeakPolarHBondContact CA-O 3.44Å; L510-L577 HydrophobicContact CB-CB 4.41Å; L510-L577 PolarHBondContact N-O 2.85Å; L510-L577 PolarHBondContact O-N 3.24Å; I512-L577 HydrophobicContact CG2-CD1 3.79Å; I512-L577 HydrophobicContact CG2-CG 4.17Å; A561-L577 HydrophobicContact CB-CB 3.98Å; A561-L577 HydrophobicContact CB-CD2 4.1Å; L577-Y579 HydrophobicContact CB-CD2 4.43Å; L577-Y579 HydrophobicContact CB-CE2 3.54Å; L577-Y579 WeakPolarHBondContact CD1-OH 3.43Å
578	H	88.4	Confident	67.8	Low	65 Å²	65	50.4 Å²	50.4	30%	0.301	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.8	177	-73.2	-99.1	0	0	0	109.4	A561 D562 V576	A561-H578 CarbonylContact C-O 3.59Å; A561-H578 WeakPolarHBondContact CA-O 3.48Å; D562-H578 PolarHBondContact N-O 3.17Å; V576-H578 WeakPolarHBondContact CG1-NE2 3.48Å
579	Y	89.1	Confident	67.4	Low	3 Å²	3	52 Å²	52	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.1	-179	-56.2	-90.4	0	0	0	109.6	Q507 F508 L510 L537 L559 A561 L577	Q507-Y579 WeakPolarHBondContact CA-O 3.13Å; F508-Y579 HydrophobicContact CB-CD2 4.38Å; F508-Y579 PolarHBondContact N-O 2.94Å; F508-Y579 PolarHBondContact O-N 3.2Å; L510-Y579 HydrophobicContact CB-CE2 4.15Å; L537-Y579 HydrophobicContact CB-CD1 3.85Å; L537-Y579 HydrophobicContact CB-CD2 4.15Å; L537-Y579 HydrophobicContact CB-CE1 3.72Å; L537-Y579 HydrophobicContact CB-CE2 4.02Å; L537-Y579 HydrophobicContact CB-CG 4.06Å; L537-Y579 HydrophobicContact CD2-CD1 4.39Å; L537-Y579 HydrophobicContact CD2-CD2 3.79Å; L537-Y579 HydrophobicContact CD2-CE2 4.36Å; L537-Y579 HydrophobicContact CD2-CG 3.8Å; L559-Y579 HydrophobicContact CB-CD1 3.82Å; L559-Y579 HydrophobicContact CB-CG 4.37Å; A561-Y579 HydrophobicContact CB-CD1 4.22Å; A561-Y579 HydrophobicContact CB-CE1 3.78Å; L577-Y579 HydrophobicContact CB-CD2 4.43Å; L577-Y579 HydrophobicContact CB-CE2 3.54Å; L577-Y579 WeakPolarHBondContact CD1-OH 3.43Å
580	N	87.2	Confident	66.8	Low	40 Å²	40	57.1 Å²	57.1	21%	0.214	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.9	170.7	-69.7	-52.3	0	0	0	110.5	Q507 D562 T582	Q507-N580 WeakPolarHBondContact CG-OD1 3.13Å; Q507-N580 PolarHBondContact NE2-OD1 2.7Å; D562-N580 PolarHBondContact OD1-ND2 2.78Å; D562-N580 PolarHBondContact OD2-ND2 3.49Å; N580-T582 VanDerWaalsContact C-N 3.27Å; N580-T582 PolarHBondContact O-N 3.32Å
581	V	85.7	Confident	65.8	Low	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-88.6	9.2	178	-54.2	0	0	0	0	113.6	I502 S503 A506 F508 L559 D583 L584 I608	I502-V581 HydrophobicContact CD1-CB 4.37Å; I502-V581 HydrophobicContact CD1-CG1 3.97Å; I502-V581 HydrophobicContact CD1-CG2 4.2Å; S503-V581 WeakPolarHBondContact O-CG2 3.34Å; A506-V581 HydrophobicContact CB-CG2 3.97Å; A506-V581 WeakPolarHBondContact O-CG1 3.28Å; A506-V581 WeakPolarHBondContact O-CG2 3.21Å; A506-V581 PolarHBondContact O-N 2.98Å; F508-V581 HydrophobicContact CD2-CG1 3.83Å; F508-V581 HydrophobicContact CE2-CG1 3.77Å; L559-V581 HydrophobicContact CD1-CG1 4.31Å; V581-D583 PolarHBondContact O-N 3.5Å; V581-D583 VanDerWaalsContact O-N 3.1Å; V581-L584 HydrophobicContact CB-CD1 3.62Å; V581-L584 HydrophobicContact CB-CG 3.93Å; V581-L584 HydrophobicContact CG1-CD1 4.01Å; V581-L584 HydrophobicContact CG2-CD1 4.5Å; V581-L584 VanDerWaalsContact O-CB 3.28Å; V581-L584 WeakPolarHBondContact O-CB 3.18Å; V581-L584 WeakPolarHBondContact O-CG 3.35Å; V581-L584 PolarHBondContact O-N 2.58Å; V581-I608 HydrophobicContact CG2-CD1 4.17Å
582	T	75.8	Confident	65	Low	72 Å²	72	56.8 Å²	56.8	44%	0.442	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55.1	-31.5	-179.6	46.4	0	0	0	0	112.4	N580 L584	N580-T582 VanDerWaalsContact C-N 3.27Å; N580-T582 PolarHBondContact O-N 3.32Å; T582-L584 VanDerWaalsContact C-N 3.27Å; T582-L584 PolarHBondContact O-N 2.82Å
583	D	71.1	Confident	63.8	Low	81 Å²	81	58 Å²	58	43%	0.433	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-75.9	-8.8	178.7	-63.4	-22.4	0	0	0	114	T557 L559 V581 I585 S586	T557-D583 HydrophobicContact CG2-CB 4.49Å; L559-D583 HydrophobicContact CD2-CB 4.08Å; V581-D583 PolarHBondContact O-N 3.5Å; V581-D583 VanDerWaalsContact O-N 3.1Å; D583-I585 VanDerWaalsContact C-N 3.26Å; D583-I585 PolarHBondContact O-N 2.9Å; D583-S586 PolarHBondContact O-OG 3.02Å; D583-S586 VanDerWaalsContact O-OG 3.06Å
584	L	74.4	Confident	62.3	Low	4 Å²	4	63.8 Å²	63.8	2%	0.021	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-69.7	-26.6	176.1	-61.3	-173.7	0	0	0	112	I502 V539 T541 T557 L559 V581 T582 I608	I502-L584 HydrophobicContact CD1-CD1 4.44Å; V539-L584 HydrophobicContact CB-CD1 4.49Å; V539-L584 HydrophobicContact CB-CD2 4.02Å; V539-L584 HydrophobicContact CG1-CD1 3.98Å; V539-L584 HydrophobicContact CG1-CD2 4.26Å; T541-L584 HydrophobicContact CG2-CD1 3.88Å; T541-L584 HydrophobicContact CG2-CD2 4.29Å; T541-L584 HydrophobicContact CG2-CG 4.49Å; T557-L584 VanDerWaalsContact CB-CD2 3.48Å; T557-L584 HydrophobicContact CG2-CD2 3.85Å; L559-L584 HydrophobicContact CD2-CD2 4.09Å; V581-L584 HydrophobicContact CB-CD1 3.62Å; V581-L584 HydrophobicContact CB-CG 3.93Å; V581-L584 HydrophobicContact CG1-CD1 4.01Å; V581-L584 HydrophobicContact CG2-CD1 4.5Å; V581-L584 VanDerWaalsContact O-CB 3.28Å; V581-L584 WeakPolarHBondContact O-CB 3.18Å; V581-L584 WeakPolarHBondContact O-CG 3.35Å; V581-L584 PolarHBondContact O-N 2.58Å; T582-L584 VanDerWaalsContact C-N 3.27Å; T582-L584 PolarHBondContact O-N 2.82Å; L584-I608 HydrophobicContact CB-CD1 4.06Å; L584-I608 HydrophobicContact CB-CG2 4.39Å; L584-I608 HydrophobicContact CD1-CD1 4.32Å; L584-I608 HydrophobicContact CD1-CG2 3.95Å
585	I	63	Low	60.5	Low	65 Å²	65	68.1 Å²	68.1	33%	0.333	37%	0.374	S	S	.	.	S	Bend	trans	-88.6	-21.5	-175.8	-68.7	161	0	0	0	112.5	D504 D583 D587 I608	D504-I585 HydrophobicContact CB-CD1 3.12Å; D583-I585 VanDerWaalsContact C-N 3.26Å; D583-I585 PolarHBondContact O-N 2.9Å; I585-D587 PolarHBondContact O-N 3.1Å; I585-I608 HydrophobicContact CD1-CD1 4Å; I585-I608 HydrophobicContact CD1-CG1 4.44Å; I585-I608 HydrophobicContact CG1-CD1 4.02Å; I585-I608 HydrophobicContact CG1-CG1 4.26Å
586	S	51.2	Low	58.7	Low	60 Å²	60	72.8 Å²	72.8	42%	0.42	40%	0.395	S	S	.	.			trans	-77.2	118.5	-179.8	50.2	0	0	0	0	110.7	K555 D583 P588	K555-S586 PolarHBondContact NZ-O 2.78Å; D583-S586 PolarHBondContact O-OG 3.02Å; D583-S586 VanDerWaalsContact O-OG 3.06Å; S586-P588 WeakPolarHBondContact O-CD 3.3Å
587	D	48.3	Very low	56.5	Low	70 Å²	70	80.6 Å²	80.6	37%	0.374	42%	0.423	S	S	.	.			trans	-82.6	105.5	163	-178.8	2.8	0	0	0	107.9	I585 N589 K590	I585-D587 PolarHBondContact O-N 3.1Å; D587-N589 PolarHBondContact O-N 2.75Å; D587-N589 VanDerWaalsContact O-N 3.11Å; D587-N589 WeakPolarHBondContact OD1-CB 3.48Å; D587-N589 PolarHBondContact OD1-N 2.87Å; D587-K590 HydrophobicContact CB-CB 4.31Å; D587-K590 PolarHBondContact O-N 3.41Å
588	P	41	Very low	54	Low	104 Å²	104	88.5 Å²	88.5	68%	0.675	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15	179.9	26.1	-33	0	0	0	112.7	S586	S586-P588 WeakPolarHBondContact O-CD 3.3Å
589	N	39.6	Very low	51.2	Low	147 Å²	147	89.1 Å²	89.1	79%	0.786	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-7.7	179.5	-69.1	-32.3	0	0	0	114.1	D587 N591	D587-N589 PolarHBondContact O-N 2.75Å; D587-N589 VanDerWaalsContact O-N 3.11Å; D587-N589 WeakPolarHBondContact OD1-CB 3.48Å; D587-N589 PolarHBondContact OD1-N 2.87Å; N589-N591 PolarHBondContact O-N 2.9Å
590	K	39.3	Very low	48.4	Very low	143 Å²	143	95.6 Å²	95.6	62%	0.622	51%	0.508	S	S	*	.	S	Bend	trans	-87.5	106.5	162.2	-87.8	-179.1	174	175.2	0	108.1	D587 I592	D587-K590 HydrophobicContact CB-CB 4.31Å; D587-K590 PolarHBondContact O-N 3.41Å; K590-I592 HydrophobicContact CB-CD1 4.38Å; K590-I592 HydrophobicContact CB-CG1 3.85Å; K590-I592 PolarHBondContact O-N 3.17Å
591	N	32.8	Very low	45.5	Very low	168 Å²	168	98.7 Å²	98.7	90%	0.898	53%	0.529	S	S	*	.			trans	-62.6	76.8	160	-87.1	-29.1	0	0	0	108.9	N589 S593	N589-N591 PolarHBondContact O-N 2.9Å; N591-S593 PolarHBondContact O-N 2.77Å
592	I	36.3	Very low	42.8	Very low	73 Å²	73	105 Å²	105	37%	0.374	57%	0.568	S	S	.	*			trans	-73.7	113.1	169.6	-58.8	-178.3	0	0	0	105.5	K590 E596 R597	K590-I592 HydrophobicContact CB-CD1 4.38Å; K590-I592 HydrophobicContact CB-CG1 3.85Å; K590-I592 PolarHBondContact O-N 3.17Å; I592-E596 HydrophobicContact CG2-CB 3.35Å; I592-R597 HydrophobicContact CG2-CG 4.19Å
593	S	34.4	Very low	40.7	Very low	52 Å²	52	107.4 Å²	107.4	36%	0.364	59%	0.587	S	S	.	*			trans	-53.7	147.3	175.5	63	0	0	0	0	110.4	N591 S595 E596 R597	N591-S593 PolarHBondContact O-N 2.77Å; S593-S595 PolarHBondContact O-N 2.7Å; S593-S595 PolarHBondContact OG-OG 3.12Å; S593-E596 PolarHBondContact O-N 2.88Å; S593-E596 PolarHBondContact OG-N 2.8Å; S593-R597 PolarHBondContact O-N 2.81Å
594	E	35.8	Very low	39.2	Very low	158 Å²	158	108.8 Å²	108.8	74%	0.738	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-24	177.1	-75.9	-178.5	151.7	0	0	112.8
595	S	36.9	Very low	38.1	Very low	94 Å²	94	111.7 Å²	111.7	66%	0.657	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-25	173.1	44.3	0	0	0	0	115.2	S593	S593-S595 PolarHBondContact O-N 2.7Å; S593-S595 PolarHBondContact OG-OG 3.12Å
596	E	37.2	Very low	38.3	Very low	102 Å²	102	114.3 Å²	114.3	48%	0.477	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	-20.8	175.7	-77.4	174.7	153.8	0	0	112.5	I592 S593 F598 S599	I592-E596 HydrophobicContact CG2-CB 3.35Å; S593-E596 PolarHBondContact O-N 2.88Å; S593-E596 PolarHBondContact OG-N 2.8Å; E596-F598 PolarHBondContact O-N 2.88Å; E596-S599 PolarHBondContact O-N 2.84Å; E596-S599 PolarHBondContact O-OG 3.39Å
597	R	34.2	Very low	39.6	Very low	180 Å²	180	114.3 Å²	114.3	68%	0.679	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-22.3	172.6	-74	-174.4	-173.4	174.1	0.6	113.4	I592 S593	I592-R597 HydrophobicContact CG2-CG 4.19Å; S593-R597 PolarHBondContact O-N 2.81Å
598	F	32.7	Very low	41.5	Very low	178 Å²	178	111.7 Å²	111.7	78%	0.781	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	0.4	-178.8	-77.4	-81.6	0	0	0	114.2	E596	E596-F598 PolarHBondContact O-N 2.88Å
599	S	28.9	Very low	43.7	Very low	77 Å²	77	111.5 Å²	111.5	54%	0.538	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103	-2	-179.6	63	0	0	0	0	115.2	E596 T601	E596-S599 PolarHBondContact O-N 2.84Å; E596-S599 PolarHBondContact O-OG 3.39Å; S599-T601 PolarHBondContact O-N 2.94Å
600	V	30.6	Very low	46.1	Very low	140 Å²	140	104.5 Å²	104.5	85%	0.848	57%	0.569	S	S	*	*			trans	-84.7	63	165.1	-167.4	0	0	0	0	109.3
601	T	26.5	Very low	48.4	Very low	104 Å²	104	97.7 Å²	97.7	64%	0.638	54%	0.539	S	S	*	.			trans	-100.2	133.8	164.8	39.7	0	0	0	0	107.4	S599	S599-T601 PolarHBondContact O-N 2.94Å
602	T	29.2	Very low	51.2	Low	134 Å²	134	89.9 Å²	89.9	82%	0.822	50%	0.497	S	S	*	.	S	Bend	trans	99.4	91.6	167.1	70.9	0	0	0	0	118.8
603	S	31.3	Very low	53.9	Low	122 Å²	122	86.4 Å²	86.4	85%	0.853	48%	0.479	S	S	*	.			trans	60.1	78.7	139.9	71.3	0	0	0	0	121.1
604	S	39.4	Very low	56.7	Low	109 Å²	109	84 Å²	84	76%	0.762	46%	0.462	S	S	*	.				-159	119.8	129.9	59.3	0	0	0	0	107.9	Q606	S604-Q606 PolarHBondContact O-N 2.89Å
605	S	52.4	Low	59.1	Low	65 Å²	65	76.4 Å²	76.4	46%	0.455	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-56.2	116.8	179.5	-33.9	0	0	0	0	109.4	C607 Q646	S605-C607 PolarHBondContact O-N 3.27Å; S605-Q646 PolarHBondContact OG-NE2 2.66Å
606	Q	65.7	Low	61.4	Low	121 Å²	121	72.1 Å²	72.1	57%	0.565	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-72.6	122.5	175.3	-78.8	-173.2	-22.4	0	0	109.4	S604	S604-Q606 PolarHBondContact O-N 2.89Å
607	C	79.5	Confident	63.2	Low	59 Å²	59	67.3 Å²	67.3	40%	0.399	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-81.1	126.5	172.8	-52	0	0	0	0	110.7	F501 S605 Y609 W647	F501-C607 HydrophobicContact CB-CB 4.46Å; S605-C607 PolarHBondContact O-N 3.27Å; C607-Y609 HydrophobicContact CB-CE2 4.06Å; C607-W647 HydrophobicContact CB-CH2 3.96Å; C607-W647 WeakPolarHBondContact SG-CH2 2.93Å
608	I	86.9	Confident	64.6	Low	15 Å²	15	59.9 Å²	59.9	8%	0.077	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.9	173.3	-54.7	166.8	0	0	0	107.9	F501 I502 T541 V581 L584 I585	F501-I608 CarbonylContact C-O 3.35Å; F501-I608 WeakPolarHBondContact CA-O 3.38Å; I502-I608 HydrophobicContact CG1-CB 3.91Å; I502-I608 HydrophobicContact CG1-CD1 4.48Å; I502-I608 HydrophobicContact CG1-CG2 4.33Å; I502-I608 PolarHBondContact N-O 2.97Å; I502-I608 WeakPolarHBondContact O-CB 3.32Å; I502-I608 PolarHBondContact O-N 3.26Å; T541-I608 HydrophobicContact CG2-CG2 3.47Å; T541-I608 VanDerWaalsContact CG2-CG2 3.47Å; V581-I608 HydrophobicContact CG2-CD1 4.17Å; L584-I608 HydrophobicContact CB-CD1 4.06Å; L584-I608 HydrophobicContact CB-CG2 4.39Å; L584-I608 HydrophobicContact CD1-CD1 4.32Å; L584-I608 HydrophobicContact CD1-CG2 3.95Å; I585-I608 HydrophobicContact CD1-CD1 4Å; I585-I608 HydrophobicContact CD1-CG1 4.44Å; I585-I608 HydrophobicContact CG1-CD1 4.02Å; I585-I608 HydrophobicContact CG1-CG1 4.26Å
609	Y	87.6	Confident	65.9	Low	100 Å²	100	53.9 Å²	53.9	39%	0.392	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.6	178	-69.7	-92.1	0	0	0	110.5	F501 T541 F542 C607	F501-Y609 HydrophobicContact CB-CD1 4.01Å; F501-Y609 HydrophobicContact CB-CE1 4.14Å; F501-Y609 HydrophobicContact CB-CG 4.38Å; F501-Y609 HydrophobicContact CD1-CE1 4.24Å; T541-Y609 CarbonylContact C-O 3.54Å; T541-Y609 VanDerWaalsContact CA-O 3.25Å; T541-Y609 WeakPolarHBondContact CA-O 3.36Å; F542-Y609 PolarHBondContact N-O 2.79Å; C607-Y609 HydrophobicContact CB-CE2 4.06Å
610	L	89.9	Confident	67.1	Low	0 Å²	0	53 Å²	53	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.6	-179.2	-65.3	178.9	0	0	0	110.9	L375 F496 S500 I502 F508 V539 T541 F542 L642	L375-L610 HydrophobicContact CD1-CD1 4.12Å; F496-L610 HydrophobicContact CB-CB 4.23Å; F496-L610 HydrophobicContact CD1-CB 4.38Å; F496-L610 HydrophobicContact CD1-CD1 4.22Å; F496-L610 HydrophobicContact CD2-CB 3.89Å; F496-L610 HydrophobicContact CD2-CD1 4.5Å; F496-L610 HydrophobicContact CE1-CD1 3.95Å; F496-L610 HydrophobicContact CE2-CB 4.36Å; F496-L610 HydrophobicContact CE2-CD1 4.28Å; F496-L610 HydrophobicContact CG-CB 3.91Å; F496-L610 HydrophobicContact CG-CD1 4.48Å; F496-L610 HydrophobicContact CZ-CD1 3.99Å; S500-L610 PolarHBondContact O-N 3.46Å; I502-L610 HydrophobicContact CD1-CD1 4.15Å; I502-L610 HydrophobicContact CD1-CD2 3.74Å; I502-L610 HydrophobicContact CD1-CG 4.15Å; I502-L610 HydrophobicContact CG1-CD1 4.4Å; I502-L610 HydrophobicContact CG1-CD2 4.21Å; I502-L610 HydrophobicContact CG1-CG 4.22Å; I502-L610 HydrophobicContact CG2-CD1 3.75Å; I502-L610 HydrophobicContact CG2-CG 4.34Å; F508-L610 HydrophobicContact CZ-CD1 4.33Å; V539-L610 HydrophobicContact CG1-CD2 3.73Å; T541-L610 HydrophobicContact CG2-CD2 4.44Å; F542-L610 WeakPolarHBondContact CE2-O 3.38Å; L610-L642 HydrophobicContact CD1-CD2 3.96Å
611	H	87.9	Confident	68.1	Low	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-57.4	169.2	177.8	43.3	0	0	0	110.9	G48 L495 F496 D540 F542	G48-H611 WeakPolarHBondContact CA-CE1 3.39Å; G48-H611 WeakPolarHBondContact CA-NE2 3.26Å; G48-H611 PolarHBondContact N-NE2 2.92Å; L495-H611 WeakPolarHBondContact CD1-O 3.45Å; F496-H611 PolarHBondContact N-O 2.87Å; D540-H611 HydrophobicContact CB-CB 4.1Å; D540-H611 WeakPolarHBondContact O-CB 3.29Å; D540-H611 PolarHBondContact O-N 3.37Å; F542-H611 HydrophobicContact CD2-CB 4.06Å; F542-H611 HydrophobicContact CE1-CB 4.24Å; F542-H611 HydrophobicContact CE2-CB 3.61Å; F542-H611 HydrophobicContact CZ-CB 3.72Å; F542-H611 AromaticContact CZ-CG 3.75Å; F542-H611 AromaticContact CZ-ND1 3.43Å; F542-H611 WeakPolarHBondContact CZ-ND1 3.29Å
612	R	91.8	Very high	69.3	Low	4 Å²	4	45 Å²	45	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.8	175.4	68.8	-176	72	172.1	1	112.6	D46 L436 E492 F494 L495 F538 D540	D46-R612 VanDerWaalsContact CA-NH2 3.32Å; D46-R612 PolarHBondContact O-NH2 2.75Å; D46-R612 IonicContact OD1-CZ 2.75Å; D46-R612 IonicContact OD1-NH1 2.87Å; D46-R612 PolarHBondContact OD1-NH1 3.09Å; D46-R612 VanDerWaalsContact OD1-NH1 3.1Å; D46-R612 IonicContact OD1-NH2 3.94Å; D46-R612 PolarHBondContact OD1-NH2 2.79Å; L436-R612 VanDerWaalsContact CD2-NH1 3.25Å; E492-R612 HydrophobicContact CG-CB 4.38Å; E492-R612 IonicContact OE2-CZ 2.66Å; E492-R612 IonicContact OE2-NE 2.65Å; E492-R612 PolarHBondContact OE2-NE 2.68Å; E492-R612 IonicContact OE2-NH1 2.71Å; F494-R612 CarbonylContact O-C 3.56Å; F494-R612 WeakPolarHBondContact O-CA 3.33Å; F494-R612 VanDerWaalsContact O-CB 3.29Å; F494-R612 WeakPolarHBondContact O-CB 3.43Å; L495-R612 HydrophobicContact CD1-CB 4.15Å; F538-R612 HydrophobicContact CE2-CG 4.04Å; D540-R612 HydrophobicContact CB-CG 3.71Å; D540-R612 PolarHBondContact N-O 3.26Å; D540-R612 PolarHBondContact O-N 2.83Å; D540-R612 WeakPolarHBondContact OD2-CD 3.47Å; D540-R612 WeakPolarHBondContact OD2-CG 3.47Å; D540-R612 IonicContact OD2-NE 3.72Å
613	I	94	Very high	70.2	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.6	162.7	60.9	166.4	0	0	0	110.3	L493 F494 F496 F508 F538 V539 I640	L493-I613 HydrophobicContact CB-CG1 4.47Å; L493-I613 PolarHBondContact N-O 3.32Å; F494-I613 HydrophobicContact CB-CG1 4.02Å; F494-I613 HydrophobicContact CD2-CD1 3.87Å; F494-I613 HydrophobicContact CD2-CG1 4.06Å; F494-I613 PolarHBondContact N-O 2.7Å; F494-I613 VanDerWaalsContact N-O 3.16Å; F494-I613 PolarHBondContact O-N 2.86Å; F496-I613 HydrophobicContact CE2-CB 4.28Å; F496-I613 HydrophobicContact CE2-CG1 3.86Å; F496-I613 HydrophobicContact CE2-CG2 3.88Å; F496-I613 HydrophobicContact CZ-CD1 4.33Å; F496-I613 HydrophobicContact CZ-CG1 4.09Å; F496-I613 HydrophobicContact CZ-CG2 4.31Å; F508-I613 HydrophobicContact CD1-CD1 4.13Å; F508-I613 HydrophobicContact CE1-CD1 3.83Å; F508-I613 HydrophobicContact CE1-CG2 3.82Å; F508-I613 HydrophobicContact CE2-CG2 4.22Å; F508-I613 HydrophobicContact CZ-CG2 3.57Å; F538-I613 WeakPolarHBondContact O-CA 3.16Å; V539-I613 HydrophobicContact CB-CG2 4.39Å; V539-I613 HydrophobicContact CG1-CG2 4.08Å; V539-I613 HydrophobicContact CG2-CG2 4Å; I613-I640 HydrophobicContact CD1-CG2 4.34Å
614	G	91.8	Very high	70.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-176.4	175.3	0	0	0	0	0	113.2	M491 L537 F538	M491-G614 CarbonylContact O-C 3.52Å; M491-G614 WeakPolarHBondContact O-CA 3.5Å; L537-G614 WeakPolarHBondContact CA-O 3.37Å; L537-G614 WeakPolarHBondContact CD1-O 3.28Å; F538-G614 WeakPolarHBondContact CD1-O 3.19Å; F538-G614 PolarHBondContact N-O 2.79Å; F538-G614 PolarHBondContact O-N 2.97Å
615	L	87.8	Confident	71.1	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.9	-179.7	-62.6	176.5	0	0	0	110.2	M491 L493 L510 L535 K536 L537 F538 W617 F635 L637	M491-L615 HydrophobicContact CE-CB 4.19Å; M491-L615 HydrophobicContact CE-CD1 3.89Å; M491-L615 HydrophobicContact CE-CG 4.32Å; M491-L615 PolarHBondContact N-O 3.48Å; M491-L615 PolarHBondContact O-N 2.95Å; L493-L615 HydrophobicContact CD1-CD1 4.08Å; L493-L615 HydrophobicContact CD1-CD2 4.2Å; L493-L615 HydrophobicContact CD1-CG 3.75Å; L493-L615 HydrophobicContact CD2-CD1 4.35Å; L493-L615 HydrophobicContact CG-CD1 4.49Å; L493-L615 HydrophobicContact CG-CG 4.2Å; L510-L615 HydrophobicContact CD2-CD2 3.8Å; L535-L615 HydrophobicContact CD1-CB 3.87Å; L535-L615 HydrophobicContact CD1-CD1 4.24Å; L535-L615 HydrophobicContact CD1-CD2 4.42Å; L535-L615 HydrophobicContact CD1-CG 4.39Å; L535-L615 HydrophobicContact CD2-CD1 4.18Å; L535-L615 HydrophobicContact CD2-CD2 4.06Å; L535-L615 HydrophobicContact CG-CB 4.5Å; L535-L615 HydrophobicContact CG-CD2 4.17Å; K536-L615 WeakPolarHBondContact O-CA 3.35Å; L537-L615 HydrophobicContact CD1-CD2 4.2Å; F538-L615 WeakPolarHBondContact CE1-O 3.48Å; L615-W617 HydrophobicContact CB-CE3 4.23Å; L615-W617 HydrophobicContact CB-CZ3 3.97Å; L615-F635 HydrophobicContact CD1-CE2 3.75Å; L615-F635 HydrophobicContact CD1-CZ 4.15Å; L615-L637 HydrophobicContact CD1-CD1 3.74Å; L615-L637 HydrophobicContact CD1-CD2 4.26Å
616	T	83.1	Confident	70.7	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.1	168.5	-166.8	0	0	0	0	110.7	S489 L535 K536 F558	S489-T616 VanDerWaalsContact O-CA 3.26Å; S489-T616 WeakPolarHBondContact O-CA 3.38Å; S489-T616 PolarHBondContact O-OG1 3.06Å; L535-T616 CarbonylContact C-O 3.59Å; L535-T616 VanDerWaalsContact CA-O 3.25Å; L535-T616 WeakPolarHBondContact CA-O 3.47Å; K536-T616 HydrophobicContact CB-CG2 3.66Å; K536-T616 HydrophobicContact CG-CG2 4.44Å; K536-T616 PolarHBondContact N-O 3.13Å; K536-T616 PolarHBondContact O-N 2.61Å; F558-T616 HydrophobicContact CD1-CG2 3.56Å; F558-T616 HydrophobicContact CE1-CG2 3.61Å
617	W	75.3	Confident	69.7	Low	2 Å²	2	45.5 Å²	45.5	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.2	174	57.9	94.2	0	0	0	112.2	F450 F472 D488 S489 M491 G534 L535 L615 I622 F635	F450-W617 HydrophobicContact CD1-CZ2 4Å; F450-W617 HydrophobicContact CD2-CH2 4.01Å; F450-W617 AromaticContact CD2-CZ2 3.88Å; F450-W617 HydrophobicContact CD2-CZ2 3.88Å; F450-W617 AromaticContact CE1-CZ2 3.5Å; F450-W617 HydrophobicContact CE1-CZ2 3.5Å; F450-W617 AromaticContact CE2-CH2 3.72Å; F450-W617 HydrophobicContact CE2-CH2 3.72Å; F450-W617 AromaticContact CE2-CZ2 3.34Å; F450-W617 HydrophobicContact CE2-CZ2 3.34Å; F450-W617 HydrophobicContact CG-CZ2 4.19Å; F450-W617 AromaticContact CZ-CE2 3.85Å; F450-W617 HydrophobicContact CZ-CH2 4.03Å; F450-W617 AromaticContact CZ-CZ2 3.16Å; F450-W617 HydrophobicContact CZ-CZ2 3.16Å; F472-W617 AromaticContact CE1-CZ2 4Å; F472-W617 HydrophobicContact CE1-CZ2 4Å; F472-W617 AromaticContact CE1-NE1 3.9Å; D488-W617 WeakPolarHBondContact CA-O 3.46Å; S489-W617 PolarHBondContact N-O 3.27Å; S489-W617 VanDerWaalsContact N-O 3.17Å; S489-W617 PolarHBondContact O-N 3.48Å; M491-W617 HydrophobicContact CB-CH2 3.86Å; M491-W617 HydrophobicContact CB-CZ3 3.82Å; M491-W617 HydrophobicContact CE-CZ3 4.4Å; M491-W617 HydrophobicContact SD-CH2 4.3Å; G534-W617 WeakPolarHBondContact O-CA 3.37Å; L535-W617 HydrophobicContact CD1-CB 4.09Å; L535-W617 HydrophobicContact CD1-CD2 4.27Å; L535-W617 HydrophobicContact CD1-CE3 3.66Å; L535-W617 HydrophobicContact CD1-CZ3 4.42Å; L615-W617 HydrophobicContact CB-CE3 4.23Å; L615-W617 HydrophobicContact CB-CZ3 3.97Å; W617-I622 HydrophobicContact CB-CD1 4Å; W617-I622 HydrophobicContact CG-CD1 3.86Å; W617-F635 HydrophobicContact CE3-CZ 4.45Å; W617-F635 HydrophobicContact CH2-CZ 4.27Å; W617-F635 HydrophobicContact CZ2-CE1 4.49Å; W617-F635 HydrophobicContact CZ3-CZ 4.17Å
618	S	65.3	Low	68	Low	24 Å²	24	46.1 Å²	46.1	17%	0.168	23%	0.231	C	C	.	.			trans	-97	132.2	169.7	-179.7	0	0	0	0	110.4	N620 S621 I622	S618-N620 PolarHBondContact O-N 3.2Å; S618-N620 PolarHBondContact OG-N 3.16Å; S618-S621 PolarHBondContact O-N 3.06Å; S618-I622 PolarHBondContact O-N 3.21Å
619	W	59.9	Low	66	Low	51 Å²	51	53.5 Å²	53.5	19%	0.193	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-32.1	173.8	-71.8	106	0	0	0	112.5	F450 F472 S621 I622 L623	F450-W619 AromaticContact CE1-CH2 3.93Å; F450-W619 HydrophobicContact CE1-CH2 3.93Å; F450-W619 AromaticContact CE1-CZ2 3.76Å; F450-W619 HydrophobicContact CE1-CZ2 3.76Å; F450-W619 HydrophobicContact CZ-CZ2 4.04Å; F472-W619 HydrophobicContact CB-CH2 3.88Å; F472-W619 HydrophobicContact CB-CZ3 4.18Å; F472-W619 AromaticContact CD1-CH2 3.85Å; F472-W619 HydrophobicContact CD1-CH2 3.85Å; F472-W619 HydrophobicContact CD1-CZ3 4.3Å; F472-W619 HydrophobicContact CD2-CH2 4.17Å; F472-W619 AromaticContact CD2-CZ3 3.84Å; F472-W619 HydrophobicContact CD2-CZ3 3.84Å; F472-W619 HydrophobicContact CE1-CH2 4.42Å; F472-W619 HydrophobicContact CE2-CZ3 4.24Å; F472-W619 AromaticContact CG-CH2 3.71Å; F472-W619 HydrophobicContact CG-CH2 3.71Å; F472-W619 AromaticContact CG-CZ3 3.86Å; F472-W619 HydrophobicContact CG-CZ3 3.86Å; W619-S621 VanDerWaalsContact C-N 3.35Å; W619-S621 PolarHBondContact O-N 3.2Å; W619-I622 PolarHBondContact O-N 3.39Å; W619-L623 HydrophobicContact CE3-CD1 4.35Å; W619-L623 WeakPolarHBondContact O-CB 3.45Å; W619-L623 PolarHBondContact O-N 3.17Å
620	N	52.2	Low	64.1	Low	58 Å²	58	51.5 Å²	51.5	31%	0.31	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-41.3	179.4	-69.2	-17.6	0	0	0	111.2	S618 I622 H624	S618-N620 PolarHBondContact O-N 3.2Å; S618-N620 PolarHBondContact OG-N 3.16Å; N620-I622 VanDerWaalsContact C-N 3.3Å; N620-I622 PolarHBondContact O-N 3.18Å; N620-H624 VanDerWaalsContact O-CB 3.32Å; N620-H624 WeakPolarHBondContact O-CB 3.29Å; N620-H624 PolarHBondContact O-CD2 2.97Å; N620-H624 PolarHBondContact O-N 3.34Å; N620-H624 VanDerWaalsContact O-N 3.17Å
621	S	53.3	Low	62.4	Low	52 Å²	52	57.3 Å²	57.3	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-67.5	-31.1	178	-55.2	0	0	0	0	112.9	S618 W619	S618-S621 PolarHBondContact O-N 3.06Å; W619-S621 VanDerWaalsContact C-N 3.35Å; W619-S621 PolarHBondContact O-N 3.2Å
622	I	51.5	Low	61	Low	26 Å²	26	60.4 Å²	60.4	13%	0.133	30%	0.303	C	S	.	.	H	α-helix	trans	-81.9	-36.5	-177.5	-65	176.7	0	0	0	111.7	F472 W617 S618 W619 N620 T625 F632	F472-I622 HydrophobicContact CE2-CD1 4.02Å; F472-I622 HydrophobicContact CE2-CG2 3.92Å; F472-I622 HydrophobicContact CZ-CD1 3.78Å; W617-I622 HydrophobicContact CB-CD1 4Å; W617-I622 HydrophobicContact CG-CD1 3.86Å; S618-I622 PolarHBondContact O-N 3.21Å; W619-I622 PolarHBondContact O-N 3.39Å; N620-I622 VanDerWaalsContact C-N 3.3Å; N620-I622 PolarHBondContact O-N 3.18Å; I622-T625 PolarHBondContact O-OG1 3.36Å; I622-F632 HydrophobicContact CG2-CD1 4.05Å; I622-F632 HydrophobicContact CG2-CE1 4.25Å
623	L	47.4	Very low	59.8	Low	73 Å²	73	60.9 Å²	60.9	38%	0.382	31%	0.306	S	S	.	.	H	α-helix	trans	-96.7	-20.8	-171.3	-67.2	171.7	0	0	0	114.6	V479 F481 W619 T625	V479-L623 HydrophobicContact CB-CD1 4.31Å; V479-L623 HydrophobicContact CG2-CD1 3.44Å; V479-L623 VanDerWaalsContact CG2-CD1 3.44Å; F481-L623 HydrophobicContact CZ-CB 4.46Å; W619-L623 HydrophobicContact CE3-CD1 4.35Å; W619-L623 WeakPolarHBondContact O-CB 3.45Å; W619-L623 PolarHBondContact O-N 3.17Å; L623-T625 PolarHBondContact O-N 2.83Å; L623-T625 VanDerWaalsContact O-N 3.08Å
624	H	44.3	Very low	59	Low	132 Å²	132	60.9 Å²	60.9	61%	0.611	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-5.7	-178.4	-104	-67.5	0	0	0	114.9	F481 N620	F481-H624 AromaticContact CD1-NE2 3.67Å; F481-H624 AromaticContact CE1-CD2 3.69Å; F481-H624 AromaticContact CE1-NE2 3.57Å; N620-H624 VanDerWaalsContact O-CB 3.32Å; N620-H624 WeakPolarHBondContact O-CB 3.29Å; N620-H624 PolarHBondContact O-CD2 2.97Å; N620-H624 PolarHBondContact O-N 3.34Å; N620-H624 VanDerWaalsContact O-N 3.17Å
625	T	45.4	Very low	58.4	Low	55 Å²	55	61.2 Å²	61.2	34%	0.337	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.4	-167.2	30.2	0	0	0	0	116	H531 I622 L623	H531-T625 HydrophobicContact CB-CG2 4.42Å; H531-T625 WeakPolarHBondContact ND1-CG2 3.35Å; I622-T625 PolarHBondContact O-OG1 3.36Å; L623-T625 PolarHBondContact O-N 2.83Å; L623-T625 VanDerWaalsContact O-N 3.08Å
626	Y	44.5	Very low	58.1	Low	91 Å²	91	61.4 Å²	61.4	36%	0.357	31%	0.308	S	S	.	.			trans	-146.9	118.4	-179.4	-85.7	-88	0	0	0	116.4	L529 H531 S628	L529-Y626 HydrophobicContact CD2-CE2 3.98Å; L529-Y626 WeakPolarHBondContact CD2-OH 3.39Å; H531-Y626 AromaticContact NE2-CE2 3.43Å; H531-Y626 WeakPolarHBondContact NE2-CE2 3.44Å; Y626-S628 VanDerWaalsContact CD1-O 3.31Å; Y626-S628 WeakPolarHBondContact CD1-O 3.19Å
627	E	43.6	Very low	58.2	Low	210 Å²	210	61.2 Å²	61.2	98%	0.981	31%	0.307	S	S	*	.	S	Bend	trans	-78.2	0.9	157.5	-76	-173.4	152.3	0	0	112.7
628	S	44	Very low	58.5	Low	71 Å²	71	61.2 Å²	61.2	50%	0.497	31%	0.307	S	S	.	.	S	Bend	trans	-142.4	106.4	-179.6	58.5	0	0	0	0	115.1	Y626 M630	Y626-S628 VanDerWaalsContact CD1-O 3.31Å; Y626-S628 WeakPolarHBondContact CD1-O 3.19Å; S628-M630 PolarHBondContact O-N 3.25Å
629	I	45.3	Very low	59.5	Low	170 Å²	170	60.1 Å²	60.1	87%	0.872	30%	0.299	S	S	*	.	S	Bend	trans	50.6	31.9	142.8	-39.7	167.3	0	0	0	118.3
630	M	48.1	Very low	61	Low	58 Å²	58	58 Å²	58	29%	0.286	29%	0.292	S	S	.	.			trans	-119.6	107.8	159.5	-79.8	-152.9	176.1	0	0	111.3	I521 L523 S628 F632	I521-M630 HydrophobicContact CB-CE 3.77Å; I521-M630 HydrophobicContact CD1-CE 3.75Å; I521-M630 HydrophobicContact CG1-CE 4.35Å; I521-M630 HydrophobicContact CG2-CE 3.37Å; L523-M630 HydrophobicContact CD1-CE 4.42Å; L523-M630 HydrophobicContact CD2-CE 3.49Å; L523-M630 VanDerWaalsContact CD2-CE 3.49Å; L523-M630 HydrophobicContact CD2-SD 4.15Å; L523-M630 HydrophobicContact CG-CE 3.89Å; S628-M630 PolarHBondContact O-N 3.25Å; M630-F632 PolarHBondContact O-N 3.27Å
631	K	54.6	Low	62.8	Low	122 Å²	122	56.1 Å²	56.1	53%	0.53	28%	0.281	S	S	.	.			trans	-77.9	97.8	170.1	-65.7	-167.1	179	-165.9	0	108.7	D476 N633	D476-K631 IonicContact OD1-NZ 2.95Å; D476-K631 PolarHBondContact OD1-NZ 3.49Å; K631-N633 PolarHBondContact O-OD1 3.3Å
632	F	58.3	Low	64.7	Low	66 Å²	66	53.7 Å²	53.7	29%	0.289	26%	0.264	S	S	.	.			trans	-70.6	127.5	167.4	-175.6	-88.6	0	0	0	109	F472 P514 I622 M630 G634 F635	F472-F632 AromaticContact CD2-CD1 3.99Å; F472-F632 HydrophobicContact CD2-CD1 3.99Å; F472-F632 HydrophobicContact CD2-CE1 4.14Å; F472-F632 AromaticContact CE2-CD1 3.56Å; F472-F632 HydrophobicContact CE2-CD1 3.56Å; F472-F632 AromaticContact CE2-CE1 3.34Å; F472-F632 HydrophobicContact CE2-CE1 3.34Å; F472-F632 AromaticContact CZ-CE1 3.98Å; F472-F632 HydrophobicContact CZ-CE1 3.98Å; P514-F632 VanDerWaalsContact CA-CE2 3.41Å; P514-F632 HydrophobicContact CB-CD2 4.01Å; P514-F632 HydrophobicContact CB-CE2 3.4Å; P514-F632 HydrophobicContact CB-CZ 4.4Å; P514-F632 HydrophobicContact CG-CE2 3.93Å; I622-F632 HydrophobicContact CG2-CD1 4.05Å; I622-F632 HydrophobicContact CG2-CE1 4.25Å; M630-F632 PolarHBondContact O-N 3.27Å; F632-G634 WeakPolarHBondContact CE1-O 2.96Å; F632-G634 WeakPolarHBondContact CE2-O 3.38Å; F632-G634 WeakPolarHBondContact CZ-O 3.49Å; F632-F635 HydrophobicContact CZ-CB 4.31Å
633	N	67.1	Low	66.6	Low	14 Å²	14	55 Å²	55	8%	0.075	27%	0.267	C	S	.	.			trans	-115.7	4.7	-170.8	-60.2	-28	0	0	0	112.8	R471 F472 Y515 L517 K631	R471-N633 CarbonylContact C-O 3.53Å; R471-N633 WeakPolarHBondContact CA-O 3.47Å; F472-N633 PolarHBondContact N-O 2.92Å; Y515-N633 HydrophobicContact CD1-CB 4.45Å; Y515-N633 PolarHBondContact O-N 3.16Å; L517-N633 WeakPolarHBondContact CB-ND2 3.38Å; L517-N633 HydrophobicContact CD1-CB 4.24Å; L517-N633 VanDerWaalsContact CD1-ND2 3.26Å; L517-N633 WeakPolarHBondContact CD1-ND2 3.48Å; L517-N633 HydrophobicContact CG-CB 4.37Å; L517-N633 VanDerWaalsContact CG-ND2 3.3Å; L517-N633 WeakPolarHBondContact CG-ND2 3.43Å; L517-N633 PolarHBondContact N-ND2 3.22Å; K631-N633 PolarHBondContact O-OD1 3.3Å
634	G	76.7	Confident	68.6	Low	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.2	-166.1	-177.1	0	0	0	0	0	112.9	I470 Y515 F632	I470-G634 CarbonylContact O-C 3.59Å; I470-G634 WeakPolarHBondContact O-CA 3.12Å; Y515-G634 WeakPolarHBondContact CA-O 3.26Å; Y515-G634 WeakPolarHBondContact CB-O 3.18Å; Y515-G634 PolarHBondContact N-O 2.89Å; Y515-G634 PolarHBondContact O-N 2.83Å; F632-G634 WeakPolarHBondContact CE1-O 2.96Å; F632-G634 WeakPolarHBondContact CE2-O 3.38Å; F632-G634 WeakPolarHBondContact CZ-O 3.49Å
635	F	78.7	Confident	70.7	Confident	7 Å²	7	48.3 Å²	48.3	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.2	177.7	50.9	-88.2	0	0	0	111.8	C469 I470 F472 I512 T513 L535 L615 W617 F632 L637	C469-F635 WeakPolarHBondContact CA-O 3.25Å; I470-F635 HydrophobicContact CB-CD2 4.18Å; I470-F635 HydrophobicContact CB-CE1 4.2Å; I470-F635 HydrophobicContact CB-CE2 3.88Å; I470-F635 HydrophobicContact CB-CZ 3.87Å; I470-F635 HydrophobicContact CD1-CD2 3.9Å; I470-F635 HydrophobicContact CD1-CE2 3.16Å; I470-F635 HydrophobicContact CD1-CZ 3.66Å; I470-F635 HydrophobicContact CG1-CE2 4.11Å; I470-F635 HydrophobicContact CG1-CZ 4.36Å; I470-F635 HydrophobicContact CG2-CD1 4.5Å; I470-F635 HydrophobicContact CG2-CE1 3.82Å; I470-F635 HydrophobicContact CG2-CE2 4.19Å; I470-F635 HydrophobicContact CG2-CZ 3.64Å; I470-F635 PolarHBondContact N-O 2.84Å; I470-F635 PolarHBondContact O-N 3.43Å; F472-F635 HydrophobicContact CE1-CD1 4.12Å; F472-F635 AromaticContact CE1-CE1 3.79Å; F472-F635 HydrophobicContact CE1-CE1 3.79Å; F472-F635 AromaticContact CZ-CD1 3.81Å; F472-F635 HydrophobicContact CZ-CD1 3.81Å; F472-F635 AromaticContact CZ-CE1 3.81Å; F472-F635 HydrophobicContact CZ-CE1 3.81Å; I512-F635 HydrophobicContact CD1-CB 3.87Å; I512-F635 HydrophobicContact CD1-CD2 3.51Å; I512-F635 HydrophobicContact CD1-CE2 4.16Å; I512-F635 HydrophobicContact CD1-CG 3.81Å; I512-F635 HydrophobicContact CG1-CB 4Å; I512-F635 HydrophobicContact CG1-CD2 4.12Å; I512-F635 HydrophobicContact CG1-CG 4.39Å; T513-F635 CarbonylContact O-C 3.54Å; T513-F635 VanDerWaalsContact O-CA 3.28Å; T513-F635 WeakPolarHBondContact O-CA 3.42Å; T513-F635 WeakPolarHBondContact O-CB 3.44Å; L535-F635 HydrophobicContact CD1-CE1 4.39Å; L535-F635 HydrophobicContact CD1-CZ 4.04Å; L615-F635 HydrophobicContact CD1-CE2 3.75Å; L615-F635 HydrophobicContact CD1-CZ 4.15Å; W617-F635 HydrophobicContact CE3-CZ 4.45Å; W617-F635 HydrophobicContact CH2-CZ 4.27Å; W617-F635 HydrophobicContact CZ2-CE1 4.49Å; W617-F635 HydrophobicContact CZ3-CZ 4.17Å; F632-F635 HydrophobicContact CZ-CB 4.31Å; F635-L637 HydrophobicContact CD2-CD2 3.9Å; F635-L637 HydrophobicContact CD2-CG 4.15Å; F635-L637 HydrophobicContact CE2-CD1 4.41Å; F635-L637 HydrophobicContact CE2-CD2 4.08Å; F635-L637 HydrophobicContact CE2-CG 4.21Å
636	L	81.9	Confident	72.6	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.2	171.5	-46.2	177.6	0	0	0	109.8	V455 L468 C469 I512 T513 Y515 W574	V455-L636 HydrophobicContact CG2-CD2 4.17Å; L468-L636 CarbonylContact O-C 3.47Å; L468-L636 VanDerWaalsContact O-CA 3.28Å; L468-L636 WeakPolarHBondContact O-CA 3.49Å; C469-L636 HydrophobicContact CB-CD2 3.42Å; C469-L636 VanDerWaalsContact CB-CD2 3.42Å; C469-L636 VanDerWaalsContact SG-CD2 3.6Å; I512-L636 CarbonylContact C-O 3.58Å; I512-L636 VanDerWaalsContact CA-O 3.25Å; I512-L636 WeakPolarHBondContact CA-O 3.49Å; I512-L636 WeakPolarHBondContact CG1-O 3.39Å; T513-L636 HydrophobicContact CG2-CB 3.62Å; T513-L636 HydrophobicContact CG2-CD1 3.85Å; T513-L636 HydrophobicContact CG2-CG 3.93Å; T513-L636 PolarHBondContact N-O 3.14Å; T513-L636 PolarHBondContact O-N 2.85Å; Y515-L636 HydrophobicContact CD2-CD1 4.32Å; Y515-L636 HydrophobicContact CD2-CD2 3.66Å; Y515-L636 HydrophobicContact CD2-CG 4.13Å; Y515-L636 HydrophobicContact CE2-CD2 4.41Å; Y515-L636 HydrophobicContact CG-CD2 3.97Å; Y515-L636 HydrophobicContact CG-CG 4.46Å; W574-L636 HydrophobicContact CH2-CB 4Å
637	L	85	Confident	74.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.2	169.2	-58.8	-179	0	0	0	109.2	C467 L468 I470 L493 L510 A511 I512 L615 F635 I640	C467-L637 WeakPolarHBondContact CB-O 3.36Å; L468-L637 HydrophobicContact CB-CB 4.36Å; L468-L637 HydrophobicContact CD2-CD1 4.15Å; L468-L637 PolarHBondContact N-O 2.79Å; L468-L637 VanDerWaalsContact N-O 3.12Å; L468-L637 PolarHBondContact O-N 3.12Å; I470-L637 HydrophobicContact CD1-CD1 3.68Å; I470-L637 HydrophobicContact CD1-CG 4.1Å; L493-L637 HydrophobicContact CD2-CD1 4Å; L510-L637 HydrophobicContact CD1-CD1 4.37Å; L510-L637 HydrophobicContact CD1-CD2 3.79Å; L510-L637 HydrophobicContact CD1-CG 4.49Å; L510-L637 HydrophobicContact CD2-CD2 4.08Å; L510-L637 HydrophobicContact CG-CD2 4.09Å; A511-L637 WeakPolarHBondContact O-CA 3.06Å; I512-L637 HydrophobicContact CB-CD2 3.93Å; I512-L637 HydrophobicContact CD1-CD2 3.87Å; I512-L637 HydrophobicContact CG1-CD2 3.87Å; L615-L637 HydrophobicContact CD1-CD1 3.74Å; L615-L637 HydrophobicContact CD1-CD2 4.26Å; F635-L637 HydrophobicContact CD2-CD2 3.9Å; F635-L637 HydrophobicContact CD2-CG 4.15Å; F635-L637 HydrophobicContact CE2-CD1 4.41Å; F635-L637 HydrophobicContact CE2-CD2 4.08Å; F635-L637 HydrophobicContact CE2-CG 4.21Å; L637-I640 HydrophobicContact CD1-CD1 4.41Å
638	G	81.6	Confident	76	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-15.5	-175.2	0	0	0	0	0	114.2	T397 A511 W574	T397-G638 VanDerWaalsContact CA-O 3.28Å; T397-G638 WeakPolarHBondContact CA-O 3.49Å; T397-G638 WeakPolarHBondContact CB-O 3.21Å; T397-G638 WeakPolarHBondContact CG2-O 3.35Å; A511-G638 PolarHBondContact O-N 2.96Å; W574-G638 VanDerWaalsContact CH2-CA 3.44Å
639	L	87.1	Confident	77.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	133.6	177.9	178.6	66.7	0	0	0	109.1	C395 T396 T397 Y460 K509 L510 A511 E641	C395-L639 WeakPolarHBondContact SG-CD1 3.18Å; T396-L639 CarbonylContact O-C 3.56Å; T396-L639 WeakPolarHBondContact O-CA 3.35Å; T397-L639 HydrophobicContact CG2-CD1 4.05Å; Y460-L639 HydrophobicContact CD1-CB 4.21Å; Y460-L639 HydrophobicContact CD1-CD2 4.3Å; Y460-L639 HydrophobicContact CE1-CD2 3.99Å; K509-L639 HydrophobicContact CD-CD2 3.9Å; K509-L639 HydrophobicContact CG-CD2 4.19Å; L510-L639 CarbonylContact C-O 3.55Å; L510-L639 VanDerWaalsContact CA-O 3.3Å; L510-L639 WeakPolarHBondContact CA-O 3.4Å; L510-L639 WeakPolarHBondContact CD1-O 3.41Å; A511-L639 HydrophobicContact CB-CB 3.59Å; A511-L639 PolarHBondContact N-O 3.13Å; L639-E641 HydrophobicContact CD1-CB 4.23Å; L639-E641 HydrophobicContact CG-CB 4.26Å
640	I	89.7	Confident	78.7	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118	165	-53	164	0	0	0	106.3	F394 C395 T396 P431 L493 F494 K509 L510 I613 L637	F394-I640 HydrophobicContact CE1-CG2 4.48Å; C395-I640 CarbonylContact C-O 3.5Å; C395-I640 WeakPolarHBondContact CA-O 3.25Å; T396-I640 HydrophobicContact CG2-CB 4.01Å; T396-I640 HydrophobicContact CG2-CD1 4.37Å; T396-I640 PolarHBondContact N-O 3.45Å; T396-I640 PolarHBondContact O-N 3.35Å; P431-I640 HydrophobicContact CG-CD1 3.71Å; L493-I640 HydrophobicContact CD1-CD1 4.15Å; F494-I640 HydrophobicContact CE2-CB 4.31Å; F494-I640 HydrophobicContact CE2-CD1 3.7Å; F494-I640 HydrophobicContact CE2-CG2 3.92Å; F494-I640 HydrophobicContact CZ-CD1 4.21Å; K509-I640 WeakPolarHBondContact O-CA 3.3Å; L510-I640 HydrophobicContact CD1-CG1 3.64Å; I613-I640 HydrophobicContact CD1-CG2 4.34Å; L637-I640 HydrophobicContact CD1-CD1 4.41Å
641	E	91.2	Very high	79.6	Confident	20 Å²	20	35.9 Å²	35.9	9%	0.093	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.9	-173.1	177	-177.6	93.5	0	0	110.1	I392 F394 C395 F508 K509 L639 R643	I392-E641 HydrophobicContact CG2-CG 4.26Å; F394-E641 CarbonylContact O-C 3.59Å; F394-E641 WeakPolarHBondContact O-CA 3.09Å; C395-E641 HydrophobicContact CB-CB 4.4Å; C395-E641 HydrophobicContact CB-CG 4.23Å; F508-E641 CarbonylContact C-O 3.46Å; F508-E641 VanDerWaalsContact CA-O 3.29Å; F508-E641 WeakPolarHBondContact CA-O 3.05Å; K509-E641 HydrophobicContact CB-CB 4.2Å; K509-E641 WeakPolarHBondContact CD-OE1 3.25Å; K509-E641 PolarHBondContact N-O 2.66Å; K509-E641 PolarHBondContact O-N 2.65Å; L639-E641 HydrophobicContact CD1-CB 4.23Å; L639-E641 HydrophobicContact CG-CB 4.26Å; E641-R643 HydrophobicContact CG-CG 3.76Å; E641-R643 WeakPolarHBondContact OE1-CD 3.21Å
642	L	92.4	Very high	80.2	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121	173.4	169.7	58.7	0	0	0	107.9	L375 L393 F394 F496 I502 A506 F508 L610	L375-L642 HydrophobicContact CD1-CD2 3.69Å; L393-L642 HydrophobicContact CB-CD2 4.49Å; L393-L642 HydrophobicContact CB-CG 4.32Å; L393-L642 PolarHBondContact N-O 2.81Å; F394-L642 HydrophobicContact CB-CB 4.36Å; F394-L642 PolarHBondContact N-O 3.35Å; F394-L642 VanDerWaalsContact N-O 3.17Å; F394-L642 PolarHBondContact O-N 2.71Å; F496-L642 HydrophobicContact CE1-CD2 4.42Å; I502-L642 HydrophobicContact CG2-CD1 4.2Å; I502-L642 HydrophobicContact CG2-CD2 3.99Å; A506-L642 HydrophobicContact CB-CD1 4.29Å; F508-L642 HydrophobicContact CD1-CB 4.04Å; F508-L642 HydrophobicContact CD1-CD1 3.98Å; F508-L642 HydrophobicContact CE1-CB 3.9Å; F508-L642 HydrophobicContact CE1-CD1 3.62Å; F508-L642 HydrophobicContact CE1-CD2 4.06Å; F508-L642 HydrophobicContact CE1-CG 4.05Å; F508-L642 HydrophobicContact CE2-CD1 4.26Å; F508-L642 HydrophobicContact CG-CD1 4.45Å; F508-L642 HydrophobicContact CZ-CD1 3.77Å; F508-L642 HydrophobicContact CZ-CD2 4.36Å; L610-L642 HydrophobicContact CD1-CD2 3.96Å
643	R	91.2	Very high	80.7	Confident	52 Å²	52	34.9 Å²	34.9	20%	0.196	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.9	178.9	-54.5	-174.1	49.4	-116.1	15.9	110.3	D391 I392 A506 Q507 E641	D391-R643 CarbonylContact O-C 3.51Å; D391-R643 WeakPolarHBondContact O-CA 3.47Å; D391-R643 IonicContact OD1-CZ 2.77Å; D391-R643 IonicContact OD1-NE 3.97Å; D391-R643 PolarHBondContact OD1-NE 2.83Å; D391-R643 VanDerWaalsContact OD1-NE 3.07Å; D391-R643 IonicContact OD1-NH2 3.8Å; D391-R643 PolarHBondContact OD1-NH2 3.2Å; D391-R643 IonicContact OD2-CZ 3.09Å; D391-R643 VanDerWaalsContact OD2-CZ 3.22Å; D391-R643 IonicContact OD2-NE 3.94Å; D391-R643 IonicContact OD2-NH1 3.22Å; D391-R643 IonicContact OD2-NH2 3.71Å; D391-R643 PolarHBondContact OD2-NH2 3.38Å; I392-R643 HydrophobicContact CB-CG 4.4Å; I392-R643 HydrophobicContact CG1-CG 3.81Å; A506-R643 CarbonylContact C-O 3.5Å; A506-R643 WeakPolarHBondContact CA-O 3.43Å; A506-R643 VanDerWaalsContact CB-O 3.25Å; A506-R643 WeakPolarHBondContact CB-O 3.42Å; Q507-R643 PolarHBondContact N-O 3.17Å; Q507-R643 PolarHBondContact O-N 2.65Å; E641-R643 HydrophobicContact CG-CG 3.76Å; E641-R643 WeakPolarHBondContact OE1-CD 3.21Å
644	D	90.6	Very high	80.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.			trans	-136.4	91.9	174.4	-166.8	-26.3	0	0	0	110.1	D391 L393 S503 A506 Q646 W647	D391-D644 WeakPolarHBondContact CB-O 3.44Å; D391-D644 PolarHBondContact O-N 3.12Å; L393-D644 HydrophobicContact CD1-CB 3.57Å; L393-D644 HydrophobicContact CD2-CB 4.41Å; L393-D644 HydrophobicContact CG-CB 3.89Å; S503-D644 WeakPolarHBondContact CB-OD1 3.44Å; S503-D644 WeakPolarHBondContact CB-OD2 3.46Å; S503-D644 PolarHBondContact N-OD2 2.73Å; S503-D644 PolarHBondContact OG-OD1 3.07Å; S503-D644 PolarHBondContact OG-OD2 3.2Å; A506-D644 HydrophobicContact CB-CB 4.12Å; D644-Q646 PolarHBondContact O-N 2.61Å; D644-Q646 VanDerWaalsContact O-N 3.16Å; D644-Q646 WeakPolarHBondContact OD1-CB 3.38Å; D644-Q646 PolarHBondContact OD1-N 2.93Å; D644-W647 CarbonylContact O-C 3.51Å; D644-W647 PolarHBondContact O-N 2.96Å; D644-W647 PolarHBondContact OD1-N 3.19Å; D644-W647 VanDerWaalsContact OD1-N 3.13Å
645	P	87.5	Confident	80.4	Confident	65 Å²	65	46.8 Å²	46.8	42%	0.422	22%	0.224	S	C	.	.	S	Bend	trans	-61.8	-20.8	179.5	-23.6	34.6	0	0	0	114	K505	K505-P645 WeakPolarHBondContact O-CD 3.12Å
646	Q	85.8	Confident	80.5	Confident	65 Å²	65	48.8 Å²	48.8	30%	0.304	23%	0.234	S	C	.	.	S	Bend	trans	-83.3	-33.7	179.7	-176.8	170.9	0.1	0	0	111.9	S503 D504 K505 S605 D644 P648	S503-Q646 WeakPolarHBondContact OG-CB 3.38Å; S503-Q646 PolarHBondContact OG-OE1 2.98Å; D504-Q646 PolarHBondContact OD1-OE1 2.82Å; K505-Q646 HydrophobicContact CB-CB 4.17Å; K505-Q646 HydrophobicContact CG-CB 4.24Å; S605-Q646 PolarHBondContact OG-NE2 2.66Å; D644-Q646 PolarHBondContact O-N 2.61Å; D644-Q646 VanDerWaalsContact O-N 3.16Å; D644-Q646 WeakPolarHBondContact OD1-CB 3.38Å; D644-Q646 PolarHBondContact OD1-N 2.93Å; Q646-P648 VanDerWaalsContact C-CD 3.41Å; Q646-P648 VanDerWaalsContact O-CD 3.26Å; Q646-P648 WeakPolarHBondContact O-CD 3.34Å
647	W	83.8	Confident	80.4	Confident	36 Å²	36	51.3 Å²	51.3	14%	0.136	25%	0.246	C	C	.	.	S	Bend	trans	-118.6	74.6	178.7	-63.4	-30.8	0	0	0	111.6	F501 I502 C607 D644 Y652	F501-W647 AromaticContact CD2-CE3 4Å; F501-W647 HydrophobicContact CD2-CE3 4Å; F501-W647 HydrophobicContact CD2-CH2 4.07Å; F501-W647 AromaticContact CD2-CZ3 3.46Å; F501-W647 HydrophobicContact CD2-CZ3 3.46Å; F501-W647 VanDerWaalsContact CD2-CZ3 3.46Å; F501-W647 HydrophobicContact CE2-CE3 4.19Å; F501-W647 HydrophobicContact CE2-CZ3 4.01Å; I502-W647 WeakPolarHBondContact O-CZ3 3.36Å; C607-W647 HydrophobicContact CB-CH2 3.96Å; C607-W647 WeakPolarHBondContact SG-CH2 2.93Å; D644-W647 CarbonylContact O-C 3.51Å; D644-W647 PolarHBondContact O-N 2.96Å; D644-W647 PolarHBondContact OD1-N 3.19Å; D644-W647 VanDerWaalsContact OD1-N 3.13Å; W647-Y652 HydrophobicContact CB-CD2 3.95Å; W647-Y652 HydrophobicContact CE3-CE2 4.45Å
648	P	75.7	Confident	80.2	Confident	23 Å²	23	54.4 Å²	54.4	15%	0.149	26%	0.26	C	S	.	.			trans	-61.2	153.6	171.8	27.9	-34.5	0	0	0	110.7	S390 Q646 E650 N651 Y652	S390-P648 CarbonylContact O-C 3.34Å; S390-P648 WeakPolarHBondContact O-CA 3.34Å; S390-P648 WeakPolarHBondContact O-CB 3.33Å; Q646-P648 VanDerWaalsContact C-CD 3.41Å; Q646-P648 VanDerWaalsContact O-CD 3.26Å; Q646-P648 WeakPolarHBondContact O-CD 3.34Å; P648-E650 PolarHBondContact O-N 3.24Å; P648-N651 HydrophobicContact CG-CB 4.37Å; P648-N651 CarbonylContact O-C 3.36Å; P648-N651 WeakPolarHBondContact O-CA 3.47Å; P648-N651 PolarHBondContact O-N 3.16Å; P648-Y652 PolarHBondContact O-N 3.28Å
649	L	74.8	Confident	80.1	Confident	35 Å²	35	57.7 Å²	57.7	18%	0.183	28%	0.276	C	S	.	.	H	α-helix	trans	-45.1	-36.3	-176.7	-68	173.8	0	0	0	114.1	P376 S390 L393 N651 F653	P376-L649 HydrophobicContact CB-CD2 3.21Å; P376-L649 HydrophobicContact CG-CD2 3.37Å; S390-L649 WeakPolarHBondContact O-CG 3.06Å; S390-L649 PolarHBondContact O-N 3.03Å; L393-L649 HydrophobicContact CD2-CD2 4.42Å; L649-N651 VanDerWaalsContact C-N 3.3Å; L649-N651 PolarHBondContact O-N 3.06Å; L649-F653 WeakPolarHBondContact O-CD2 3.48Å
650	E	69.9	Low	79.6	Confident	161 Å²	161	61.5 Å²	61.5	75%	0.752	29%	0.294	S	S	*	.	H	α-helix	trans	-65.6	-32.9	178.8	-63.5	-179.9	-179	0	0	112.5	P648	P648-E650 PolarHBondContact O-N 3.24Å
651	N	68.1	Low	78.9	Confident	75 Å²	75	65.4 Å²	65.4	40%	0.401	31%	0.313	S	S	.	.	H	α-helix	trans	-102.2	-17	-177.4	-60.9	-11.9	0	0	0	112.7	P648 L649 F653 E654	P648-N651 HydrophobicContact CG-CB 4.37Å; P648-N651 CarbonylContact O-C 3.36Å; P648-N651 WeakPolarHBondContact O-CA 3.47Å; P648-N651 PolarHBondContact O-N 3.16Å; L649-N651 VanDerWaalsContact C-N 3.3Å; L649-N651 PolarHBondContact O-N 3.06Å; N651-F653 PolarHBondContact O-N 3.03Å; N651-E654 PolarHBondContact O-N 3.14Å; N651-E654 VanDerWaalsContact O-N 3.16Å
652	Y	67.6	Low	77.9	Confident	11 Å²	11	68.9 Å²	68.9	4%	0.043	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-27.8	-175.4	-167.9	-81.5	0	0	0	113	L375 P376 L393 F501 W647 P648	L375-Y652 HydrophobicContact CB-CE1 4.38Å; L375-Y652 WeakPolarHBondContact CB-OH 3.23Å; L375-Y652 WeakPolarHBondContact O-CE1 3.13Å; P376-Y652 VanDerWaalsContact CD-CD1 3.42Å; P376-Y652 HydrophobicContact CG-CD1 4.49Å; L393-Y652 HydrophobicContact CD1-CD2 4.12Å; L393-Y652 HydrophobicContact CD1-CE2 3.63Å; L393-Y652 HydrophobicContact CD2-CD2 3.54Å; L393-Y652 HydrophobicContact CD2-CE2 3.87Å; L393-Y652 HydrophobicContact CD2-CG 4.22Å; L393-Y652 HydrophobicContact CG-CD2 4.5Å; L393-Y652 HydrophobicContact CG-CE2 4.41Å; F501-Y652 HydrophobicContact CD2-CE2 4.41Å; F501-Y652 HydrophobicContact CE1-CE1 4.37Å; F501-Y652 HydrophobicContact CE2-CE1 4.3Å; F501-Y652 HydrophobicContact CE2-CE2 4.15Å; F501-Y652 AromaticContact CE2-CZ 3.94Å; F501-Y652 AromaticContact CZ-CE1 3.98Å; F501-Y652 HydrophobicContact CZ-CE1 3.98Å; F501-Y652 PolarHBondContact N-OH 2.88Å; F501-Y652 WeakPolarHBondContact O-CE2 3.26Å; F501-Y652 PolarHBondContact O-OH 2.78Å; W647-Y652 HydrophobicContact CB-CD2 3.95Å; W647-Y652 HydrophobicContact CE3-CE2 4.45Å; P648-Y652 PolarHBondContact O-N 3.28Å
653	F	67.8	Low	76.7	Confident	156 Å²	156	74.6 Å²	74.6	68%	0.684	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-12.8	179.6	-63.6	-73	0	0	0	114.2	P376 L649 N651	P376-F653 HydrophobicContact CG-CE1 4.49Å; P376-F653 HydrophobicContact CG-CE2 4.08Å; P376-F653 HydrophobicContact CG-CZ 3.71Å; L649-F653 WeakPolarHBondContact O-CD2 3.48Å; N651-F653 PolarHBondContact O-N 3.03Å
654	E	57.9	Low	75.4	Confident	216 Å²	216	76.6 Å²	76.6	100%	1.009	37%	0.371	S	S	*	.			trans	-83.9	0	173.5	-63.3	-170.6	164.4	0	0	110.6	N651	N651-E654 PolarHBondContact O-N 3.14Å; N651-E654 VanDerWaalsContact O-N 3.16Å

Retrieved 654 of 654 residues in 970.1 ms (Link to these results)

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