A0A087YKL0_POEFO Loading...

Protein arginine N-methyltransferase 2

AlphaFold DB , UniProt , Accession A0A087YKL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 415 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	36.1	Very low	41	Very low	239 Å²	239	169.3 Å²	169.3	100%	1.177	86%	0.858	S	S	*	*				0	82.4	0	-107.1	171.2	75.8	0	0	106.9
2	Q	32	Very low	44.4	Very low	196 Å²	196	160.8 Å²	160.8	92%	0.916	82%	0.824	S	S	*	*			trans	-90.3	115.5	164.7	-82.4	169.6	-25.2	0	0	104.9	E4	Q2-E4 PolarHBondContact O-N 3.45Å
3	T	32	Very low	48	Very low	133 Å²	133	153.8 Å²	153.8	82%	0.816	79%	0.785	S	S	*	*			trans	-80.7	108.2	168.7	32.3	0	0	0	0	107.4
4	E	35.5	Very low	51.2	Low	180 Å²	180	149.4 Å²	149.4	84%	0.841	76%	0.76	S	S	*	*			trans	-58.8	127.6	164.5	-71.4	168.3	157.8	0	0	108.6	Q2 V6	Q2-E4 PolarHBondContact O-N 3.45Å; E4-V6 PolarHBondContact O-N 3.45Å
5	K	32.1	Very low	53.9	Low	207 Å²	207	140.7 Å²	140.7	90%	0.9	71%	0.714	S	S	*	*			trans	-78.5	112.3	161.7	-93.7	-176.9	168.4	-171.1	0	106.2
6	V	33.3	Very low	56.3	Low	129 Å²	129	133.3 Å²	133.3	78%	0.782	68%	0.678	S	S	*	*			trans	-72.5	122.4	165	178.5	0	0	0	0	106.4	E4 E8	E4-V6 PolarHBondContact O-N 3.45Å; V6-E8 PolarHBondContact O-N 2.6Å
7	E	37.7	Very low	58.3	Low	179 Å²	179	125.6 Å²	125.6	84%	0.836	64%	0.639	S	S	*	*			trans	-67.4	122.9	165.9	-72	176.3	166	0	0	107.3	E9	E7-E9 PolarHBondContact O-N 2.96Å
8	E	37.5	Very low	59.5	Low	187 Å²	187	122.7 Å²	122.7	87%	0.874	63%	0.625	S	S	*	*			trans	-67	112.1	170.5	-82	173.2	147.5	0	0	107.8	V6 D10	V6-E8 PolarHBondContact O-N 2.6Å; E8-D10 PolarHBondContact O-N 2.88Å
9	E	43.7	Very low	60.4	Low	195 Å²	195	117 Å²	117	91%	0.911	60%	0.597	S	S	*	*			trans	-69.4	109.9	164.6	-78.7	-179.8	158.6	0	0	107.7	E7	E7-E9 PolarHBondContact O-N 2.96Å
10	D	57.8	Low	61.8	Low	139 Å²	139	116.2 Å²	116.2	74%	0.743	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-57.3	138.9	169.2	-90.1	-32.1	0	0	0	109.6	E8	E8-D10 PolarHBondContact O-N 2.88Å
11	A	73.7	Confident	63.1	Low	78 Å²	78	111.9 Å²	111.9	65%	0.645	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-61.7	143.8	176.7	0	0	0	0	0	110.2	E13	A11-E13 PolarHBondContact O-N 3.23Å
12	P	81.4	Confident	65.6	Low	68 Å²	68	106.2 Å²	106.2	44%	0.442	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-63	131.9	-179.9	24.3	-32.6	0	0	0	111.3	L38 V39	P12-L38 HydrophobicContact CB-CD1 3.87Å; P12-L38 HydrophobicContact CB-CD2 4.13Å; P12-L38 HydrophobicContact CB-CG 3.81Å; P12-L38 HydrophobicContact CG-CD1 4.48Å; P12-L38 HydrophobicContact CG-CD2 4.39Å; P12-V39 VanDerWaalsContact CA-O 3.26Å; P12-V39 WeakPolarHBondContact CA-O 3.4Å
13	E	91.1	Very high	68.3	Low	70 Å²	70	98.2 Å²	98.2	33%	0.327	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142	-174.7	-73.5	178.2	160.6	0	0	110.6	A11 Y15 V39 K42 L66	A11-E13 PolarHBondContact O-N 3.23Å; E13-Y15 HydrophobicContact CB-CD2 4.11Å; E13-Y15 HydrophobicContact CB-CE2 3.62Å; E13-Y15 PolarHBondContact OE2-OH 3.43Å; E13-V39 PolarHBondContact N-O 3Å; E13-V39 PolarHBondContact O-N 3.07Å; E13-K42 IonicContact OE2-NZ 3.27Å; E13-K42 PolarHBondContact OE2-NZ 3.06Å; E13-L66 HydrophobicContact CB-CD1 3.89Å; E13-L66 HydrophobicContact CG-CD1 4.33Å
14	E	92.2	Very high	70.4	Confident	92 Å²	92	97.1 Å²	97.1	43%	0.43	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.7	178.6	-163.8	168.8	166.7	0	0	110.3	K36 D67	E14-K36 HydrophobicContact CG-CB 4.3Å; E14-K36 HydrophobicContact CG-CD 4.5Å; E14-K36 WeakPolarHBondContact OE1-CD 3.37Å; E14-K36 IonicContact OE1-NZ 2.75Å; E14-D67 HydrophobicContact CB-CB 4.25Å; E14-D67 HydrophobicContact CG-CB 4.24Å; E14-D67 WeakPolarHBondContact O-CB 3.39Å; E14-D67 PolarHBondContact O-N 3.12Å
15	Y	92.8	Very high	72.4	Confident	18 Å²	18	90.4 Å²	90.4	7%	0.071	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.3	-179.2	-79.7	-107.6	0	0	0	110.2	E13 K36 L37 V39 K42 W48 L64 R65 L66	E13-Y15 HydrophobicContact CB-CD2 4.11Å; E13-Y15 HydrophobicContact CB-CE2 3.62Å; E13-Y15 PolarHBondContact OE2-OH 3.43Å; Y15-K36 CarbonylContact O-C 3.53Å; Y15-K36 VanDerWaalsContact O-CA 3.3Å; Y15-K36 WeakPolarHBondContact O-CA 3.44Å; Y15-L37 PolarHBondContact N-O 2.67Å; Y15-L37 PolarHBondContact O-N 2.82Å; Y15-V39 HydrophobicContact CD2-CB 3.83Å; Y15-V39 HydrophobicContact CD2-CG2 3.41Å; Y15-V39 VanDerWaalsContact CD2-CG2 3.41Å; Y15-V39 HydrophobicContact CE2-CB 4.07Å; Y15-V39 HydrophobicContact CE2-CG2 4.01Å; Y15-V39 HydrophobicContact CG-CG2 3.8Å; Y15-K42 VanDerWaalsContact OH-CE 3.23Å; Y15-K42 WeakPolarHBondContact OH-CE 3.14Å; Y15-K42 PolarHBondContact OH-NZ 2.93Å; Y15-W48 HydrophobicContact CD1-CH2 4.48Å; Y15-W48 AromaticContact CD1-CZ3 3.71Å; Y15-W48 HydrophobicContact CD1-CZ3 3.71Å; Y15-W48 HydrophobicContact CE1-CE3 4.45Å; Y15-W48 AromaticContact CE1-CH2 3.76Å; Y15-W48 HydrophobicContact CE1-CH2 3.76Å; Y15-W48 AromaticContact CE1-CZ3 3.36Å; Y15-W48 HydrophobicContact CE1-CZ3 3.36Å; Y15-W48 HydrophobicContact CE2-CZ3 4.44Å; Y15-W48 HydrophobicContact CG-CZ3 4.44Å; Y15-W48 AromaticContact CZ-CZ3 3.76Å; Y15-L64 HydrophobicContact CD1-CB 3.92Å; Y15-L64 HydrophobicContact CG-CB 4.36Å; Y15-R65 CarbonylContact C-O 3.55Å; Y15-R65 WeakPolarHBondContact CA-O 3.46Å; Y15-L66 HydrophobicContact CD1-CB 4.32Å; Y15-L66 HydrophobicContact CD2-CD1 3.97Å; Y15-L66 HydrophobicContact CE1-CB 3.94Å; Y15-L66 HydrophobicContact CE1-CD1 4.31Å; Y15-L66 HydrophobicContact CE2-CD1 3.5Å; Y15-L66 VanDerWaalsContact CE2-CD1 3.5Å
16	V	92.6	Very high	74.8	Confident	23 Å²	23	86.7 Å²	86.7	14%	0.139	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.5	176.3	-174	0	0	0	0	109.9	D35 K36 L64 R65 D67	V16-D35 CarbonylContact C-O 3.55Å; V16-D35 WeakPolarHBondContact CA-O 3.28Å; V16-K36 HydrophobicContact CG2-CG 4.41Å; V16-L64 WeakPolarHBondContact O-CA 3.31Å; V16-R65 PolarHBondContact N-O 2.85Å; V16-R65 PolarHBondContact O-N 2.85Å; V16-D67 HydrophobicContact CG2-CB 3.84Å
17	A	89.7	Confident	77.3	Confident	2 Å²	2	87 Å²	87	2%	0.017	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126	173.4	0	0	0	0	0	111.8	F31 I32 G34 D35 L37 Y63 L64	A17-F31 HydrophobicContact CB-CD2 3.45Å; A17-F31 VanDerWaalsContact CB-CD2 3.45Å; A17-F31 HydrophobicContact CB-CE2 3.82Å; A17-F31 HydrophobicContact CB-CG 4.44Å; A17-I32 VanDerWaalsContact CB-O 3.27Å; A17-I32 WeakPolarHBondContact CB-O 3.48Å; A17-G34 PolarHBondContact O-N 3.42Å; A17-D35 HydrophobicContact CB-CB 4.26Å; A17-D35 PolarHBondContact N-O 3.39Å; A17-L37 HydrophobicContact CB-CD1 3.93Å; A17-Y63 CarbonylContact C-O 3.58Å; A17-Y63 WeakPolarHBondContact CA-O 3.43Å; A17-L64 HydrophobicContact CB-CD2 4.23Å
18	L	80.7	Confident	79.8	Confident	74 Å²	74	80.7 Å²	80.7	39%	0.387	46%	0.458	S	S	.	.	S	Bend	trans	-87.6	-24.6	179.3	-61.4	179.5	0	0	0	113.1	T33 Y63 R65	L18-T33 WeakPolarHBondContact O-CG2 3.31Å; L18-Y63 PolarHBondContact N-O 3.08Å; L18-R65 HydrophobicContact CD1-CB 4.14Å; L18-R65 HydrophobicContact CD2-CB 3.83Å; L18-R65 HydrophobicContact CG-CB 4.1Å
19	C	76.1	Confident	82.4	Confident	14 Å²	14	72.3 Å²	72.3	10%	0.095	42%	0.419	C	S	.	.	S	Bend	trans	-151.9	164.7	179.5	49.1	0	0	0	0	110.8	F31 T33 Y63 P383	C19-F31 WeakPolarHBondContact O-CE2 3.48Å; C19-T33 WeakPolarHBondContact CA-OG1 3.4Å; C19-Y63 HydrophobicContact CB-CD1 4.49Å; C19-Y63 WeakPolarHBondContact SG-CD1 3.33Å; C19-Y63 WeakPolarHBondContact SG-CE1 3.29Å; C19-Y63 VanDerWaalsContact SG-CG 3.54Å; C19-P383 HydrophobicContact CB-CG 4.43Å
20	D	87.7	Confident	84.6	Confident	100 Å²	100	65.8 Å²	65.8	54%	0.535	40%	0.395	S	S	.	.			trans	-72.8	138.6	179.7	-61.2	-1.6	0	0	0	111	T33	D20-T33 PolarHBondContact N-OG1 2.91Å; D20-T33 WeakPolarHBondContact OD1-CB 3.11Å; D20-T33 PolarHBondContact OD1-N 2.87Å; D20-T33 PolarHBondContact OD1-OG1 3.35Å
21	F	88.8	Confident	86.3	Confident	27 Å²	27	59.5 Å²	59.5	12%	0.118	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-132.4	129.1	175	177.4	-105.8	0	0	0	110.7	Q28 L29 S30 F31 W47 P60 Y63	F21-Q28 HydrophobicContact CE1-CB 4.34Å; F21-L29 WeakPolarHBondContact CD1-O 3.09Å; F21-L29 WeakPolarHBondContact CE1-O 3.38Å; F21-S30 VanDerWaalsContact O-CA 3.31Å; F21-S30 WeakPolarHBondContact O-CA 3.49Å; F21-S30 WeakPolarHBondContact O-CB 3.13Å; F21-F31 HydrophobicContact CB-CD1 4.08Å; F21-F31 HydrophobicContact CB-CD2 4.09Å; F21-F31 HydrophobicContact CB-CE1 3.58Å; F21-F31 HydrophobicContact CB-CE2 3.61Å; F21-F31 HydrophobicContact CB-CG 4.32Å; F21-F31 HydrophobicContact CB-CZ 3.34Å; F21-F31 HydrophobicContact CD1-CD1 4.04Å; F21-F31 AromaticContact CD1-CE1 3.52Å; F21-F31 HydrophobicContact CD1-CE1 3.52Å; F21-F31 HydrophobicContact CD1-CZ 4.09Å; F21-F31 AromaticContact CG-CE1 3.84Å; F21-F31 HydrophobicContact CG-CE1 3.84Å; F21-F31 AromaticContact CG-CZ 3.93Å; F21-F31 HydrophobicContact CG-CZ 3.93Å; F21-F31 PolarHBondContact N-O 3.23Å; F21-F31 PolarHBondContact O-N 3.39Å; F21-F31 VanDerWaalsContact O-O 3.12Å; F21-W47 HydrophobicContact CE1-CZ3 4.38Å; F21-W47 HydrophobicContact CE2-CH2 4.15Å; F21-W47 AromaticContact CZ-CH2 3.73Å; F21-W47 HydrophobicContact CZ-CH2 3.73Å; F21-W47 AromaticContact CZ-CZ3 3.81Å; F21-W47 HydrophobicContact CZ-CZ3 3.81Å; F21-P60 HydrophobicContact CD1-CG 4.38Å; F21-P60 HydrophobicContact CD2-CG 3.6Å; F21-P60 HydrophobicContact CE1-CG 4.31Å; F21-P60 HydrophobicContact CE2-CG 3.51Å; F21-P60 HydrophobicContact CG-CG 4.06Å; F21-P60 HydrophobicContact CZ-CG 3.9Å; F21-Y63 HydrophobicContact CB-CD1 3.79Å; F21-Y63 HydrophobicContact CB-CE1 4.02Å; F21-Y63 HydrophobicContact CD2-CD1 4.38Å; F21-Y63 HydrophobicContact CD2-CE1 4.09Å; F21-Y63 HydrophobicContact CG-CD1 4.44Å
22	T	90.4	Very high	87.1	Confident	120 Å²	120	60.5 Å²	60.5	74%	0.736	36%	0.355	S	S	*	.			trans	-109.4	119.6	174.9	-56.3	0	0	0	0	109.3	S24	T22-S24 PolarHBondContact O-N 2.87Å
23	A	86.9	Confident	87.4	Confident	27 Å²	27	61 Å²	61	22%	0.223	36%	0.357	C	S	.	.			trans	-59	132.5	178.4	0	0	0	0	0	111.3	Q28 S30	A23-Q28 HydrophobicContact CB-CB 3.59Å; A23-Q28 WeakPolarHBondContact CB-O 3.46Å; A23-S30 VanDerWaalsContact CB-OG 3.24Å; A23-S30 WeakPolarHBondContact CB-OG 3.16Å; A23-S30 PolarHBondContact N-OG 2.89Å
24	S	75.9	Confident	87.1	Confident	111 Å²	111	59.9 Å²	59.9	78%	0.776	36%	0.364	S	S	*	.	S	Bend	trans	-93.9	-8.2	175	60.8	0	0	0	0	113.4	T22 Q28	T22-S24 PolarHBondContact O-N 2.87Å; S24-Q28 PolarHBondContact OG-NE2 3.33Å; S24-Q28 PolarHBondContact OG-OE1 3.14Å; S24-Q28 VanDerWaalsContact OG-OE1 3.06Å
25	G	79.1	Confident	87.1	Confident	39 Å²	39	57.2 Å²	57.2	40%	0.402	35%	0.353	S	S	.	.	S	Bend	trans	-148.6	168.8	179.2	0	0	0	0	0	113.1	E27 Q28	G25-E27 PolarHBondContact O-N 3.12Å; G25-Q28 PolarHBondContact O-N 3.24Å
26	S	81.3	Confident	87.1	Confident	129 Å²	129	61.4 Å²	61.4	90%	0.902	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.4	-175.7	53.8	0	0	0	0	114.8
27	E	86.3	Confident	87.2	Confident	134 Å²	134	60.3 Å²	60.3	63%	0.626	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-3	179.1	-60	-175	172.4	0	0	112.6	G25 G57 Y58	G25-E27 PolarHBondContact O-N 3.12Å; E27-G57 CarbonylContact O-C 3.54Å; E27-G57 VanDerWaalsContact O-CA 3.32Å; E27-G57 WeakPolarHBondContact O-CA 3.48Å; E27-Y58 HydrophobicContact CB-CD2 4.31Å; E27-Y58 PolarHBondContact O-N 3.08Å
28	Q	90.9	Very high	87.4	Confident	47 Å²	47	63 Å²	63	22%	0.22	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-103.2	150.2	179	-71.1	173.2	8.1	0	0	111	F21 A23 S24 G25 W47 Y58	F21-Q28 HydrophobicContact CE1-CB 4.34Å; A23-Q28 HydrophobicContact CB-CB 3.59Å; A23-Q28 WeakPolarHBondContact CB-O 3.46Å; S24-Q28 PolarHBondContact OG-NE2 3.33Å; S24-Q28 PolarHBondContact OG-OE1 3.14Å; S24-Q28 VanDerWaalsContact OG-OE1 3.06Å; G25-Q28 PolarHBondContact O-N 3.24Å; Q28-W47 HydrophobicContact CG-CH2 4.39Å; Q28-W47 HydrophobicContact CG-CZ3 4Å; Q28-Y58 VanDerWaalsContact CA-O 3.3Å; Q28-Y58 WeakPolarHBondContact CA-O 3.35Å
29	L	90.8	Very high	88	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.058	36%	0.362	C	S	.	.			trans	-106.7	123.8	-179.1	-179.6	66.7	0	0	0	109.7	F21 F31 L37 L52 V55 Y58 V59	F21-L29 WeakPolarHBondContact CD1-O 3.09Å; F21-L29 WeakPolarHBondContact CE1-O 3.38Å; L29-F31 WeakPolarHBondContact O-CD1 3.42Å; L29-L37 HydrophobicContact CD2-CD2 4.13Å; L29-L52 HydrophobicContact CD1-CB 4.35Å; L29-L52 HydrophobicContact CD2-CB 3.73Å; L29-L52 HydrophobicContact CG-CB 4.31Å; L29-V55 HydrophobicContact CD1-CB 3.8Å; L29-V55 HydrophobicContact CD1-CG1 3.63Å; L29-Y58 PolarHBondContact N-O 2.94Å; L29-V59 HydrophobicContact CB-CG1 3.77Å; L29-V59 HydrophobicContact CD2-CG1 4.06Å; L29-V59 HydrophobicContact CG-CG1 4.31Å
30	S	91.3	Very high	88.6	Confident	59 Å²	59	62.4 Å²	62.4	41%	0.413	37%	0.373	S	S	.	.			trans	-82	144.4	173.1	-55.5	0	0	0	0	110.4	F21 A23	F21-S30 VanDerWaalsContact O-CA 3.31Å; F21-S30 WeakPolarHBondContact O-CA 3.49Å; F21-S30 WeakPolarHBondContact O-CB 3.13Å; A23-S30 VanDerWaalsContact CB-OG 3.24Å; A23-S30 WeakPolarHBondContact CB-OG 3.16Å; A23-S30 PolarHBondContact N-OG 2.89Å
31	F	93.6	Very high	88.5	Confident	6 Å²	6	62 Å²	62	3%	0.026	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-153.2	160.1	178.3	54.7	-94.6	0	0	0	110.2	A17 C19 F21 L29 D35 L37 L52 V59 Y63 L64	A17-F31 HydrophobicContact CB-CD2 3.45Å; A17-F31 VanDerWaalsContact CB-CD2 3.45Å; A17-F31 HydrophobicContact CB-CE2 3.82Å; A17-F31 HydrophobicContact CB-CG 4.44Å; C19-F31 WeakPolarHBondContact O-CE2 3.48Å; F21-F31 HydrophobicContact CB-CD1 4.08Å; F21-F31 HydrophobicContact CB-CD2 4.09Å; F21-F31 HydrophobicContact CB-CE1 3.58Å; F21-F31 HydrophobicContact CB-CE2 3.61Å; F21-F31 HydrophobicContact CB-CG 4.32Å; F21-F31 HydrophobicContact CB-CZ 3.34Å; F21-F31 HydrophobicContact CD1-CD1 4.04Å; F21-F31 AromaticContact CD1-CE1 3.52Å; F21-F31 HydrophobicContact CD1-CE1 3.52Å; F21-F31 HydrophobicContact CD1-CZ 4.09Å; F21-F31 AromaticContact CG-CE1 3.84Å; F21-F31 HydrophobicContact CG-CE1 3.84Å; F21-F31 AromaticContact CG-CZ 3.93Å; F21-F31 HydrophobicContact CG-CZ 3.93Å; F21-F31 PolarHBondContact N-O 3.23Å; F21-F31 PolarHBondContact O-N 3.39Å; F21-F31 VanDerWaalsContact O-O 3.12Å; L29-F31 WeakPolarHBondContact O-CD1 3.42Å; F31-D35 HydrophobicContact CB-CB 4.29Å; F31-L37 HydrophobicContact CB-CD1 4.35Å; F31-L37 HydrophobicContact CB-CD2 4.25Å; F31-L37 HydrophobicContact CD1-CD2 3.75Å; F31-L37 HydrophobicContact CE1-CD2 4.28Å; F31-L37 HydrophobicContact CG-CD1 4.33Å; F31-L37 HydrophobicContact CG-CD2 4.02Å; F31-L52 HydrophobicContact CB-CD2 3.76Å; F31-V59 HydrophobicContact CD1-CB 4.48Å; F31-V59 HydrophobicContact CD1-CG1 3.87Å; F31-V59 HydrophobicContact CE1-CB 3.72Å; F31-V59 HydrophobicContact CE1-CG1 3.58Å; F31-V59 HydrophobicContact CZ-CB 4.48Å; F31-Y63 HydrophobicContact CE2-CD1 4.16Å; F31-Y63 HydrophobicContact CZ-CD1 4.11Å; F31-Y63 HydrophobicContact CZ-CG 4.26Å; F31-L64 HydrophobicContact CE2-CD2 4.22Å; F31-L64 HydrophobicContact CZ-CD2 4.23Å
32	I	90.1	Very high	88.5	Confident	100 Å²	100	65.4 Å²	65.4	51%	0.513	39%	0.385	S	S	.	.			trans	-112.7	160	175.4	59.3	168	0	0	0	110.9	A17 G34 D35	A17-I32 VanDerWaalsContact CB-O 3.27Å; A17-I32 WeakPolarHBondContact CB-O 3.48Å; I32-G34 PolarHBondContact O-N 3.37Å; I32-D35 VanDerWaalsContact CG1-OD2 3.3Å; I32-D35 WeakPolarHBondContact CG1-OD2 3.37Å; I32-D35 PolarHBondContact N-OD2 2.94Å; I32-D35 VanDerWaalsContact O-CB 3.26Å; I32-D35 WeakPolarHBondContact O-CB 3.24Å; I32-D35 PolarHBondContact O-N 2.92Å
33	T	86.8	Confident	87.7	Confident	78 Å²	78	62.4 Å²	62.4	48%	0.479	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	128.4	176.7	-52	0	0	0	0	111	L18 C19 D20	L18-T33 WeakPolarHBondContact O-CG2 3.31Å; C19-T33 WeakPolarHBondContact CA-OG1 3.4Å; D20-T33 PolarHBondContact N-OG1 2.91Å; D20-T33 WeakPolarHBondContact OD1-CB 3.11Å; D20-T33 PolarHBondContact OD1-N 2.87Å; D20-T33 PolarHBondContact OD1-OG1 3.35Å
34	G	84.6	Confident	87.2	Confident	47 Å²	47	63.7 Å²	63.7	49%	0.485	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-6.6	-178.4	0	0	0	0	0	115.1	A17 I32	A17-G34 PolarHBondContact O-N 3.42Å; I32-G34 PolarHBondContact O-N 3.37Å
35	D	92.1	Very high	86.9	Confident	36 Å²	36	62.6 Å²	62.6	19%	0.193	37%	0.374	C	S	.	.			trans	-60.6	145.1	170.2	-80.2	-23.1	0	0	0	110.7	V16 A17 F31 I32 L37 L52	V16-D35 CarbonylContact C-O 3.55Å; V16-D35 WeakPolarHBondContact CA-O 3.28Å; A17-D35 HydrophobicContact CB-CB 4.26Å; A17-D35 PolarHBondContact N-O 3.39Å; F31-D35 HydrophobicContact CB-CB 4.29Å; I32-D35 VanDerWaalsContact CG1-OD2 3.3Å; I32-D35 WeakPolarHBondContact CG1-OD2 3.37Å; I32-D35 PolarHBondContact N-OD2 2.94Å; I32-D35 VanDerWaalsContact O-CB 3.26Å; I32-D35 WeakPolarHBondContact O-CB 3.24Å; I32-D35 PolarHBondContact O-N 2.92Å; D35-L37 HydrophobicContact CB-CD1 4Å; D35-L37 WeakPolarHBondContact O-CD1 3.3Å; D35-L52 HydrophobicContact CB-CD1 4.03Å; D35-L52 HydrophobicContact CB-CD2 4.14Å; D35-L52 WeakPolarHBondContact OD2-CD2 3.23Å
36	K	93.8	Very high	87	Confident	106 Å²	106	65.2 Å²	65.2	46%	0.461	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.7	174	-59.3	-159.9	-178	-167.1	0	110.1	E14 Y15 V16 L52 D67	E14-K36 HydrophobicContact CG-CB 4.3Å; E14-K36 HydrophobicContact CG-CD 4.5Å; E14-K36 WeakPolarHBondContact OE1-CD 3.37Å; E14-K36 IonicContact OE1-NZ 2.75Å; Y15-K36 CarbonylContact O-C 3.53Å; Y15-K36 VanDerWaalsContact O-CA 3.3Å; Y15-K36 WeakPolarHBondContact O-CA 3.44Å; V16-K36 HydrophobicContact CG2-CG 4.41Å; K36-L52 WeakPolarHBondContact O-CD1 3.25Å; K36-D67 WeakPolarHBondContact CE-OD2 3.45Å; K36-D67 IonicContact NZ-OD1 2.76Å; K36-D67 IonicContact NZ-OD2 2.91Å; K36-D67 PolarHBondContact NZ-OD2 2.83Å
37	L	94.4	Very high	87.2	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137	-177.3	-64	88.2	0	0	0	109.5	Y15 A17 L29 F31 D35 A50 E51 L52 V59 L64	Y15-L37 PolarHBondContact N-O 2.67Å; Y15-L37 PolarHBondContact O-N 2.82Å; A17-L37 HydrophobicContact CB-CD1 3.93Å; L29-L37 HydrophobicContact CD2-CD2 4.13Å; F31-L37 HydrophobicContact CB-CD1 4.35Å; F31-L37 HydrophobicContact CB-CD2 4.25Å; F31-L37 HydrophobicContact CD1-CD2 3.75Å; F31-L37 HydrophobicContact CE1-CD2 4.28Å; F31-L37 HydrophobicContact CG-CD1 4.33Å; F31-L37 HydrophobicContact CG-CD2 4.02Å; D35-L37 HydrophobicContact CB-CD1 4Å; D35-L37 WeakPolarHBondContact O-CD1 3.3Å; L37-A50 HydrophobicContact CB-CB 4.3Å; L37-A50 HydrophobicContact CD2-CB 4.31Å; L37-E51 CarbonylContact C-O 3.52Å; L37-E51 WeakPolarHBondContact CA-O 3.41Å; L37-L52 HydrophobicContact CG-CB 4.33Å; L37-L52 HydrophobicContact CG-CD1 4.41Å; L37-V59 HydrophobicContact CD2-CG1 3.84Å; L37-L64 HydrophobicContact CD1-CD2 3.7Å; L37-L64 HydrophobicContact CD2-CD1 4.48Å; L37-L64 HydrophobicContact CD2-CD2 4.2Å; L37-L64 HydrophobicContact CG-CD2 4.38Å
38	L	94.3	Very high	87.5	Confident	58 Å²	58	58.6 Å²	58.6	30%	0.304	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107.3	173.4	-172.9	68.5	0	0	0	108.6	P12 A50 E51	P12-L38 HydrophobicContact CB-CD1 3.87Å; P12-L38 HydrophobicContact CB-CD2 4.13Å; P12-L38 HydrophobicContact CB-CG 3.81Å; P12-L38 HydrophobicContact CG-CD1 4.48Å; P12-L38 HydrophobicContact CG-CD2 4.39Å; L38-A50 CarbonylContact O-C 3.52Å; L38-A50 VanDerWaalsContact O-CA 3.24Å; L38-A50 WeakPolarHBondContact O-CA 3.28Å; L38-E51 HydrophobicContact CB-CB 4.33Å; L38-E51 PolarHBondContact N-O 3.1Å; L38-E51 PolarHBondContact O-N 3.02Å
39	V	93.6	Very high	87.5	Confident	6 Å²	6	59.6 Å²	59.6	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115	-179.2	178.9	0	0	0	0	109.1	P12 E13 Y15 K42 W48 A50 L64	P12-V39 VanDerWaalsContact CA-O 3.26Å; P12-V39 WeakPolarHBondContact CA-O 3.4Å; E13-V39 PolarHBondContact N-O 3Å; E13-V39 PolarHBondContact O-N 3.07Å; Y15-V39 HydrophobicContact CD2-CB 3.83Å; Y15-V39 HydrophobicContact CD2-CG2 3.41Å; Y15-V39 VanDerWaalsContact CD2-CG2 3.41Å; Y15-V39 HydrophobicContact CE2-CB 4.07Å; Y15-V39 HydrophobicContact CE2-CG2 4.01Å; Y15-V39 HydrophobicContact CG-CG2 3.8Å; V39-K42 HydrophobicContact CG1-CG 4.3Å; V39-W48 HydrophobicContact CG1-CB 4.07Å; V39-W48 HydrophobicContact CG1-CD2 4.37Å; V39-W48 HydrophobicContact CG1-CE3 4.06Å; V39-W48 HydrophobicContact CG1-CG 4.43Å; V39-W48 HydrophobicContact CG2-CE3 4.06Å; V39-A50 HydrophobicContact CG2-CB 4.11Å; V39-L64 HydrophobicContact CG2-CD1 3.92Å
40	H	87.9	Confident	87.7	Confident	70 Å²	70	59.1 Å²	59.1	32%	0.324	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-33.3	-178.7	-67	-73.5	0	0	0	112.5	W49 E51	H40-W49 PolarHBondContact N-O 3.42Å; H40-E51 IonicContact CE1-OE2 3.94Å; H40-E51 WeakPolarHBondContact NE2-CB 3.49Å; H40-E51 IonicContact NE2-OE2 3.69Å; H40-E51 PolarHBondContact NE2-OE2 3.01Å
41	N	85.9	Confident	87.8	Confident	90 Å²	90	59.2 Å²	59.2	48%	0.481	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	129.6	-176.7	-174.9	-53.7	0	0	0	111.3	S43 W48 W49	N41-S43 VanDerWaalsContact C-N 3.27Å; N41-S43 PolarHBondContact O-N 2.78Å; N41-S43 VanDerWaalsContact O-N 3.08Å; N41-S43 WeakPolarHBondContact OD1-CA 3.44Å; N41-S43 PolarHBondContact OD1-N 3.48Å; N41-S43 PolarHBondContact OD1-OG 3.08Å; N41-W48 CarbonylContact O-C 3.58Å; N41-W48 WeakPolarHBondContact O-CA 3.31Å; N41-W49 HydrophobicContact CB-CB 4.13Å; N41-W49 PolarHBondContact N-O 3.47Å; N41-W49 PolarHBondContact O-N 2.97Å
42	K	87.6	Confident	87.8	Confident	100 Å²	100	59.8 Å²	59.8	44%	0.435	33%	0.325	S	S	.	.			trans	-85.6	70.1	174.1	-63.8	173.7	-175.3	160.8	0	109.7	E13 Y15 V39 S44 W48	E13-K42 IonicContact OE2-NZ 3.27Å; E13-K42 PolarHBondContact OE2-NZ 3.06Å; Y15-K42 VanDerWaalsContact OH-CE 3.23Å; Y15-K42 WeakPolarHBondContact OH-CE 3.14Å; Y15-K42 PolarHBondContact OH-NZ 2.93Å; V39-K42 HydrophobicContact CG1-CG 4.3Å; K42-S44 PolarHBondContact O-N 3.01Å; K42-S44 VanDerWaalsContact O-N 3.1Å; K42-W48 VanDerWaalsContact CA-CD1 3.47Å; K42-W48 HydrophobicContact CB-CG 4.3Å; K42-W48 HydrophobicContact CD-CZ2 4.34Å; K42-W48 HydrophobicContact CG-CD2 4Å; K42-W48 HydrophobicContact CG-CG 4.14Å; K42-W48 HydrophobicContact CG-CZ2 4.35Å
43	S	74.1	Confident	87.8	Confident	57 Å²	57	63.6 Å²	63.6	40%	0.399	34%	0.34	S	S	.	.			trans	-61.5	-24.8	-165.6	-54.7	0	0	0	0	114.5	N41 W47	N41-S43 VanDerWaalsContact C-N 3.27Å; N41-S43 PolarHBondContact O-N 2.78Å; N41-S43 VanDerWaalsContact O-N 3.08Å; N41-S43 WeakPolarHBondContact OD1-CA 3.44Å; N41-S43 PolarHBondContact OD1-N 3.48Å; N41-S43 PolarHBondContact OD1-OG 3.08Å; S43-W47 PolarHBondContact N-O 2.94Å
44	S	76.4	Confident	87.7	Confident	54 Å²	54	62.5 Å²	62.5	38%	0.378	35%	0.345	S	S	.	.	S	Bend	trans	-155.6	178.6	171.6	63.7	0	0	0	0	110.6	K42 D46 W47 W48	K42-S44 PolarHBondContact O-N 3.01Å; K42-S44 VanDerWaalsContact O-N 3.1Å; S44-D46 PolarHBondContact O-N 3.28Å; S44-D46 PolarHBondContact OG-N 3.48Å; S44-W47 PolarHBondContact N-O 3.27Å; S44-W47 PolarHBondContact OG-N 3.46Å; S44-W47 PolarHBondContact OG-O 2.81Å; S44-W47 VanDerWaalsContact OG-O 3.09Å; S44-W48 VanDerWaalsContact O-CD1 3.28Å; S44-W48 PolarHBondContact O-NE1 3.28Å
45	A	70.8	Confident	88	Confident	88 Å²	88	64.5 Å²	64.5	73%	0.727	35%	0.347	S	S	*	.	S	Bend	trans	-61	-32.8	172.3	0	0	0	0	0	112.7	A61	A45-A61 WeakPolarHBondContact O-CB 3.36Å
46	D	79.8	Confident	88	Confident	93 Å²	93	67.2 Å²	67.2	50%	0.497	36%	0.361	S	S	.	.	S	Bend	trans	-102.6	-29.1	-171	-65	-35.2	0	0	0	113.5	S44 P60 A61	S44-D46 PolarHBondContact O-N 3.28Å; S44-D46 PolarHBondContact OG-N 3.48Å; D46-P60 CarbonylContact O-C 3.57Å; D46-P60 WeakPolarHBondContact O-CA 3.32Å; D46-A61 PolarHBondContact O-N 2.94Å
47	W	86	Confident	87.9	Confident	87 Å²	87	62.1 Å²	62.1	33%	0.33	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127	-173.2	-67.5	90.6	0	0	0	111.9	F21 Q28 S43 S44 Y58 V59 P60	F21-W47 HydrophobicContact CE1-CZ3 4.38Å; F21-W47 HydrophobicContact CE2-CH2 4.15Å; F21-W47 AromaticContact CZ-CH2 3.73Å; F21-W47 HydrophobicContact CZ-CH2 3.73Å; F21-W47 AromaticContact CZ-CZ3 3.81Å; F21-W47 HydrophobicContact CZ-CZ3 3.81Å; Q28-W47 HydrophobicContact CG-CH2 4.39Å; Q28-W47 HydrophobicContact CG-CZ3 4Å; S43-W47 PolarHBondContact N-O 2.94Å; S44-W47 PolarHBondContact N-O 3.27Å; S44-W47 PolarHBondContact OG-N 3.46Å; S44-W47 PolarHBondContact OG-O 2.81Å; S44-W47 VanDerWaalsContact OG-O 3.09Å; W47-Y58 HydrophobicContact CB-CD1 4.41Å; W47-V59 WeakPolarHBondContact CA-O 3.41Å; W47-P60 HydrophobicContact CE3-CG 4.39Å; W47-P60 HydrophobicContact CH2-CG 4.06Å; W47-P60 HydrophobicContact CZ3-CG 3.88Å
48	W	92.4	Very high	87.7	Confident	37 Å²	37	66.1 Å²	66.1	14%	0.14	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	154.7	176.7	-62	-11.5	0	0	0	110.5	Y15 V39 N41 K42 S44 Y58 V59 A61 L64	Y15-W48 HydrophobicContact CD1-CH2 4.48Å; Y15-W48 AromaticContact CD1-CZ3 3.71Å; Y15-W48 HydrophobicContact CD1-CZ3 3.71Å; Y15-W48 HydrophobicContact CE1-CE3 4.45Å; Y15-W48 AromaticContact CE1-CH2 3.76Å; Y15-W48 HydrophobicContact CE1-CH2 3.76Å; Y15-W48 AromaticContact CE1-CZ3 3.36Å; Y15-W48 HydrophobicContact CE1-CZ3 3.36Å; Y15-W48 HydrophobicContact CE2-CZ3 4.44Å; Y15-W48 HydrophobicContact CG-CZ3 4.44Å; Y15-W48 AromaticContact CZ-CZ3 3.76Å; V39-W48 HydrophobicContact CG1-CB 4.07Å; V39-W48 HydrophobicContact CG1-CD2 4.37Å; V39-W48 HydrophobicContact CG1-CE3 4.06Å; V39-W48 HydrophobicContact CG1-CG 4.43Å; V39-W48 HydrophobicContact CG2-CE3 4.06Å; N41-W48 CarbonylContact O-C 3.58Å; N41-W48 WeakPolarHBondContact O-CA 3.31Å; K42-W48 VanDerWaalsContact CA-CD1 3.47Å; K42-W48 HydrophobicContact CB-CG 4.3Å; K42-W48 HydrophobicContact CD-CZ2 4.34Å; K42-W48 HydrophobicContact CG-CD2 4Å; K42-W48 HydrophobicContact CG-CG 4.14Å; K42-W48 HydrophobicContact CG-CZ2 4.35Å; S44-W48 VanDerWaalsContact O-CD1 3.28Å; S44-W48 PolarHBondContact O-NE1 3.28Å; W48-Y58 CarbonylContact O-C 3.55Å; W48-Y58 VanDerWaalsContact O-CA 3.29Å; W48-Y58 WeakPolarHBondContact O-CA 3.34Å; W48-V59 HydrophobicContact CB-CG2 4.19Å; W48-V59 PolarHBondContact N-O 3.22Å; W48-V59 WeakPolarHBondContact O-CG2 3.44Å; W48-V59 PolarHBondContact O-N 2.84Å; W48-A61 HydrophobicContact CD2-CB 3.63Å; W48-A61 HydrophobicContact CE3-CB 4.25Å; W48-A61 HydrophobicContact CG-CB 3.97Å; W48-A61 HydrophobicContact CH2-CB 4.22Å; W48-A61 HydrophobicContact CZ2-CB 3.62Å; W48-A61 HydrophobicContact CZ3-CB 4.49Å; W48-L64 HydrophobicContact CE3-CD1 4.19Å; W48-L64 HydrophobicContact CZ3-CB 4.18Å
49	W	91.8	Very high	87.6	Confident	69 Å²	69	63.4 Å²	63.4	26%	0.261	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.6	173.2	-169.2	-107.4	0	0	0	109	H40 N41 I56 G57 Y58	H40-W49 PolarHBondContact N-O 3.42Å; N41-W49 HydrophobicContact CB-CB 4.13Å; N41-W49 PolarHBondContact N-O 3.47Å; N41-W49 PolarHBondContact O-N 2.97Å; W49-I56 HydrophobicContact CZ2-CB 4.03Å; W49-I56 HydrophobicContact CZ2-CD1 3.79Å; W49-I56 HydrophobicContact CZ2-CG1 3.8Å; W49-G57 VanDerWaalsContact CE3-C 3.44Å; W49-Y58 HydrophobicContact CB-CE1 4.48Å; W49-Y58 AromaticContact CE3-CD1 3.67Å; W49-Y58 HydrophobicContact CE3-CD1 3.67Å; W49-Y58 AromaticContact CE3-CD2 3.68Å; W49-Y58 HydrophobicContact CE3-CD2 3.68Å; W49-Y58 AromaticContact CE3-CE1 3.65Å; W49-Y58 HydrophobicContact CE3-CE1 3.65Å; W49-Y58 AromaticContact CE3-CE2 3.66Å; W49-Y58 HydrophobicContact CE3-CE2 3.66Å; W49-Y58 AromaticContact CE3-CG 3.67Å; W49-Y58 HydrophobicContact CE3-CG 3.67Å; W49-Y58 AromaticContact CE3-CZ 3.64Å; W49-Y58 HydrophobicContact CZ3-CD1 4.31Å; W49-Y58 AromaticContact CZ3-CD2 3.43Å; W49-Y58 HydrophobicContact CZ3-CD2 3.43Å; W49-Y58 VanDerWaalsContact CZ3-CD2 3.43Å; W49-Y58 HydrophobicContact CZ3-CE1 4.32Å; W49-Y58 AromaticContact CZ3-CE2 3.45Å; W49-Y58 HydrophobicContact CZ3-CE2 3.45Å; W49-Y58 VanDerWaalsContact CZ3-CE2 3.45Å; W49-Y58 AromaticContact CZ3-CG 3.87Å; W49-Y58 HydrophobicContact CZ3-CG 3.87Å; W49-Y58 AromaticContact CZ3-CZ 3.9Å
50	A	94.3	Very high	87.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	164.9	-174.1	0	0	0	0	0	112.5	L37 L38 V39 I56 G57 V59	L37-A50 HydrophobicContact CB-CB 4.3Å; L37-A50 HydrophobicContact CD2-CB 4.31Å; L38-A50 CarbonylContact O-C 3.52Å; L38-A50 VanDerWaalsContact O-CA 3.24Å; L38-A50 WeakPolarHBondContact O-CA 3.28Å; V39-A50 HydrophobicContact CG2-CB 4.11Å; A50-I56 CarbonylContact O-C 3.6Å; A50-I56 VanDerWaalsContact O-CA 3.28Å; A50-I56 WeakPolarHBondContact O-CA 3.47Å; A50-G57 PolarHBondContact N-O 3.27Å; A50-G57 PolarHBondContact O-N 3.42Å; A50-V59 HydrophobicContact CB-CG1 4.17Å; A50-V59 HydrophobicContact CB-CG2 3.51Å
51	E	94.4	Very high	87.3	Confident	61 Å²	61	60.6 Å²	60.6	29%	0.285	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.8	176.9	-172.7	-177.8	153.3	0	0	110.9	L37 L38 H40 G54 V55 I56	L37-E51 CarbonylContact C-O 3.52Å; L37-E51 WeakPolarHBondContact CA-O 3.41Å; L38-E51 HydrophobicContact CB-CB 4.33Å; L38-E51 PolarHBondContact N-O 3.1Å; L38-E51 PolarHBondContact O-N 3.02Å; H40-E51 IonicContact CE1-OE2 3.94Å; H40-E51 WeakPolarHBondContact NE2-CB 3.49Å; H40-E51 IonicContact NE2-OE2 3.69Å; H40-E51 PolarHBondContact NE2-OE2 3.01Å; E51-G54 WeakPolarHBondContact OE1-CA 3.38Å; E51-V55 CarbonylContact C-O 3.54Å; E51-V55 VanDerWaalsContact CA-O 3.29Å; E51-V55 WeakPolarHBondContact CA-O 3.44Å; E51-I56 HydrophobicContact CB-CG2 3.81Å; E51-I56 HydrophobicContact CG-CG2 3.78Å
52	L	93.7	Very high	87.1	Confident	19 Å²	19	58 Å²	58	10%	0.099	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.3	169.1	-179.2	63.3	0	0	0	108.3	L29 F31 D35 K36 L37 G54 V55	L29-L52 HydrophobicContact CD1-CB 4.35Å; L29-L52 HydrophobicContact CD2-CB 3.73Å; L29-L52 HydrophobicContact CG-CB 4.31Å; F31-L52 HydrophobicContact CB-CD2 3.76Å; D35-L52 HydrophobicContact CB-CD1 4.03Å; D35-L52 HydrophobicContact CB-CD2 4.14Å; D35-L52 WeakPolarHBondContact OD2-CD2 3.23Å; K36-L52 WeakPolarHBondContact O-CD1 3.25Å; L37-L52 HydrophobicContact CG-CB 4.33Å; L37-L52 HydrophobicContact CG-CD1 4.41Å; L52-G54 PolarHBondContact O-N 2.87Å; L52-G54 VanDerWaalsContact O-N 3.16Å; L52-V55 PolarHBondContact N-O 2.81Å; L52-V55 PolarHBondContact O-N 3.11Å
53	Q	88.4	Confident	87	Confident	179 Å²	179	55.4 Å²	55.4	84%	0.836	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	37.2	176.8	-56.9	-179.9	4.8	0	0	114.3	V55	Q53-V55 VanDerWaalsContact C-N 3.34Å
54	G	84.9	Confident	87.7	Confident	56 Å²	56	53.3 Å²	53.3	58%	0.577	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	1	-179.8	0	0	0	0	0	115.2	E51 L52	E51-G54 WeakPolarHBondContact OE1-CA 3.38Å; L52-G54 PolarHBondContact O-N 2.87Å; L52-G54 VanDerWaalsContact O-N 3.16Å
55	V	90.6	Very high	88.2	Confident	88 Å²	88	57.8 Å²	57.8	53%	0.533	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.6	172.5	-171.6	0	0	0	0	108.6	L29 E51 L52 Q53	L29-V55 HydrophobicContact CD1-CB 3.8Å; L29-V55 HydrophobicContact CD1-CG1 3.63Å; E51-V55 CarbonylContact C-O 3.54Å; E51-V55 VanDerWaalsContact CA-O 3.29Å; E51-V55 WeakPolarHBondContact CA-O 3.44Å; L52-V55 PolarHBondContact N-O 2.81Å; L52-V55 PolarHBondContact O-N 3.11Å; Q53-V55 VanDerWaalsContact C-N 3.34Å
56	I	92.8	Very high	89	Confident	93 Å²	93	56.8 Å²	56.8	48%	0.477	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.4	179.7	59.7	-179	0	0	0	111.2	W49 A50 E51	W49-I56 HydrophobicContact CZ2-CB 4.03Å; W49-I56 HydrophobicContact CZ2-CD1 3.79Å; W49-I56 HydrophobicContact CZ2-CG1 3.8Å; A50-I56 CarbonylContact O-C 3.6Å; A50-I56 VanDerWaalsContact O-CA 3.28Å; A50-I56 WeakPolarHBondContact O-CA 3.47Å; E51-I56 HydrophobicContact CB-CG2 3.81Å; E51-I56 HydrophobicContact CG-CG2 3.78Å
57	G	91.1	Very high	88.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	174.5	174.3	0	0	0	0	0	112.7	E27 W49 A50	E27-G57 CarbonylContact O-C 3.54Å; E27-G57 VanDerWaalsContact O-CA 3.32Å; E27-G57 WeakPolarHBondContact O-CA 3.48Å; W49-G57 VanDerWaalsContact CE3-C 3.44Å; A50-G57 PolarHBondContact N-O 3.27Å; A50-G57 PolarHBondContact O-N 3.42Å
58	Y	90.9	Very high	87.8	Confident	84 Å²	84	54.2 Å²	54.2	33%	0.329	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.4	172.4	-72.4	-69.6	0	0	0	111.1	E27 Q28 L29 W47 W48 W49	E27-Y58 HydrophobicContact CB-CD2 4.31Å; E27-Y58 PolarHBondContact O-N 3.08Å; Q28-Y58 VanDerWaalsContact CA-O 3.3Å; Q28-Y58 WeakPolarHBondContact CA-O 3.35Å; L29-Y58 PolarHBondContact N-O 2.94Å; W47-Y58 HydrophobicContact CB-CD1 4.41Å; W48-Y58 CarbonylContact O-C 3.55Å; W48-Y58 VanDerWaalsContact O-CA 3.29Å; W48-Y58 WeakPolarHBondContact O-CA 3.34Å; W49-Y58 HydrophobicContact CB-CE1 4.48Å; W49-Y58 AromaticContact CE3-CD1 3.67Å; W49-Y58 HydrophobicContact CE3-CD1 3.67Å; W49-Y58 AromaticContact CE3-CD2 3.68Å; W49-Y58 HydrophobicContact CE3-CD2 3.68Å; W49-Y58 AromaticContact CE3-CE1 3.65Å; W49-Y58 HydrophobicContact CE3-CE1 3.65Å; W49-Y58 AromaticContact CE3-CE2 3.66Å; W49-Y58 HydrophobicContact CE3-CE2 3.66Å; W49-Y58 AromaticContact CE3-CG 3.67Å; W49-Y58 HydrophobicContact CE3-CG 3.67Å; W49-Y58 AromaticContact CE3-CZ 3.64Å; W49-Y58 HydrophobicContact CZ3-CD1 4.31Å; W49-Y58 AromaticContact CZ3-CD2 3.43Å; W49-Y58 HydrophobicContact CZ3-CD2 3.43Å; W49-Y58 VanDerWaalsContact CZ3-CD2 3.43Å; W49-Y58 HydrophobicContact CZ3-CE1 4.32Å; W49-Y58 AromaticContact CZ3-CE2 3.45Å; W49-Y58 HydrophobicContact CZ3-CE2 3.45Å; W49-Y58 VanDerWaalsContact CZ3-CE2 3.45Å; W49-Y58 AromaticContact CZ3-CG 3.87Å; W49-Y58 HydrophobicContact CZ3-CG 3.87Å; W49-Y58 AromaticContact CZ3-CZ 3.9Å
59	V	91.9	Very high	85.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.9	177.3	-64.5	0	0	0	0	109.6	L29 F31 L37 W47 W48 A50 A61 L64	L29-V59 HydrophobicContact CB-CG1 3.77Å; L29-V59 HydrophobicContact CD2-CG1 4.06Å; L29-V59 HydrophobicContact CG-CG1 4.31Å; F31-V59 HydrophobicContact CD1-CB 4.48Å; F31-V59 HydrophobicContact CD1-CG1 3.87Å; F31-V59 HydrophobicContact CE1-CB 3.72Å; F31-V59 HydrophobicContact CE1-CG1 3.58Å; F31-V59 HydrophobicContact CZ-CB 4.48Å; L37-V59 HydrophobicContact CD2-CG1 3.84Å; W47-V59 WeakPolarHBondContact CA-O 3.41Å; W48-V59 HydrophobicContact CB-CG2 4.19Å; W48-V59 PolarHBondContact N-O 3.22Å; W48-V59 WeakPolarHBondContact O-CG2 3.44Å; W48-V59 PolarHBondContact O-N 2.84Å; A50-V59 HydrophobicContact CB-CG1 4.17Å; A50-V59 HydrophobicContact CB-CG2 3.51Å; V59-A61 PolarHBondContact O-N 2.8Å; V59-L64 HydrophobicContact CB-CD1 4.33Å; V59-L64 HydrophobicContact CG2-CD1 3.55Å
60	P	87.8	Confident	83.6	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.058	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.5	174.8	-15.2	28.5	0	0	0	110.5	F21 D46 W47 S62 Y63	F21-P60 HydrophobicContact CD1-CG 4.38Å; F21-P60 HydrophobicContact CD2-CG 3.6Å; F21-P60 HydrophobicContact CE1-CG 4.31Å; F21-P60 HydrophobicContact CE2-CG 3.51Å; F21-P60 HydrophobicContact CG-CG 4.06Å; F21-P60 HydrophobicContact CZ-CG 3.9Å; D46-P60 CarbonylContact O-C 3.57Å; D46-P60 WeakPolarHBondContact O-CA 3.32Å; W47-P60 HydrophobicContact CE3-CG 4.39Å; W47-P60 HydrophobicContact CH2-CG 4.06Å; W47-P60 HydrophobicContact CZ3-CG 3.88Å; P60-S62 PolarHBondContact O-N 2.82Å; P60-Y63 HydrophobicContact CB-CD2 3.57Å; P60-Y63 HydrophobicContact CB-CE2 4.1Å; P60-Y63 HydrophobicContact CB-CG 4Å; P60-Y63 HydrophobicContact CG-CD2 4.06Å; P60-Y63 HydrophobicContact CG-CE2 4.37Å; P60-Y63 HydrophobicContact CG-CG 4.18Å; P60-Y63 PolarHBondContact O-N 3.02Å; P60-Y63 VanDerWaalsContact O-N 3.11Å
61	A	86.8	Confident	81.3	Confident	8 Å²	8	71 Å²	71	7%	0.066	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-54.4	-42.3	177.4	0	0	0	0	0	112	A45 D46 W48 V59 Y63 L64	A45-A61 WeakPolarHBondContact O-CB 3.36Å; D46-A61 PolarHBondContact O-N 2.94Å; W48-A61 HydrophobicContact CD2-CB 3.63Å; W48-A61 HydrophobicContact CE3-CB 4.25Å; W48-A61 HydrophobicContact CG-CB 3.97Å; W48-A61 HydrophobicContact CH2-CB 4.22Å; W48-A61 HydrophobicContact CZ2-CB 3.62Å; W48-A61 HydrophobicContact CZ3-CB 4.49Å; V59-A61 PolarHBondContact O-N 2.8Å; A61-Y63 PolarHBondContact O-N 3Å; A61-L64 PolarHBondContact O-N 2.8Å; A61-L64 VanDerWaalsContact O-N 3.12Å
62	S	82.8	Confident	78.7	Confident	37 Å²	37	71 Å²	71	26%	0.259	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-64	-10.1	-179.3	46	0	0	0	0	115.2	P60 W385	P60-S62 PolarHBondContact O-N 2.82Å; S62-W385 VanDerWaalsContact CB-NE1 3.3Å
63	Y	86	Confident	76.3	Confident	44 Å²	44	78.4 Å²	78.4	17%	0.173	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-99.1	-2.8	-178.6	-77	-131.2	0	0	0	111.4	A17 L18 C19 F21 F31 P60 A61	A17-Y63 CarbonylContact C-O 3.58Å; A17-Y63 WeakPolarHBondContact CA-O 3.43Å; L18-Y63 PolarHBondContact N-O 3.08Å; C19-Y63 HydrophobicContact CB-CD1 4.49Å; C19-Y63 WeakPolarHBondContact SG-CD1 3.33Å; C19-Y63 WeakPolarHBondContact SG-CE1 3.29Å; C19-Y63 VanDerWaalsContact SG-CG 3.54Å; F21-Y63 HydrophobicContact CB-CD1 3.79Å; F21-Y63 HydrophobicContact CB-CE1 4.02Å; F21-Y63 HydrophobicContact CD2-CD1 4.38Å; F21-Y63 HydrophobicContact CD2-CE1 4.09Å; F21-Y63 HydrophobicContact CG-CD1 4.44Å; F31-Y63 HydrophobicContact CE2-CD1 4.16Å; F31-Y63 HydrophobicContact CZ-CD1 4.11Å; F31-Y63 HydrophobicContact CZ-CG 4.26Å; P60-Y63 HydrophobicContact CB-CD2 3.57Å; P60-Y63 HydrophobicContact CB-CE2 4.1Å; P60-Y63 HydrophobicContact CB-CG 4Å; P60-Y63 HydrophobicContact CG-CD2 4.06Å; P60-Y63 HydrophobicContact CG-CE2 4.37Å; P60-Y63 HydrophobicContact CG-CG 4.18Å; P60-Y63 PolarHBondContact O-N 3.02Å; P60-Y63 VanDerWaalsContact O-N 3.11Å; A61-Y63 PolarHBondContact O-N 3Å
64	L	87.6	Confident	73.9	Confident	13 Å²	13	77.8 Å²	77.8	7%	0.068	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.3	-170.9	-62.3	-170.9	0	0	0	111.6	Y15 V16 A17 F31 L37 V39 W48 V59 A61	Y15-L64 HydrophobicContact CD1-CB 3.92Å; Y15-L64 HydrophobicContact CG-CB 4.36Å; V16-L64 WeakPolarHBondContact O-CA 3.31Å; A17-L64 HydrophobicContact CB-CD2 4.23Å; F31-L64 HydrophobicContact CE2-CD2 4.22Å; F31-L64 HydrophobicContact CZ-CD2 4.23Å; L37-L64 HydrophobicContact CD1-CD2 3.7Å; L37-L64 HydrophobicContact CD2-CD1 4.48Å; L37-L64 HydrophobicContact CD2-CD2 4.2Å; L37-L64 HydrophobicContact CG-CD2 4.38Å; V39-L64 HydrophobicContact CG2-CD1 3.92Å; W48-L64 HydrophobicContact CE3-CD1 4.19Å; W48-L64 HydrophobicContact CZ3-CB 4.18Å; V59-L64 HydrophobicContact CB-CD1 4.33Å; V59-L64 HydrophobicContact CG2-CD1 3.55Å; A61-L64 PolarHBondContact O-N 2.8Å; A61-L64 VanDerWaalsContact O-N 3.12Å
65	R	87.7	Confident	71.8	Confident	149 Å²	149	79.2 Å²	79.2	56%	0.562	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.9	172.7	-175	-175.8	70.3	174.1	2.8	111.2	Y15 V16 L18 D67	Y15-R65 CarbonylContact C-O 3.55Å; Y15-R65 WeakPolarHBondContact CA-O 3.46Å; V16-R65 PolarHBondContact N-O 2.85Å; V16-R65 PolarHBondContact O-N 2.85Å; L18-R65 HydrophobicContact CD1-CB 4.14Å; L18-R65 HydrophobicContact CD2-CB 3.83Å; L18-R65 HydrophobicContact CG-CB 4.1Å; R65-D67 PolarHBondContact O-N 3.17Å
66	L	86.8	Confident	69.6	Low	66 Å²	66	80 Å²	80	35%	0.346	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	130.8	-179.3	-170.2	72	0	0	0	111.4	E13 Y15	E13-L66 HydrophobicContact CB-CD1 3.89Å; E13-L66 HydrophobicContact CG-CD1 4.33Å; Y15-L66 HydrophobicContact CD1-CB 4.32Å; Y15-L66 HydrophobicContact CD2-CD1 3.97Å; Y15-L66 HydrophobicContact CE1-CB 3.94Å; Y15-L66 HydrophobicContact CE1-CD1 4.31Å; Y15-L66 HydrophobicContact CE2-CD1 3.5Å; Y15-L66 VanDerWaalsContact CE2-CD1 3.5Å
67	D	76.7	Confident	67.4	Low	60 Å²	60	83.6 Å²	83.6	32%	0.321	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	125.2	179.4	-166.9	25.6	0	0	0	110.2	E14 V16 K36 R65	E14-D67 HydrophobicContact CB-CB 4.25Å; E14-D67 HydrophobicContact CG-CB 4.24Å; E14-D67 WeakPolarHBondContact O-CB 3.39Å; E14-D67 PolarHBondContact O-N 3.12Å; V16-D67 HydrophobicContact CG2-CB 3.84Å; K36-D67 WeakPolarHBondContact CE-OD2 3.45Å; K36-D67 IonicContact NZ-OD1 2.76Å; K36-D67 IonicContact NZ-OD2 2.91Å; K36-D67 PolarHBondContact NZ-OD2 2.83Å; R65-D67 PolarHBondContact O-N 3.17Å
68	G	64.9	Low	66.2	Low	67 Å²	67	90.2 Å²	90.2	69%	0.691	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	10.5	-179.7	0	0	0	0	0	116.4	E70	G68-E70 PolarHBondContact O-N 3.19Å
69	A	52.9	Low	65.9	Low	68 Å²	68	89 Å²	89	56%	0.562	51%	0.508	S	S	*	.			trans	-62.5	106	162.5	0	0	0	0	0	109.1
70	E	42.5	Very low	65.8	Low	182 Å²	182	91.7 Å²	91.7	85%	0.85	53%	0.526	S	S	*	.			trans	-59.7	140.8	172.3	-70.1	-170.9	165	0	0	109.6	G68 G72	G68-E70 PolarHBondContact O-N 3.19Å; E70-G72 PolarHBondContact O-N 3Å
71	E	46.8	Very low	66	Low	207 Å²	207	93.8 Å²	93.8	97%	0.967	53%	0.532	S	S	*	.	S	Bend	trans	-64.5	81.9	171.4	-70.2	177.7	166.5	0	0	109.3
72	G	39.4	Very low	66.3	Low	62 Å²	62	95.6 Å²	95.6	64%	0.639	54%	0.539	S	S	*	.	S	Bend	trans	-173.4	91.6	-175.3	0	0	0	0	0	115.6	E70 D74	E70-G72 PolarHBondContact O-N 3Å; G72-D74 PolarHBondContact O-N 3.46Å
73	D	43.4	Very low	66.7	Low	174 Å²	174	94.6 Å²	94.6	93%	0.93	53%	0.531	S	S	*	.	S	Bend	trans	76.3	10.2	137.7	-106.5	13.6	0	0	0	123.8
74	D	38.2	Very low	66.8	Low	167 Å²	167	99.7 Å²	99.7	89%	0.893	56%	0.561	S	S	*	*	S	Bend	trans	-153.4	51.4	162.4	-154.4	12.1	0	0	0	114.7	G72	G72-D74 PolarHBondContact O-N 3.46Å
75	A	40.1	Very low	66.9	Low	85 Å²	85	105.9 Å²	105.9	70%	0.702	59%	0.59	S	S	*	*	S	Bend	trans	-143.3	121.1	154.2	0	0	0	0	0	105.3	L77	A75-L77 PolarHBondContact O-N 3.29Å
76	S	44.6	Very low	67.1	Low	105 Å²	105	99.9 Å²	99.9	73%	0.734	57%	0.567	S	S	*	*			trans	-46.7	111.1	161.4	48.6	0	0	0	0	106.5	E78	S76-E78 VanDerWaalsContact C-N 3.29Å; S76-E78 PolarHBondContact O-N 3.25Å
77	L	46.8	Very low	67.3	Low	168 Å²	168	99 Å²	99	88%	0.88	56%	0.561	S	S	*	*			trans	-44.9	108.4	159.1	-71	159.6	0	0	0	104	A75 D79	A75-L77 PolarHBondContact O-N 3.29Å; L77-D79 PolarHBondContact O-N 2.93Å
78	E	66.1	Low	68	Low	139 Å²	139	98.2 Å²	98.2	65%	0.65	57%	0.567	S	S	*	*			trans	-61	101.2	-179	-79.4	-178.8	158.7	0	0	105.1	S76 P80 W385	S76-E78 VanDerWaalsContact C-N 3.29Å; S76-E78 PolarHBondContact O-N 3.25Å; E78-P80 WeakPolarHBondContact O-CD 3.49Å; E78-W385 HydrophobicContact CB-CH2 3.57Å; E78-W385 HydrophobicContact CB-CZ3 4.03Å; E78-W385 HydrophobicContact CG-CH2 3.99Å; E78-W385 WeakPolarHBondContact OE2-CH2 3.4Å; E78-W385 VanDerWaalsContact OE2-CZ2 3.27Å; E78-W385 WeakPolarHBondContact OE2-CZ2 3.5Å
79	D	84.9	Confident	69.1	Low	59 Å²	59	96.3 Å²	96.3	32%	0.316	54%	0.543	S	S	.	.			trans	-53.5	115	179.6	169.4	17.5	0	0	0	106	L77 W81 Q82 D83	L77-D79 PolarHBondContact O-N 2.93Å; D79-W81 PolarHBondContact O-N 3.43Å; D79-W81 PolarHBondContact OD1-N 3.2Å; D79-Q82 WeakPolarHBondContact O-CA 3.32Å; D79-Q82 PolarHBondContact O-N 3.26Å; D79-Q82 PolarHBondContact OD2-N 2.64Å; D79-D83 VanDerWaalsContact OD2-CB 3.24Å; D79-D83 WeakPolarHBondContact OD2-CB 3.37Å; D79-D83 PolarHBondContact OD2-N 3.18Å
80	P	89.6	Confident	71	Confident	57 Å²	57	94.8 Å²	94.8	37%	0.37	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.6	-176.1	-24.5	34.7	0	0	0	112.5	E78 V384 W385 R386	E78-P80 WeakPolarHBondContact O-CD 3.49Å; P80-V384 WeakPolarHBondContact CB-O 3.39Å; P80-W385 CarbonylContact O-C 3.49Å; P80-W385 WeakPolarHBondContact O-CA 3.34Å; P80-R386 HydrophobicContact CB-CG 4.11Å; P80-R386 PolarHBondContact O-N 2.9Å
81	W	91.9	Very high	73.3	Confident	53 Å²	53	86.9 Å²	86.9	20%	0.201	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-10.6	174.4	-73.6	91.6	0	0	0	114.2	D79 D83 F205 E208 R381 R386 R387	D79-W81 PolarHBondContact O-N 3.43Å; D79-W81 PolarHBondContact OD1-N 3.2Å; W81-D83 WeakPolarHBondContact CB-OD1 3.37Å; W81-D83 PolarHBondContact O-N 3.14Å; W81-F205 HydrophobicContact CZ3-CB 4.46Å; W81-E208 HydrophobicContact CH2-CB 4.08Å; W81-E208 VanDerWaalsContact CH2-CD 3.47Å; W81-E208 HydrophobicContact CH2-CG 4.16Å; W81-E208 VanDerWaalsContact CH2-OE2 3.26Å; W81-E208 WeakPolarHBondContact CH2-OE2 3.35Å; W81-E208 WeakPolarHBondContact CZ2-OE1 3.42Å; W81-E208 WeakPolarHBondContact CZ2-OE2 3.46Å; W81-R381 VanDerWaalsContact CZ2-NH2 3.25Å; W81-R386 HydrophobicContact CD2-CB 3.73Å; W81-R386 HydrophobicContact CE3-CB 4.12Å; W81-R386 HydrophobicContact CG-CB 4.18Å; W81-R386 HydrophobicContact CH2-CB 4.4Å; W81-R386 HydrophobicContact CZ2-CB 3.98Å; W81-R386 HydrophobicContact CZ3-CB 4.44Å; W81-R387 HydrophobicContact CE3-CG 4Å; W81-R387 WeakPolarHBondContact O-CD 3.41Å; W81-R387 WeakPolarHBondContact O-CG 3.28Å; W81-R387 PolarHBondContact O-NE 3.17Å
82	Q	92.1	Very high	75.5	Confident	46 Å²	46	80.1 Å²	80.1	22%	0.215	46%	0.463	C	S	.	.			trans	52.1	39	179.4	-57.1	163	-93.9	0	0	111.8	D79 D84 E85 Y86 W385 H388	D79-Q82 WeakPolarHBondContact O-CA 3.32Å; D79-Q82 PolarHBondContact O-N 3.26Å; D79-Q82 PolarHBondContact OD2-N 2.64Å; Q82-D84 VanDerWaalsContact C-N 3.3Å; Q82-D84 PolarHBondContact O-N 2.9Å; Q82-E85 PolarHBondContact O-N 3.07Å; Q82-Y86 VanDerWaalsContact O-CB 3.26Å; Q82-Y86 WeakPolarHBondContact O-CB 3.33Å; Q82-Y86 PolarHBondContact O-N 3.47Å; Q82-W385 HydrophobicContact CG-CE3 3.89Å; Q82-W385 HydrophobicContact CG-CZ3 3.84Å; Q82-H388 PolarHBondContact OE1-CD2 3Å; Q82-H388 PolarHBondContact OE1-NE2 3.27Å; Q82-H388 VanDerWaalsContact OE1-NE2 3.14Å
83	D	91.5	Very high	78.2	Confident	15 Å²	15	82.9 Å²	82.9	8%	0.08	46%	0.463	C	S	.	.	H	α-helix	trans	-61.3	-37.8	-170.2	-83.1	-6.5	0	0	0	112	D79 W81 Y86 F87 R179 R387	D79-D83 VanDerWaalsContact OD2-CB 3.24Å; D79-D83 WeakPolarHBondContact OD2-CB 3.37Å; D79-D83 PolarHBondContact OD2-N 3.18Å; W81-D83 WeakPolarHBondContact CB-OD1 3.37Å; W81-D83 PolarHBondContact O-N 3.14Å; D83-Y86 PolarHBondContact O-N 2.83Å; D83-F87 HydrophobicContact CB-CD2 3.8Å; D83-F87 HydrophobicContact CB-CE2 3.71Å; D83-F87 WeakPolarHBondContact O-CB 3.26Å; D83-F87 WeakPolarHBondContact O-CD2 3.31Å; D83-F87 PolarHBondContact O-N 2.92Å; D83-R179 WeakPolarHBondContact OD2-CD 3.23Å; D83-R179 IonicContact OD2-CZ 3.09Å; D83-R179 IonicContact OD2-NE 3.06Å; D83-R179 IonicContact OD2-NH1 3.08Å; D83-R179 PolarHBondContact OD2-NH1 2.88Å; D83-R387 IonicContact OD1-CZ 3.94Å; D83-R387 IonicContact OD1-NE 3.24Å; D83-R387 IonicContact OD1-NH2 2.84Å; D83-R387 PolarHBondContact OD1-NH2 3.44Å
84	D	88.4	Confident	80.6	Confident	152 Å²	152	82 Å²	82	81%	0.813	45%	0.446	S	S	*	.	H	α-helix	trans	-61	-46.9	178.1	-77.8	-13.6	0	0	0	112	Q82 G88	Q82-D84 VanDerWaalsContact C-N 3.3Å; Q82-D84 PolarHBondContact O-N 2.9Å; D84-G88 WeakPolarHBondContact O-CA 3.31Å; D84-G88 PolarHBondContact O-N 3.11Å
85	E	88.7	Confident	83.1	Confident	143 Å²	143	74.5 Å²	74.5	67%	0.668	41%	0.406	S	S	*	.	H	α-helix	trans	-68.7	-45.6	176.2	-174.9	-174.4	165.7	0	0	110.9	Q82 G88 S89	Q82-E85 PolarHBondContact O-N 3.07Å; E85-G88 PolarHBondContact O-N 2.91Å; E85-S89 WeakPolarHBondContact O-CB 3.26Å; E85-S89 PolarHBondContact O-N 3.3Å
86	Y	92.4	Very high	85.8	Confident	22 Å²	22	70.6 Å²	70.6	9%	0.086	37%	0.374	C	S	.	.	H	α-helix	trans	-58.1	-60.7	-178.3	-179.6	-104.1	0	0	0	111.3	Q82 D83 G88 S89 Y90 E204 R387	Q82-Y86 VanDerWaalsContact O-CB 3.26Å; Q82-Y86 WeakPolarHBondContact O-CB 3.33Å; Q82-Y86 PolarHBondContact O-N 3.47Å; D83-Y86 PolarHBondContact O-N 2.83Å; Y86-G88 VanDerWaalsContact C-N 3.31Å; Y86-G88 PolarHBondContact O-N 2.77Å; Y86-S89 PolarHBondContact O-N 2.99Å; Y86-S89 PolarHBondContact O-OG 2.96Å; Y86-Y90 HydrophobicContact CD2-CD2 4.4Å; Y86-Y90 HydrophobicContact CD2-CE2 4.17Å; Y86-Y90 HydrophobicContact CE1-CD2 4.21Å; Y86-Y90 HydrophobicContact CE1-CE2 4.3Å; Y86-Y90 HydrophobicContact CE2-CD2 4.07Å; Y86-Y90 AromaticContact CE2-CE2 3.53Å; Y86-Y90 HydrophobicContact CE2-CE2 3.53Å; Y86-Y90 AromaticContact CZ-CD2 3.96Å; Y86-Y90 AromaticContact CZ-CE2 3.59Å; Y86-Y90 WeakPolarHBondContact O-CD2 3.29Å; Y86-Y90 PolarHBondContact O-N 2.83Å; Y86-E204 HydrophobicContact CE2-CB 4.02Å; Y86-E204 HydrophobicContact CE2-CG 4.12Å; Y86-E204 VanDerWaalsContact CE2-OE2 3.29Å; Y86-E204 WeakPolarHBondContact CE2-OE2 3.46Å; Y86-E204 PolarHBondContact OH-OE2 2.95Å; Y86-R387 VanDerWaalsContact CD1-NH2 3.28Å; Y86-R387 VanDerWaalsContact CG-CZ 3.41Å
87	F	92.4	Very high	88.3	Confident	48 Å²	48	71 Å²	71	21%	0.211	37%	0.367	C	S	.	.	H	α-helix	trans	-70	-28.8	179.5	-62.3	-55.3	0	0	0	112.3	D83 S89 Y90 G91 A153 S154 R179	D83-F87 HydrophobicContact CB-CD2 3.8Å; D83-F87 HydrophobicContact CB-CE2 3.71Å; D83-F87 WeakPolarHBondContact O-CB 3.26Å; D83-F87 WeakPolarHBondContact O-CD2 3.31Å; D83-F87 PolarHBondContact O-N 2.92Å; F87-S89 VanDerWaalsContact C-N 3.31Å; F87-S89 PolarHBondContact O-N 2.83Å; F87-Y90 CarbonylContact O-C 3.6Å; F87-Y90 PolarHBondContact O-N 2.86Å; F87-G91 PolarHBondContact O-N 2.92Å; F87-A153 HydrophobicContact CD1-CB 3.67Å; F87-A153 HydrophobicContact CD2-CB 4.44Å; F87-A153 HydrophobicContact CE1-CB 3.37Å; F87-A153 HydrophobicContact CE2-CB 4.19Å; F87-A153 HydrophobicContact CG-CB 4.22Å; F87-A153 HydrophobicContact CZ-CB 3.66Å; F87-S154 WeakPolarHBondContact O-CB 3.31Å; F87-R179 HydrophobicContact CE2-CG 4.13Å; F87-R179 HydrophobicContact CZ-CG 4.17Å
88	G	89.8	Confident	90.7	Very high	44 Å²	44	66.8 Å²	66.8	45%	0.454	34%	0.343	S	S	.	.	H	α-helix	trans	-58.8	-42.3	170.8	0	0	0	0	0	112.1	D84 E85 Y86 G91	D84-G88 WeakPolarHBondContact O-CA 3.31Å; D84-G88 PolarHBondContact O-N 3.11Å; E85-G88 PolarHBondContact O-N 2.91Å; Y86-G88 VanDerWaalsContact C-N 3.31Å; Y86-G88 PolarHBondContact O-N 2.77Å; G88-G91 PolarHBondContact O-N 2.84Å
89	S	87.9	Confident	92.2	Very high	27 Å²	27	61.2 Å²	61.2	19%	0.189	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-42.1	176.8	81.6	0	0	0	0	112.5	E85 Y86 F87 G91 T92	E85-S89 WeakPolarHBondContact O-CB 3.26Å; E85-S89 PolarHBondContact O-N 3.3Å; Y86-S89 PolarHBondContact O-N 2.99Å; Y86-S89 PolarHBondContact O-OG 2.96Å; F87-S89 VanDerWaalsContact C-N 3.31Å; F87-S89 PolarHBondContact O-N 2.83Å; S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 3.42Å; S89-T92 PolarHBondContact O-N 3.03Å; S89-T92 PolarHBondContact O-OG1 3.31Å
90	Y	93.1	Very high	92.8	Very high	35 Å²	35	61.6 Å²	61.6	14%	0.137	32%	0.319	C	S	.	.	H	α-helix	trans	-75.2	-13.8	175.9	-79.6	-78.7	0	0	0	113.9	Y86 F87 T92 L95 H96 M99 E204	Y86-Y90 HydrophobicContact CD2-CD2 4.4Å; Y86-Y90 HydrophobicContact CD2-CE2 4.17Å; Y86-Y90 HydrophobicContact CE1-CD2 4.21Å; Y86-Y90 HydrophobicContact CE1-CE2 4.3Å; Y86-Y90 HydrophobicContact CE2-CD2 4.07Å; Y86-Y90 AromaticContact CE2-CE2 3.53Å; Y86-Y90 HydrophobicContact CE2-CE2 3.53Å; Y86-Y90 AromaticContact CZ-CD2 3.96Å; Y86-Y90 AromaticContact CZ-CE2 3.59Å; Y86-Y90 WeakPolarHBondContact O-CD2 3.29Å; Y86-Y90 PolarHBondContact O-N 2.83Å; F87-Y90 CarbonylContact O-C 3.6Å; F87-Y90 PolarHBondContact O-N 2.86Å; Y90-T92 PolarHBondContact O-N 2.91Å; Y90-L95 HydrophobicContact CD1-CB 4.34Å; Y90-L95 HydrophobicContact CD1-CD1 4.04Å; Y90-L95 HydrophobicContact CD2-CD1 4.22Å; Y90-L95 HydrophobicContact CE1-CB 4.27Å; Y90-L95 HydrophobicContact CE1-CD1 3.96Å; Y90-L95 HydrophobicContact CE2-CD1 4.1Å; Y90-L95 HydrophobicContact CG-CD1 4.18Å; Y90-H96 PolarHBondContact O-CD2 2.86Å; Y90-H96 VanDerWaalsContact O-CD2 3.3Å; Y90-H96 PolarHBondContact O-NE2 2.8Å; Y90-M99 HydrophobicContact CD1-CE 4.33Å; Y90-M99 HydrophobicContact CE1-CE 4Å; Y90-M99 HydrophobicContact CE1-SD 4.47Å; Y90-E204 PolarHBondContact OH-OE2 2.83Å
91	G	91.9	Very high	93.2	Very high	16 Å²	16	62.8 Å²	62.8	17%	0.165	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.2	170.6	0	0	0	0	0	113.7	F87 G88 S89 S155	F87-G91 PolarHBondContact O-N 2.92Å; G88-G91 PolarHBondContact O-N 2.84Å; S89-G91 VanDerWaalsContact C-N 3.31Å; S89-G91 PolarHBondContact O-N 3.42Å; G91-S155 WeakPolarHBondContact CA-OG 3.21Å
92	T	92.7	Very high	93.5	Very high	65 Å²	65	60.8 Å²	60.8	40%	0.399	32%	0.322	S	S	.	.	S	Bend	trans	-99.4	152.9	179.6	75	0	0	0	0	112.3	S89 Y90 R94 H96	S89-T92 PolarHBondContact O-N 3.03Å; S89-T92 PolarHBondContact O-OG1 3.31Å; Y90-T92 PolarHBondContact O-N 2.91Å; T92-R94 PolarHBondContact O-N 3.5Å; T92-R94 VanDerWaalsContact O-N 3.15Å; T92-H96 PolarHBondContact O-CD2 3.29Å
93	L	94.8	Very high	93.8	Very high	120 Å²	120	68.1 Å²	68.1	63%	0.628	35%	0.347	S	S	*	.	H	α-helix	trans	-68.3	-10.4	178.7	-73.7	175.5	0	0	0	114.7	L97 M156	L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 PolarHBondContact O-N 2.85Å; L93-M156 HydrophobicContact CD2-CE 3.88Å; L93-M156 HydrophobicContact CD2-SD 4.38Å; L93-M156 HydrophobicContact CG-CE 4.43Å
94	R	94.7	Very high	94.1	Very high	155 Å²	155	68.6 Å²	68.6	59%	0.585	35%	0.352	S	S	*	.	H	α-helix	trans	-61.3	-54.2	-172.6	-178.2	179.4	61	79.2	0.1	112.1	T92 L97 E98	T92-R94 PolarHBondContact O-N 3.5Å; T92-R94 VanDerWaalsContact O-N 3.15Å; R94-L97 PolarHBondContact O-N 3.09Å; R94-E98 PolarHBondContact O-N 3.24Å
95	L	90.4	Very high	94.6	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.052	32%	0.316	C	S	.	.	H	α-helix	trans	-69.9	-39.3	-179.8	-64.7	177.5	0	0	0	111.2	Y90 L97 E98 M99	Y90-L95 HydrophobicContact CD1-CB 4.34Å; Y90-L95 HydrophobicContact CD1-CD1 4.04Å; Y90-L95 HydrophobicContact CD2-CD1 4.22Å; Y90-L95 HydrophobicContact CE1-CB 4.27Å; Y90-L95 HydrophobicContact CE1-CD1 3.96Å; Y90-L95 HydrophobicContact CE2-CD1 4.1Å; Y90-L95 HydrophobicContact CG-CD1 4.18Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 3.13Å; L95-E98 WeakPolarHBondContact O-CB 3.28Å; L95-E98 PolarHBondContact O-N 3.25Å; L95-M99 WeakPolarHBondContact O-CG 3.48Å; L95-M99 PolarHBondContact O-N 2.91Å
96	H	97.4	Very high	95.1	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.019	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-37.5	176.6	-67.9	-68.3	0	0	0	113	Y90 T92 M99 L100 G131 T132	Y90-H96 PolarHBondContact O-CD2 2.86Å; Y90-H96 VanDerWaalsContact O-CD2 3.3Å; Y90-H96 PolarHBondContact O-NE2 2.8Å; T92-H96 PolarHBondContact O-CD2 3.29Å; H96-M99 HydrophobicContact CB-CE 4.44Å; H96-M99 VanDerWaalsContact ND1-CE 3.31Å; H96-M99 WeakPolarHBondContact ND1-CE 3.2Å; H96-M99 PolarHBondContact O-N 3.43Å; H96-L100 VanDerWaalsContact O-CB 3.3Å; H96-L100 WeakPolarHBondContact O-CB 3.3Å; H96-L100 VanDerWaalsContact O-CG 3.27Å; H96-L100 WeakPolarHBondContact O-CG 3.33Å; H96-L100 PolarHBondContact O-N 2.94Å; H96-G131 WeakPolarHBondContact CE1-CA 3.31Å; H96-T132 HydrophobicContact CB-CG2 3.76Å
97	L	97.3	Very high	95.4	Very high	113 Å²	113	58.8 Å²	58.8	59%	0.592	30%	0.303	S	S	*	.	H	α-helix	trans	-65.7	-42.3	174.7	177.6	62.9	0	0	0	111.3	L93 R94 L95 L100 S101	L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 PolarHBondContact O-N 2.85Å; R94-L97 PolarHBondContact O-N 3.09Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 3.13Å; L97-L100 PolarHBondContact O-N 3.4Å; L97-S101 WeakPolarHBondContact O-CB 3.39Å; L97-S101 PolarHBondContact O-N 3.19Å; L97-S101 PolarHBondContact O-OG 3.27Å
98	E	96.3	Very high	95.7	Very high	79 Å²	79	57.6 Å²	57.6	37%	0.369	30%	0.299	S	S	.	.	H	α-helix	trans	-58.9	-49.9	174.4	179.2	170.6	-142.9	0	0	110.9	R94 L95 L100 S101 D102 H353	R94-E98 PolarHBondContact O-N 3.24Å; L95-E98 WeakPolarHBondContact O-CB 3.28Å; L95-E98 PolarHBondContact O-N 3.25Å; E98-L100 PolarHBondContact O-N 2.87Å; E98-S101 PolarHBondContact O-N 3.19Å; E98-D102 PolarHBondContact O-N 2.86Å; E98-D102 VanDerWaalsContact O-N 3.09Å; E98-H353 HydrophobicContact CG-CB 3.64Å
99	M	97.8	Very high	96.1	Very high	22 Å²	22	55.7 Å²	55.7	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-38.4	178.4	-72.5	-170.6	-65.8	0	0	114.1	Y90 L95 H96 R105 T106	Y90-M99 HydrophobicContact CD1-CE 4.33Å; Y90-M99 HydrophobicContact CE1-CE 4Å; Y90-M99 HydrophobicContact CE1-SD 4.47Å; L95-M99 WeakPolarHBondContact O-CG 3.48Å; L95-M99 PolarHBondContact O-N 2.91Å; H96-M99 HydrophobicContact CB-CE 4.44Å; H96-M99 VanDerWaalsContact ND1-CE 3.31Å; H96-M99 WeakPolarHBondContact ND1-CE 3.2Å; H96-M99 PolarHBondContact O-N 3.43Å; M99-R105 PolarHBondContact O-NH1 2.94Å; M99-R105 VanDerWaalsContact O-NH1 3.08Å; M99-T106 PolarHBondContact O-OG1 3.44Å
100	L	97.9	Very high	96.6	Very high	67 Å²	67	58.2 Å²	58.2	35%	0.351	28%	0.284	S	S	.	.	H	α-helix	trans	-80.1	-28	179	-73	174.3	0	0	0	112.9	H96 L97 E98 D102 T132 I134	H96-L100 VanDerWaalsContact O-CB 3.3Å; H96-L100 WeakPolarHBondContact O-CB 3.3Å; H96-L100 VanDerWaalsContact O-CG 3.27Å; H96-L100 WeakPolarHBondContact O-CG 3.33Å; H96-L100 PolarHBondContact O-N 2.94Å; L97-L100 PolarHBondContact O-N 3.4Å; E98-L100 PolarHBondContact O-N 2.87Å; L100-D102 VanDerWaalsContact C-N 3.28Å; L100-T132 HydrophobicContact CD1-CG2 4.13Å; L100-I134 HydrophobicContact CD2-CB 3.84Å; L100-I134 HydrophobicContact CD2-CG1 3.98Å; L100-I134 HydrophobicContact CD2-CG2 3.78Å
101	S	98.1	Very high	96.9	Very high	83 Å²	83	60.6 Å²	60.6	58%	0.58	30%	0.296	S	S	*	.	H	α-helix	trans	-76.9	-20.2	175.3	-57.4	0	0	0	0	111.9	L97 E98 R103	L97-S101 WeakPolarHBondContact O-CB 3.39Å; L97-S101 PolarHBondContact O-N 3.19Å; L97-S101 PolarHBondContact O-OG 3.27Å; E98-S101 PolarHBondContact O-N 3.19Å; S101-R103 PolarHBondContact O-N 2.86Å
102	D	98.4	Very high	97.2	Very high	10 Å²	10	59.9 Å²	59.9	5%	0.053	29%	0.289	C	S	.	.			trans	-69.2	95.6	168	-171.9	-19.3	0	0	0	110.5	E98 L100 S104 R105 T106 T352 H353	E98-D102 PolarHBondContact O-N 2.86Å; E98-D102 VanDerWaalsContact O-N 3.09Å; L100-D102 VanDerWaalsContact C-N 3.28Å; D102-S104 PolarHBondContact OD1-N 3.4Å; D102-R105 HydrophobicContact CB-CB 3.96Å; D102-R105 WeakPolarHBondContact OD1-CB 3.31Å; D102-R105 PolarHBondContact OD1-N 3.46Å; D102-R105 WeakPolarHBondContact OD2-CB 3.39Å; D102-T106 VanDerWaalsContact O-CB 3.31Å; D102-T106 WeakPolarHBondContact O-CB 3.33Å; D102-T106 PolarHBondContact O-N 2.84Å; D102-T106 PolarHBondContact O-OG1 2.65Å; D102-T352 VanDerWaalsContact OD2-CA 3.29Å; D102-T352 WeakPolarHBondContact OD2-CA 3.49Å; D102-T352 WeakPolarHBondContact OD2-CB 3.4Å; D102-H353 HydrophobicContact CB-CB 4.27Å; D102-H353 IonicContact OD2-CE1 3.44Å; D102-H353 IonicContact OD2-CG 3.18Å; D102-H353 PolarHBondContact OD2-N 2.69Å; D102-H353 IonicContact OD2-ND1 3.81Å; D102-H353 PolarHBondContact OD2-ND1 2.8Å
103	R	98.3	Very high	97.5	Very high	200 Å²	200	56.9 Å²	56.9	76%	0.755	27%	0.27	S	S	*	.	H	α-helix	trans	-68.9	-38	-179.3	-172.9	179.3	179.5	-161.9	-2.8	112.4	S101 T106 E107	S101-R103 PolarHBondContact O-N 2.86Å; R103-T106 PolarHBondContact O-N 2.68Å; R103-E107 VanDerWaalsContact O-CB 3.22Å; R103-E107 WeakPolarHBondContact O-CB 3.48Å; R103-E107 PolarHBondContact O-N 3.09Å
104	S	97.8	Very high	97.7	Very high	25 Å²	25	54 Å²	54	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-48.1	-179.4	179.3	0	0	0	0	109.9	D102 T108	D102-S104 PolarHBondContact OD1-N 3.4Å; S104-T108 WeakPolarHBondContact O-CB 3.4Å; S104-T108 PolarHBondContact O-N 3.01Å; S104-T108 PolarHBondContact O-OG1 2.87Å
105	R	98.8	Very high	97.8	Very high	18 Å²	18	49.1 Å²	49.1	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-58.7	170.6	176.1	-166.5	173.9	-91.8	-2.9	112	M99 D102 T108 Y109 E195 W354	M99-R105 PolarHBondContact O-NH1 2.94Å; M99-R105 VanDerWaalsContact O-NH1 3.08Å; D102-R105 HydrophobicContact CB-CB 3.96Å; D102-R105 WeakPolarHBondContact OD1-CB 3.31Å; D102-R105 PolarHBondContact OD1-N 3.46Å; D102-R105 WeakPolarHBondContact OD2-CB 3.39Å; R105-T108 PolarHBondContact O-N 2.64Å; R105-Y109 WeakPolarHBondContact O-CD2 3.44Å; R105-Y109 PolarHBondContact O-N 2.96Å; R105-E195 IonicContact CZ-OE2 2.67Å; R105-E195 IonicContact NE-OE2 3.65Å; R105-E195 PolarHBondContact NE-OE2 2.87Å; R105-E195 IonicContact NH2-OE2 3.89Å; R105-E195 PolarHBondContact NH2-OE2 3.05Å; R105-W354 HydrophobicContact CB-CH2 4.39Å; R105-W354 HydrophobicContact CB-CZ3 4.01Å; R105-W354 HydrophobicContact CG-CH2 3.81Å; R105-W354 HydrophobicContact CG-CZ3 3.95Å
106	T	98.8	Very high	98.1	Very high	20 Å²	20	48.7 Å²	48.7	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-40.4	-167.3	-57.1	0	0	0	0	112.3	M99 D102 R103 T108 Y109 R110 I134 F138	M99-T106 PolarHBondContact O-OG1 3.44Å; D102-T106 VanDerWaalsContact O-CB 3.31Å; D102-T106 WeakPolarHBondContact O-CB 3.33Å; D102-T106 PolarHBondContact O-N 2.84Å; D102-T106 PolarHBondContact O-OG1 2.65Å; R103-T106 PolarHBondContact O-N 2.68Å; T106-T108 VanDerWaalsContact C-N 3.34Å; T106-Y109 PolarHBondContact O-N 3.15Å; T106-R110 PolarHBondContact O-N 3.5Å; T106-I134 HydrophobicContact CG2-CG1 4.28Å; T106-F138 HydrophobicContact CG2-CE2 4.08Å; T106-F138 HydrophobicContact CG2-CZ 4.02Å
107	E	98.6	Very high	98.2	Very high	74 Å²	74	50.4 Å²	50.4	35%	0.346	26%	0.257	S	S	.	.	H	α-helix	trans	-71.3	-30.3	177.9	-166.3	63.2	-144.6	0	0	111.6	R103 R110 Q111	R103-E107 VanDerWaalsContact O-CB 3.22Å; R103-E107 WeakPolarHBondContact O-CB 3.48Å; R103-E107 PolarHBondContact O-N 3.09Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 3.18Å; E107-R110 WeakPolarHBondContact OE1-CD 3.46Å; E107-R110 IonicContact OE1-CZ 2.64Å; E107-R110 IonicContact OE1-NH1 3.1Å; E107-R110 PolarHBondContact OE1-NH1 2.61Å; E107-Q111 WeakPolarHBondContact O-CB 3.49Å; E107-Q111 PolarHBondContact O-N 3.06Å
108	T	98.8	Very high	98.1	Very high	22 Å²	22	48.4 Å²	48.4	14%	0.135	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-48.9	173.6	-67.3	0	0	0	0	111.5	S104 R105 T106 R110 Q111 V112 F331 V341 L343	S104-T108 WeakPolarHBondContact O-CB 3.4Å; S104-T108 PolarHBondContact O-N 3.01Å; S104-T108 PolarHBondContact O-OG1 2.87Å; R105-T108 PolarHBondContact O-N 2.64Å; T106-T108 VanDerWaalsContact C-N 3.34Å; T108-R110 VanDerWaalsContact C-N 3.29Å; T108-R110 PolarHBondContact O-N 2.73Å; T108-Q111 WeakPolarHBondContact O-CB 3.47Å; T108-Q111 PolarHBondContact O-N 3.45Å; T108-Q111 VanDerWaalsContact O-N 3.1Å; T108-V112 WeakPolarHBondContact O-CG2 3.21Å; T108-V112 PolarHBondContact O-N 2.87Å; T108-F331 HydrophobicContact CG2-CD2 4.47Å; T108-F331 HydrophobicContact CG2-CE2 4.01Å; T108-V341 HydrophobicContact CG2-CG1 3.79Å; T108-L343 HydrophobicContact CG2-CB 3.75Å
109	Y	98.9	Very high	98.2	Very high	4 Å²	4	46 Å²	46	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-39.7	173.8	-84.3	-89	0	0	0	112.1	R105 T106 Q111 V112 I113 I135 V193 S194 E195 F331 L343	R105-Y109 WeakPolarHBondContact O-CD2 3.44Å; R105-Y109 PolarHBondContact O-N 2.96Å; T106-Y109 PolarHBondContact O-N 3.15Å; Y109-Q111 VanDerWaalsContact C-N 3.32Å; Y109-Q111 PolarHBondContact O-N 3.15Å; Y109-V112 WeakPolarHBondContact O-CB 3.45Å; Y109-V112 PolarHBondContact O-N 2.81Å; Y109-I113 WeakPolarHBondContact O-CG1 3.49Å; Y109-I113 PolarHBondContact O-N 3Å; Y109-I135 HydrophobicContact CD1-CD1 3.52Å; Y109-I135 HydrophobicContact CD1-CG1 4.08Å; Y109-I135 HydrophobicContact CE1-CD1 3.84Å; Y109-I135 HydrophobicContact CG-CD1 3.99Å; Y109-I135 HydrophobicContact CG-CG1 4.28Å; Y109-V193 HydrophobicContact CD1-CG2 4.13Å; Y109-V193 HydrophobicContact CE1-CG2 3.92Å; Y109-S194 PolarHBondContact OH-O 3.24Å; Y109-E195 HydrophobicContact CD2-CG 4.38Å; Y109-E195 HydrophobicContact CE1-CB 4.27Å; Y109-E195 HydrophobicContact CE2-CB 3.94Å; Y109-E195 HydrophobicContact CE2-CG 3.44Å; Y109-E195 VanDerWaalsContact CE2-CG 3.44Å; Y109-E195 WeakPolarHBondContact OH-CA 3.45Å; Y109-E195 WeakPolarHBondContact OH-CB 3.44Å; Y109-E195 WeakPolarHBondContact OH-CG 3.36Å; Y109-F331 HydrophobicContact CD1-CE1 4.29Å; Y109-F331 AromaticContact CE1-CE1 3.67Å; Y109-F331 HydrophobicContact CE1-CE1 3.67Å; Y109-F331 AromaticContact CE1-CZ 3.95Å; Y109-F331 HydrophobicContact CE1-CZ 3.95Å; Y109-F331 AromaticContact CE2-CZ 4Å; Y109-F331 HydrophobicContact CE2-CZ 4Å; Y109-F331 AromaticContact CZ-CE1 3.81Å; Y109-F331 AromaticContact CZ-CZ 3.64Å; Y109-L343 HydrophobicContact CE2-CD2 4.37Å
110	R	98.8	Very high	98.2	Very high	81 Å²	81	45.1 Å²	45.1	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-58.9	-44.1	173.6	-167.5	174.2	173.1	-80.6	-9.6	111.8	T106 E107 T108 I113 V114 F138 L142	T106-R110 PolarHBondContact O-N 3.5Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 3.18Å; E107-R110 WeakPolarHBondContact OE1-CD 3.46Å; E107-R110 IonicContact OE1-CZ 2.64Å; E107-R110 IonicContact OE1-NH1 3.1Å; E107-R110 PolarHBondContact OE1-NH1 2.61Å; T108-R110 VanDerWaalsContact C-N 3.29Å; T108-R110 PolarHBondContact O-N 2.73Å; R110-I113 PolarHBondContact O-N 2.91Å; R110-V114 WeakPolarHBondContact O-CG2 3.25Å; R110-V114 PolarHBondContact O-N 2.87Å; R110-F138 HydrophobicContact CB-CD2 3.82Å; R110-F138 HydrophobicContact CB-CE1 4.43Å; R110-F138 HydrophobicContact CB-CE2 3.52Å; R110-F138 HydrophobicContact CB-CG 4.4Å; R110-F138 HydrophobicContact CB-CZ 3.86Å; R110-F138 HydrophobicContact CG-CD1 4.12Å; R110-F138 HydrophobicContact CG-CD2 4.09Å; R110-F138 HydrophobicContact CG-CE1 4Å; R110-F138 HydrophobicContact CG-CE2 3.97Å; R110-F138 HydrophobicContact CG-CG 4.16Å; R110-F138 HydrophobicContact CG-CZ 3.92Å; R110-L142 HydrophobicContact CG-CD1 3.73Å
111	Q	98.6	Very high	98.2	Very high	85 Å²	85	48.1 Å²	48.1	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-66.9	-35.5	179.2	-174.5	59.8	30.6	0	0	112.1	E107 T108 Y109 I113 V114 S115 V341	E107-Q111 WeakPolarHBondContact O-CB 3.49Å; E107-Q111 PolarHBondContact O-N 3.06Å; T108-Q111 WeakPolarHBondContact O-CB 3.47Å; T108-Q111 PolarHBondContact O-N 3.45Å; T108-Q111 VanDerWaalsContact O-N 3.1Å; Y109-Q111 VanDerWaalsContact C-N 3.32Å; Y109-Q111 PolarHBondContact O-N 3.15Å; Q111-I113 VanDerWaalsContact C-N 3.34Å; Q111-V114 PolarHBondContact O-N 3.06Å; Q111-S115 PolarHBondContact NE2-OG 3.38Å; Q111-S115 VanDerWaalsContact O-CB 3.25Å; Q111-S115 WeakPolarHBondContact O-CB 3.34Å; Q111-S115 PolarHBondContact O-N 3.08Å; Q111-S115 PolarHBondContact O-OG 3.44Å; Q111-V341 HydrophobicContact CG-CG2 4.5Å
112	V	98.6	Very high	98.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-56.9	-49.1	171.6	173.3	0	0	0	0	110.1	T108 Y109 N116 W225 F331 V341	T108-V112 WeakPolarHBondContact O-CG2 3.21Å; T108-V112 PolarHBondContact O-N 2.87Å; Y109-V112 WeakPolarHBondContact O-CB 3.45Å; Y109-V112 PolarHBondContact O-N 2.81Å; V112-N116 WeakPolarHBondContact O-CB 3.31Å; V112-N116 PolarHBondContact O-N 2.68Å; V112-N116 PolarHBondContact O-ND2 2.88Å; V112-W225 HydrophobicContact CG1-CD2 3.65Å; V112-W225 HydrophobicContact CG1-CE3 3.73Å; V112-W225 HydrophobicContact CG1-CG 4.23Å; V112-W225 HydrophobicContact CG1-CH2 4.1Å; V112-W225 HydrophobicContact CG1-CZ2 4.01Å; V112-W225 HydrophobicContact CG1-CZ3 3.95Å; V112-F331 HydrophobicContact CG1-CB 4.09Å; V112-F331 HydrophobicContact CG1-CD1 4.21Å; V112-F331 HydrophobicContact CG1-CG 4.33Å; V112-F331 HydrophobicContact CG2-CB 3.59Å; V112-F331 HydrophobicContact CG2-CD1 3.77Å; V112-F331 HydrophobicContact CG2-CD2 3.65Å; V112-F331 HydrophobicContact CG2-CE1 4.35Å; V112-F331 HydrophobicContact CG2-CE2 4.25Å; V112-F331 HydrophobicContact CG2-CG 3.39Å; V112-V341 HydrophobicContact CG2-CB 3.85Å; V112-V341 HydrophobicContact CG2-CG1 3.89Å; V112-V341 HydrophobicContact CG2-CG2 4.26Å
113	I	98.7	Very high	98.3	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-46.5	178.8	-58	-48.2	0	0	0	111.4	Y109 R110 Q111 S115 N116 S117 L120 F138 C139 L142 A143 W225	Y109-I113 WeakPolarHBondContact O-CG1 3.49Å; Y109-I113 PolarHBondContact O-N 3Å; R110-I113 PolarHBondContact O-N 2.91Å; Q111-I113 VanDerWaalsContact C-N 3.34Å; I113-S115 PolarHBondContact O-N 2.84Å; I113-N116 CarbonylContact O-C 3.6Å; I113-N116 PolarHBondContact O-N 3.4Å; I113-S117 WeakPolarHBondContact O-CA 3.28Å; I113-S117 PolarHBondContact O-N 2.82Å; I113-L120 HydrophobicContact CD1-CD1 4.17Å; I113-L120 HydrophobicContact CG2-CD1 3.99Å; I113-F138 HydrophobicContact CB-CB 4.37Å; I113-F138 HydrophobicContact CG1-CB 4.07Å; I113-F138 HydrophobicContact CG2-CB 4.41Å; I113-C139 WeakPolarHBondContact CD1-SG 3.47Å; I113-L142 HydrophobicContact CG2-CB 4.2Å; I113-A143 HydrophobicContact CG2-CB 4.26Å; I113-W225 HydrophobicContact CD1-CE3 4.48Å; I113-W225 HydrophobicContact CD1-CZ3 4.02Å
114	V	98.1	Very high	98.3	Very high	59 Å²	59	43 Å²	43	36%	0.358	23%	0.23	S	C	.	.	H	α-helix	trans	-60.9	-46.2	-179.7	169.7	0	0	0	0	111.4	R110 Q111 N116 S117 L142	R110-V114 WeakPolarHBondContact O-CG2 3.25Å; R110-V114 PolarHBondContact O-N 2.87Å; Q111-V114 PolarHBondContact O-N 3.06Å; V114-N116 PolarHBondContact O-N 3.48Å; V114-S117 WeakPolarHBondContact O-CB 3.47Å; V114-S117 PolarHBondContact O-N 3.02Å; V114-L142 HydrophobicContact CG2-CB 4.4Å; V114-L142 HydrophobicContact CG2-CD1 3.83Å
115	S	97.3	Very high	98.3	Very high	53 Å²	53	41.9 Å²	41.9	37%	0.371	22%	0.222	S	C	.	.	H	α-helix	trans	-66.3	-23.3	-177.8	-52.8	0	0	0	0	112.6	Q111 I113	Q111-S115 PolarHBondContact NE2-OG 3.38Å; Q111-S115 VanDerWaalsContact O-CB 3.25Å; Q111-S115 WeakPolarHBondContact O-CB 3.34Å; Q111-S115 PolarHBondContact O-N 3.08Å; Q111-S115 PolarHBondContact O-OG 3.44Å; I113-S115 PolarHBondContact O-N 2.84Å
116	N	98.2	Very high	98.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	9.6	-179.2	-65.6	-76.9	0	0	0	113.3	V112 I113 V114 A118 S119 L120 W225 S333 L334	V112-N116 WeakPolarHBondContact O-CB 3.31Å; V112-N116 PolarHBondContact O-N 2.68Å; V112-N116 PolarHBondContact O-ND2 2.88Å; I113-N116 CarbonylContact O-C 3.6Å; I113-N116 PolarHBondContact O-N 3.4Å; V114-N116 PolarHBondContact O-N 3.48Å; N116-A118 VanDerWaalsContact C-N 3.31Å; N116-A118 PolarHBondContact O-N 2.81Å; N116-S119 PolarHBondContact O-N 2.81Å; N116-L120 HydrophobicContact CB-CD1 4.36Å; N116-L120 HydrophobicContact CB-CG 4.4Å; N116-L120 WeakPolarHBondContact O-CG 3.36Å; N116-L120 PolarHBondContact O-N 2.93Å; N116-W225 HydrophobicContact CB-CH2 3.66Å; N116-W225 HydrophobicContact CB-CZ2 4.03Å; N116-S333 WeakPolarHBondContact OD1-CA 3.47Å; N116-S333 PolarHBondContact OD1-OG 3.22Å; N116-S333 VanDerWaalsContact OD1-OG 3.12Å; N116-L334 HydrophobicContact CB-CD1 4.09Å; N116-L334 HydrophobicContact CB-CG 4.09Å; N116-L334 PolarHBondContact OD1-N 2.95Å
117	S	97.6	Very high	98.3	Very high	40 Å²	40	40.2 Å²	40.2	28%	0.28	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-41.4	-171.4	171.3	0	0	0	0	113.8	I113 V114 L142 A143	I113-S117 WeakPolarHBondContact O-CA 3.28Å; I113-S117 PolarHBondContact O-N 2.82Å; V114-S117 WeakPolarHBondContact O-CB 3.47Å; V114-S117 PolarHBondContact O-N 3.02Å; S117-L142 WeakPolarHBondContact CB-O 3.26Å; S117-L142 PolarHBondContact OG-O 2.6Å; S117-A143 WeakPolarHBondContact OG-CA 3.49Å
118	A	97.1	Very high	98.4	Very high	70 Å²	70	37 Å²	37	58%	0.579	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-40.4	178.2	0	0	0	0	0	112.4	N116 R121	N116-A118 VanDerWaalsContact C-N 3.31Å; N116-A118 PolarHBondContact O-N 2.81Å; A118-R121 VanDerWaalsContact O-CB 3.28Å; A118-R121 WeakPolarHBondContact O-CB 3.25Å; A118-R121 PolarHBondContact O-N 3.31Å
119	S	97.4	Very high	98.3	Very high	30 Å²	30	37.4 Å²	37.4	21%	0.21	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-19.5	-178.2	-72.1	0	0	0	0	113.7	N116 R121 K123 L334 E335	N116-S119 PolarHBondContact O-N 2.81Å; S119-R121 PolarHBondContact O-N 2.92Å; S119-K123 WeakPolarHBondContact O-CE 3.32Å; S119-K123 WeakPolarHBondContact O-CG 3.14Å; S119-L334 VanDerWaalsContact CB-CB 3.49Å; S119-E335 VanDerWaalsContact OG-CG 3.24Å; S119-E335 WeakPolarHBondContact OG-CG 3.47Å; S119-E335 PolarHBondContact OG-OE1 2.89Å
120	L	98.1	Very high	98.3	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.7	170.5	-77	170.4	0	0	0	113.3	I113 N116 D122 K123 V125 A143 P145 I191 W225 L334	I113-L120 HydrophobicContact CD1-CD1 4.17Å; I113-L120 HydrophobicContact CG2-CD1 3.99Å; N116-L120 HydrophobicContact CB-CD1 4.36Å; N116-L120 HydrophobicContact CB-CG 4.4Å; N116-L120 WeakPolarHBondContact O-CG 3.36Å; N116-L120 PolarHBondContact O-N 2.93Å; L120-D122 PolarHBondContact O-N 2.91Å; L120-K123 WeakPolarHBondContact O-CB 3.46Å; L120-K123 PolarHBondContact O-N 3.06Å; L120-V125 HydrophobicContact CD2-CG2 4.15Å; L120-A143 HydrophobicContact CB-CB 3.82Å; L120-A143 HydrophobicContact CD1-CB 3.91Å; L120-P145 VanDerWaalsContact O-CA 3.31Å; L120-P145 WeakPolarHBondContact O-CA 3.43Å; L120-I191 HydrophobicContact CD2-CG1 3.95Å; L120-W225 HydrophobicContact CD1-CH2 4.34Å; L120-W225 HydrophobicContact CD1-CZ3 4.31Å; L120-W225 HydrophobicContact CD2-CH2 4.12Å; L120-W225 HydrophobicContact CD2-CZ3 4.04Å; L120-W225 HydrophobicContact CG-CH2 4.35Å; L120-L334 HydrophobicContact CD2-CD1 3.86Å; L120-L334 HydrophobicContact CG-CD1 3.9Å
121	R	98.3	Very high	98.3	Very high	131 Å²	131	34 Å²	34	49%	0.494	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	131.8	178.3	-179.3	-178.2	-63.7	-88.9	-0.6	111.2	A118 S119 K123 K144	A118-R121 VanDerWaalsContact O-CB 3.28Å; A118-R121 WeakPolarHBondContact O-CB 3.25Å; A118-R121 PolarHBondContact O-N 3.31Å; S119-R121 PolarHBondContact O-N 2.92Å; R121-K123 PolarHBondContact O-N 2.92Å; R121-K123 VanDerWaalsContact O-N 3.12Å; R121-K144 CarbonylContact C-O 3.56Å; R121-K144 VanDerWaalsContact CA-O 3.3Å; R121-K144 WeakPolarHBondContact CA-O 3.36Å
122	D	98.4	Very high	98.3	Very high	119 Å²	119	30.7 Å²	30.7	64%	0.636	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	18.8	178.2	-51.2	-39.3	0	0	0	113.5	L120 K144 S146	L120-D122 PolarHBondContact O-N 2.91Å; D122-K144 PolarHBondContact N-O 3.35Å; D122-S146 PolarHBondContact O-OG 3.38Å
123	K	98.6	Very high	98.3	Very high	60 Å²	60	30.6 Å²	30.6	26%	0.261	18%	0.182	S	C	.	.			trans	-88.7	147.1	176.2	-62.2	-60.8	-176.2	-178.7	0	112.4	S119 L120 R121 P145 S146 D190	S119-K123 WeakPolarHBondContact O-CE 3.32Å; S119-K123 WeakPolarHBondContact O-CG 3.14Å; L120-K123 WeakPolarHBondContact O-CB 3.46Å; L120-K123 PolarHBondContact O-N 3.06Å; R121-K123 PolarHBondContact O-N 2.92Å; R121-K123 VanDerWaalsContact O-N 3.12Å; K123-P145 CarbonylContact O-C 3.49Å; K123-P145 VanDerWaalsContact O-CA 3.31Å; K123-P145 WeakPolarHBondContact O-CA 3.38Å; K123-P145 WeakPolarHBondContact O-CB 3.41Å; K123-S146 PolarHBondContact O-N 3.43Å; K123-S146 PolarHBondContact O-OG 3.37Å; K123-S146 VanDerWaalsContact O-OG 3.08Å; K123-D190 WeakPolarHBondContact CA-OD2 3.45Å; K123-D190 HydrophobicContact CB-CB 4.25Å; K123-D190 WeakPolarHBondContact CB-OD2 3.48Å; K123-D190 HydrophobicContact CD-CB 3.87Å; K123-D190 WeakPolarHBondContact CD-OD2 3.39Å
124	V	98.8	Very high	98.3	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.036	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124	168.1	-175.3	0	0	0	0	108.8	S146 M147 Y149 E187 V189 D190 I191	V124-S146 WeakPolarHBondContact CG2-OG 3.19Å; V124-M147 WeakPolarHBondContact CA-O 3.43Å; V124-M147 HydrophobicContact CG1-CB 4.35Å; V124-Y149 HydrophobicContact CG1-CD2 4.02Å; V124-Y149 HydrophobicContact CG1-CE2 3.66Å; V124-E187 HydrophobicContact CG1-CG 4.39Å; V124-V189 HydrophobicContact CG1-CB 4.16Å; V124-V189 HydrophobicContact CG1-CG1 3.74Å; V124-D190 PolarHBondContact N-OD2 2.98Å; V124-D190 WeakPolarHBondContact O-CB 3.21Å; V124-D190 PolarHBondContact O-N 3.15Å; V124-I191 PolarHBondContact O-N 3.15Å
125	V	98.9	Very high	98.4	Very high	1 Å²	1	30 Å²	30	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.6	-177.5	-176.3	0	0	0	0	110.1	L120 P145 M147 V148 Y149 I191 V193	L120-V125 HydrophobicContact CD2-CG2 4.15Å; V125-P145 HydrophobicContact CG2-CB 4.16Å; V125-M147 PolarHBondContact N-O 3.4Å; V125-V148 HydrophobicContact CB-CG1 4.48Å; V125-V148 HydrophobicContact CB-CG2 4.27Å; V125-V148 CarbonylContact O-C 3.59Å; V125-V148 VanDerWaalsContact O-CA 3.32Å; V125-V148 WeakPolarHBondContact O-CA 3.36Å; V125-Y149 PolarHBondContact O-N 3.39Å; V125-I191 CarbonylContact C-O 3.52Å; V125-I191 WeakPolarHBondContact CA-O 3.42Å; V125-I191 HydrophobicContact CG1-CB 4.27Å; V125-I191 HydrophobicContact CG1-CG2 4.41Å; V125-I191 HydrophobicContact CG2-CB 4.2Å; V125-I191 HydrophobicContact CG2-CG1 4.32Å; V125-V193 HydrophobicContact CG1-CG1 3.84Å
126	M	98.8	Very high	98.5	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.7	164.7	180	169.9	174.8	0	0	109.2	L128 Y149 V151 L185 V189 I191 V193 A213 W217	M126-L128 HydrophobicContact CE-CB 3.99Å; M126-L128 HydrophobicContact CE-CD1 3.46Å; M126-L128 VanDerWaalsContact CE-CD1 3.46Å; M126-L128 HydrophobicContact CE-CD2 4.3Å; M126-L128 HydrophobicContact CE-CG 4.11Å; M126-L128 HydrophobicContact CG-CB 4.47Å; M126-Y149 WeakPolarHBondContact CA-O 3.44Å; M126-V151 HydrophobicContact CE-CG2 4.15Å; M126-L185 HydrophobicContact SD-CD1 3.96Å; M126-V189 HydrophobicContact CB-CB 4.21Å; M126-V189 HydrophobicContact CB-CG1 3.85Å; M126-V189 HydrophobicContact CB-CG2 3.83Å; M126-I191 PolarHBondContact N-O 3.08Å; M126-V193 WeakPolarHBondContact O-CG1 3.49Å; M126-V193 PolarHBondContact O-N 2.83Å; M126-V193 VanDerWaalsContact O-O 3.12Å; M126-A213 HydrophobicContact CE-CB 3.75Å; M126-A213 HydrophobicContact SD-CB 4.38Å; M126-W217 HydrophobicContact SD-CB 4.15Å; M126-W217 HydrophobicContact SD-CG 4.42Å
127	D	98.9	Very high	98.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	98.6	170.3	-179.4	9.6	0	0	0	107.9	C130 S136 Y149 V151 V193	D127-C130 HydrophobicContact CB-CB 4.21Å; D127-C130 VanDerWaalsContact CG-CB 3.47Å; D127-C130 VanDerWaalsContact OD2-CB 3.29Å; D127-C130 WeakPolarHBondContact OD2-CB 3.35Å; D127-S136 WeakPolarHBondContact CB-OG 3.06Å; D127-S136 WeakPolarHBondContact OD2-CB 3.47Å; D127-S136 PolarHBondContact OD2-N 2.95Å; D127-S136 PolarHBondContact OD2-OG 3.34Å; D127-Y149 PolarHBondContact N-O 2.9Å; D127-V151 PolarHBondContact O-N 3.38Å; D127-V193 WeakPolarHBondContact CA-O 3.12Å; D127-V193 HydrophobicContact CB-CG1 4.18Å
128	L	98.8	Very high	98.6	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.7	-172.5	-178.8	66.8	0	0	0	111.9	M126 V151 A180 V193 S194 V210 A213	M126-L128 HydrophobicContact CE-CB 3.99Å; M126-L128 HydrophobicContact CE-CD1 3.46Å; M126-L128 VanDerWaalsContact CE-CD1 3.46Å; M126-L128 HydrophobicContact CE-CD2 4.3Å; M126-L128 HydrophobicContact CE-CG 4.11Å; M126-L128 HydrophobicContact CG-CB 4.47Å; L128-V151 HydrophobicContact CD1-CB 3.98Å; L128-V151 HydrophobicContact CD1-CG1 3.63Å; L128-A180 HydrophobicContact CD1-CB 3.39Å; L128-A180 HydrophobicContact CD2-CB 4.2Å; L128-A180 HydrophobicContact CG-CB 4.43Å; L128-V193 PolarHBondContact N-O 2.98Å; L128-S194 WeakPolarHBondContact O-CB 3.43Å; L128-S194 PolarHBondContact O-OG 3.3Å; L128-V210 HydrophobicContact CD2-CB 4.44Å; L128-V210 HydrophobicContact CD2-CG2 3.98Å; L128-A213 HydrophobicContact CD2-CB 3.68Å
129	G	98.4	Very high	98.6	Very high	30 Å²	30	24.2 Å²	24.2	31%	0.309	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	47.6	-170.2	0	0	0	0	0	110.6	G131 V151	G129-G131 PolarHBondContact O-N 3.17Å; G129-V151 CarbonylContact C-O 3.54Å; G129-V151 VanDerWaalsContact CA-O 3.25Å; G129-V151 WeakPolarHBondContact CA-O 3.25Å; G129-V151 PolarHBondContact N-O 3.29Å
130	C	98.8	Very high	98.7	Very high	10 Å²	10	23.9 Å²	23.9	7%	0.068	13%	0.126	C	C	.	.			trans	-65.2	-16.1	-168.9	72.8	0	0	0	0	113.3	D127 T132 G133 A150 V151	D127-C130 HydrophobicContact CB-CB 4.21Å; D127-C130 VanDerWaalsContact CG-CB 3.47Å; D127-C130 VanDerWaalsContact OD2-CB 3.29Å; D127-C130 WeakPolarHBondContact OD2-CB 3.35Å; C130-T132 PolarHBondContact O-N 3.27Å; C130-T132 VanDerWaalsContact O-N 3.15Å; C130-G133 WeakPolarHBondContact O-CA 3.48Å; C130-G133 PolarHBondContact O-N 3.5Å; C130-A150 HydrophobicContact CB-CB 4.07Å; C130-V151 PolarHBondContact N-O 2.8Å
131	G	98.7	Very high	98.7	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-119.6	-176.7	0	0	0	0	0	110.6	H96 G129 G133 E152 T160	H96-G131 WeakPolarHBondContact CE1-CA 3.31Å; G129-G131 PolarHBondContact O-N 3.17Å; G131-G133 PolarHBondContact O-N 3.1Å; G131-E152 VanDerWaalsContact CA-OE2 3.24Å; G131-E152 WeakPolarHBondContact CA-OE2 3.32Å; G131-E152 PolarHBondContact N-OE2 3.07Å; G131-T160 PolarHBondContact O-OG1 3.16Å
132	T	98.7	Very high	98.7	Very high	15 Å²	15	24.9 Å²	24.9	9%	0.092	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-4.7	175.1	56	0	0	0	0	114.9	H96 L100 C130 M156 T160	H96-T132 HydrophobicContact CB-CG2 3.76Å; L100-T132 HydrophobicContact CD1-CG2 4.13Å; C130-T132 PolarHBondContact O-N 3.27Å; C130-T132 VanDerWaalsContact O-N 3.15Å; T132-M156 HydrophobicContact CG2-CG 4.33Å; T132-M156 HydrophobicContact CG2-SD 4.16Å; T132-T160 WeakPolarHBondContact CA-OG1 3.42Å
133	G	98.8	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	20.2	175.9	0	0	0	0	0	114.9	C130 G131 I135 S136 M137	C130-G133 WeakPolarHBondContact O-CA 3.48Å; C130-G133 PolarHBondContact O-N 3.5Å; G131-G133 PolarHBondContact O-N 3.1Å; G133-I135 PolarHBondContact O-N 3.37Å; G133-S136 WeakPolarHBondContact O-CB 3.31Å; G133-S136 PolarHBondContact O-N 3.43Å; G133-M137 WeakPolarHBondContact O-CE 3.32Å; G133-M137 WeakPolarHBondContact O-CG 3.25Å; G133-M137 PolarHBondContact O-N 2.78Å
134	I	98.9	Very high	98.7	Very high	39 Å²	39	22.9 Å²	22.9	20%	0.2	12%	0.124	C	C	.	.	H	α-helix	trans	-61.8	-41	-175.6	-170.7	59.9	0	0	0	112.9	L100 T106 M137 F138	L100-I134 HydrophobicContact CD2-CB 3.84Å; L100-I134 HydrophobicContact CD2-CG1 3.98Å; L100-I134 HydrophobicContact CD2-CG2 3.78Å; T106-I134 HydrophobicContact CG2-CG1 4.28Å; I134-M137 PolarHBondContact O-N 2.85Å; I134-F138 HydrophobicContact CD1-CD1 4.4Å; I134-F138 HydrophobicContact CD1-CE1 3.73Å; I134-F138 HydrophobicContact CD1-CE2 4.4Å; I134-F138 HydrophobicContact CD1-CZ 3.73Å; I134-F138 HydrophobicContact CG1-CD2 4.44Å; I134-F138 HydrophobicContact CG1-CE1 4.04Å; I134-F138 HydrophobicContact CG1-CE2 3.79Å; I134-F138 HydrophobicContact CG1-CZ 3.56Å; I134-F138 VanDerWaalsContact O-CG 3.32Å; I134-F138 WeakPolarHBondContact O-CG 3.46Å; I134-F138 PolarHBondContact O-N 3.08Å
135	I	98.9	Very high	98.7	Very high	9 Å²	9	23.2 Å²	23.2	5%	0.046	13%	0.126	C	C	.	.	H	α-helix	trans	-67.6	-47.5	178.6	-59.2	170.7	0	0	0	109.5	Y109 G133 M137 F138 C139 V193 E195	Y109-I135 HydrophobicContact CD1-CD1 3.52Å; Y109-I135 HydrophobicContact CD1-CG1 4.08Å; Y109-I135 HydrophobicContact CE1-CD1 3.84Å; Y109-I135 HydrophobicContact CG-CD1 3.99Å; Y109-I135 HydrophobicContact CG-CG1 4.28Å; G133-I135 PolarHBondContact O-N 3.37Å; I135-M137 VanDerWaalsContact C-N 3.29Å; I135-M137 PolarHBondContact O-N 2.75Å; I135-F138 WeakPolarHBondContact O-CA 3.15Å; I135-F138 WeakPolarHBondContact O-CB 3.34Å; I135-F138 PolarHBondContact O-N 3.04Å; I135-C139 PolarHBondContact O-N 3.27Å; I135-C139 PolarHBondContact O-SG 2.96Å; I135-V193 HydrophobicContact CG2-CG1 3.93Å; I135-V193 HydrophobicContact CG2-CG2 3.99Å; I135-E195 HydrophobicContact CD1-CB 4.28Å
136	S	98.9	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-52.6	-44	172.3	-69.3	0	0	0	0	113.4	D127 G133 C139 A140 A150	D127-S136 WeakPolarHBondContact CB-OG 3.06Å; D127-S136 WeakPolarHBondContact OD2-CB 3.47Å; D127-S136 PolarHBondContact OD2-N 2.95Å; D127-S136 PolarHBondContact OD2-OG 3.34Å; G133-S136 WeakPolarHBondContact O-CB 3.31Å; G133-S136 PolarHBondContact O-N 3.43Å; S136-C139 WeakPolarHBondContact O-CB 3.47Å; S136-C139 PolarHBondContact O-N 2.92Å; S136-A140 PolarHBondContact O-N 3.32Å; S136-A150 VanDerWaalsContact OG-CB 3.25Å; S136-A150 WeakPolarHBondContact OG-CB 3.35Å
137	M	98.8	Very high	98.6	Very high	19 Å²	19	28 Å²	28	9%	0.094	16%	0.155	C	C	.	.	H	α-helix	trans	-70.1	-33.9	176.7	-72.8	-174.9	-72.3	0	0	112.4	G133 I134 I135 A140 Q141 L163 N167	G133-M137 WeakPolarHBondContact O-CE 3.32Å; G133-M137 WeakPolarHBondContact O-CG 3.25Å; G133-M137 PolarHBondContact O-N 2.78Å; I134-M137 PolarHBondContact O-N 2.85Å; I135-M137 VanDerWaalsContact C-N 3.29Å; I135-M137 PolarHBondContact O-N 2.75Å; M137-A140 PolarHBondContact O-N 2.89Å; M137-Q141 VanDerWaalsContact O-CB 3.31Å; M137-Q141 WeakPolarHBondContact O-CB 3.25Å; M137-Q141 VanDerWaalsContact O-CG 3.31Å; M137-Q141 WeakPolarHBondContact O-CG 3.38Å; M137-Q141 PolarHBondContact O-N 2.7Å; M137-L163 HydrophobicContact CE-CB 4.45Å; M137-L163 HydrophobicContact SD-CB 4.5Å; M137-N167 HydrophobicContact SD-CB 4.08Å
138	F	98.9	Very high	98.6	Very high	23 Å²	23	27.9 Å²	27.9	10%	0.101	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-45.8	169	-66.6	-26.2	0	0	0	111.4	T106 R110 I113 I134 I135 A140 Q141 L142	T106-F138 HydrophobicContact CG2-CE2 4.08Å; T106-F138 HydrophobicContact CG2-CZ 4.02Å; R110-F138 HydrophobicContact CB-CD2 3.82Å; R110-F138 HydrophobicContact CB-CE1 4.43Å; R110-F138 HydrophobicContact CB-CE2 3.52Å; R110-F138 HydrophobicContact CB-CG 4.4Å; R110-F138 HydrophobicContact CB-CZ 3.86Å; R110-F138 HydrophobicContact CG-CD1 4.12Å; R110-F138 HydrophobicContact CG-CD2 4.09Å; R110-F138 HydrophobicContact CG-CE1 4Å; R110-F138 HydrophobicContact CG-CE2 3.97Å; R110-F138 HydrophobicContact CG-CG 4.16Å; R110-F138 HydrophobicContact CG-CZ 3.92Å; I113-F138 HydrophobicContact CB-CB 4.37Å; I113-F138 HydrophobicContact CG1-CB 4.07Å; I113-F138 HydrophobicContact CG2-CB 4.41Å; I134-F138 HydrophobicContact CD1-CD1 4.4Å; I134-F138 HydrophobicContact CD1-CE1 3.73Å; I134-F138 HydrophobicContact CD1-CE2 4.4Å; I134-F138 HydrophobicContact CD1-CZ 3.73Å; I134-F138 HydrophobicContact CG1-CD2 4.44Å; I134-F138 HydrophobicContact CG1-CE1 4.04Å; I134-F138 HydrophobicContact CG1-CE2 3.79Å; I134-F138 HydrophobicContact CG1-CZ 3.56Å; I134-F138 VanDerWaalsContact O-CG 3.32Å; I134-F138 WeakPolarHBondContact O-CG 3.46Å; I134-F138 PolarHBondContact O-N 3.08Å; I135-F138 WeakPolarHBondContact O-CA 3.15Å; I135-F138 WeakPolarHBondContact O-CB 3.34Å; I135-F138 PolarHBondContact O-N 3.04Å; F138-A140 PolarHBondContact O-N 3.3Å; F138-Q141 PolarHBondContact O-N 2.75Å; F138-L142 HydrophobicContact CB-CD1 4.08Å; F138-L142 HydrophobicContact CD1-CD1 4.04Å; F138-L142 HydrophobicContact CG-CD1 4.25Å; F138-L142 WeakPolarHBondContact O-CA 3.29Å; F138-L142 WeakPolarHBondContact O-CB 3.42Å; F138-L142 WeakPolarHBondContact O-CG 3.31Å; F138-L142 PolarHBondContact O-N 2.76Å
139	C	98.8	Very high	98.6	Very high	1 Å²	1	28 Å²	28	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-55.8	-49.5	175.6	-67.6	0	0	0	0	111.5	I113 I135 S136 A143 P145 V148	I113-C139 WeakPolarHBondContact CD1-SG 3.47Å; I135-C139 PolarHBondContact O-N 3.27Å; I135-C139 PolarHBondContact O-SG 2.96Å; S136-C139 WeakPolarHBondContact O-CB 3.47Å; S136-C139 PolarHBondContact O-N 2.92Å; C139-A143 CarbonylContact O-C 3.53Å; C139-A143 WeakPolarHBondContact O-CB 3.5Å; C139-A143 PolarHBondContact O-N 2.9Å; C139-P145 HydrophobicContact CB-CG 4.38Å; C139-P145 WeakPolarHBondContact O-CD 3.47Å; C139-V148 HydrophobicContact CB-CG2 3.87Å
140	A	98.6	Very high	98.6	Very high	22 Å²	22	26.6 Å²	26.6	18%	0.182	14%	0.14	C	C	.	.	H	α-helix	trans	-67.9	-37.1	-177.6	0	0	0	0	0	113.8	S136 M137 F138 C169 V172 V173	S136-A140 PolarHBondContact O-N 3.32Å; M137-A140 PolarHBondContact O-N 2.89Å; F138-A140 PolarHBondContact O-N 3.3Å; A140-C169 HydrophobicContact CB-CB 4Å; A140-V172 HydrophobicContact CB-CB 4.4Å; A140-V172 HydrophobicContact CB-CG1 4.31Å; A140-V173 HydrophobicContact CB-CG2 3.72Å
141	Q	98.4	Very high	98.6	Very high	106 Å²	106	26.3 Å²	26.3	50%	0.495	14%	0.138	S	C	.	.	H	α-helix	trans	-90.6	-33.2	-174.5	-67.3	-176.1	-6.9	0	0	114	M137 F138	M137-Q141 VanDerWaalsContact O-CB 3.31Å; M137-Q141 WeakPolarHBondContact O-CB 3.25Å; M137-Q141 VanDerWaalsContact O-CG 3.31Å; M137-Q141 WeakPolarHBondContact O-CG 3.38Å; M137-Q141 PolarHBondContact O-N 2.7Å; F138-Q141 PolarHBondContact O-N 2.75Å
142	L	98.5	Very high	98.6	Very high	49 Å²	49	26.7 Å²	26.7	26%	0.257	14%	0.139	S	C	.	.	H	α-helix	trans	-104.6	-13.2	-171	-51.7	177.6	0	0	0	112.7	R110 I113 V114 S117 F138	R110-L142 HydrophobicContact CG-CD1 3.73Å; I113-L142 HydrophobicContact CG2-CB 4.2Å; V114-L142 HydrophobicContact CG2-CB 4.4Å; V114-L142 HydrophobicContact CG2-CD1 3.83Å; S117-L142 WeakPolarHBondContact CB-O 3.26Å; S117-L142 PolarHBondContact OG-O 2.6Å; F138-L142 HydrophobicContact CB-CD1 4.08Å; F138-L142 HydrophobicContact CD1-CD1 4.04Å; F138-L142 HydrophobicContact CG-CD1 4.25Å; F138-L142 WeakPolarHBondContact O-CA 3.29Å; F138-L142 WeakPolarHBondContact O-CB 3.42Å; F138-L142 WeakPolarHBondContact O-CG 3.31Å; F138-L142 PolarHBondContact O-N 2.76Å
143	A	98.1	Very high	98.6	Very high	7 Å²	7	27.2 Å²	27.2	6%	0.058	15%	0.145	C	C	.	.	S	Bend	trans	-128.6	-164.3	175	0	0	0	0	0	110.8	I113 S117 L120 C139	I113-A143 HydrophobicContact CG2-CB 4.26Å; S117-A143 WeakPolarHBondContact OG-CA 3.49Å; L120-A143 HydrophobicContact CB-CB 3.82Å; L120-A143 HydrophobicContact CD1-CB 3.91Å; C139-A143 CarbonylContact O-C 3.53Å; C139-A143 WeakPolarHBondContact O-CB 3.5Å; C139-A143 PolarHBondContact O-N 2.9Å
144	K	98	Very high	98.5	Very high	130 Å²	130	27.3 Å²	27.3	57%	0.565	15%	0.146	S	C	*	.			trans	-139.8	55.7	177.9	-62.3	-171.4	179.5	-167.1	0	111.9	R121 D122	R121-K144 CarbonylContact C-O 3.56Å; R121-K144 VanDerWaalsContact CA-O 3.3Å; R121-K144 WeakPolarHBondContact CA-O 3.36Å; D122-K144 PolarHBondContact N-O 3.35Å
145	P	98.6	Very high	98.4	Very high	12 Å²	12	28.2 Å²	28.2	8%	0.078	16%	0.155	C	C	.	.			trans	-61.9	156.8	174.8	30.2	-35	0	0	0	110.7	L120 K123 V125 C139 V148 V172	L120-P145 VanDerWaalsContact O-CA 3.31Å; L120-P145 WeakPolarHBondContact O-CA 3.43Å; K123-P145 CarbonylContact O-C 3.49Å; K123-P145 VanDerWaalsContact O-CA 3.31Å; K123-P145 WeakPolarHBondContact O-CA 3.38Å; K123-P145 WeakPolarHBondContact O-CB 3.41Å; V125-P145 HydrophobicContact CG2-CB 4.16Å; C139-P145 HydrophobicContact CB-CG 4.38Å; C139-P145 WeakPolarHBondContact O-CD 3.47Å; P145-V148 HydrophobicContact CB-CG2 4.16Å; P145-V148 HydrophobicContact CG-CG2 3.61Å; P145-V172 HydrophobicContact CG-CG1 3.86Å
146	S	98.3	Very high	98.4	Very high	57 Å²	57	28 Å²	28	40%	0.399	15%	0.154	S	C	.	.	S	Bend	trans	-72.9	-35.6	172.7	53.4	0	0	0	0	111.3	D122 K123 V124	D122-S146 PolarHBondContact O-OG 3.38Å; K123-S146 PolarHBondContact O-N 3.43Å; K123-S146 PolarHBondContact O-OG 3.37Å; K123-S146 VanDerWaalsContact O-OG 3.08Å; V124-S146 WeakPolarHBondContact CG2-OG 3.19Å
147	M	98.5	Very high	98.4	Very high	46 Å²	46	28 Å²	28	23%	0.227	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	146.5	-178.5	-174.3	61.1	62.2	0	0	110.2	V124 V125 Y149 V172	V124-M147 WeakPolarHBondContact CA-O 3.43Å; V124-M147 HydrophobicContact CG1-CB 4.35Å; V125-M147 PolarHBondContact N-O 3.4Å; M147-Y149 HydrophobicContact CG-CD1 4.13Å; M147-Y149 HydrophobicContact CG-CE1 3.6Å; M147-Y149 HydrophobicContact CG-CE2 4.08Å; M147-Y149 HydrophobicContact SD-CE1 4.15Å; M147-V172 VanDerWaalsContact SD-O 3.34Å
148	V	98.9	Very high	98.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.2	169.9	-178.1	0	0	0	0	108.9	V125 C139 P145 V172 V173 T174	V125-V148 HydrophobicContact CB-CG1 4.48Å; V125-V148 HydrophobicContact CB-CG2 4.27Å; V125-V148 CarbonylContact O-C 3.59Å; V125-V148 VanDerWaalsContact O-CA 3.32Å; V125-V148 WeakPolarHBondContact O-CA 3.36Å; C139-V148 HydrophobicContact CB-CG2 3.87Å; P145-V148 HydrophobicContact CB-CG2 4.16Å; P145-V148 HydrophobicContact CG-CG2 3.61Å; V148-V172 HydrophobicContact CG2-CG1 4.04Å; V148-V172 PolarHBondContact N-O 2.71Å; V148-V173 HydrophobicContact CB-CB 4.49Å; V148-V173 HydrophobicContact CB-CG2 4.09Å; V148-V173 HydrophobicContact CG1-CG1 4.46Å; V148-V173 HydrophobicContact CG1-CG2 4.49Å; V148-V173 HydrophobicContact CG2-CG2 4.5Å; V148-V173 CarbonylContact O-C 3.52Å; V148-V173 WeakPolarHBondContact O-CA 3.19Å; V148-T174 PolarHBondContact O-N 3.1Å
149	Y	98.8	Very high	98.3	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.039	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	105.1	171.1	-61.3	-56.4	0	0	0	109.6	V124 V125 M126 D127 M147 L176 L185 P186 E187 V189	V124-Y149 HydrophobicContact CG1-CD2 4.02Å; V124-Y149 HydrophobicContact CG1-CE2 3.66Å; V125-Y149 PolarHBondContact O-N 3.39Å; M126-Y149 WeakPolarHBondContact CA-O 3.44Å; D127-Y149 PolarHBondContact N-O 2.9Å; M147-Y149 HydrophobicContact CG-CD1 4.13Å; M147-Y149 HydrophobicContact CG-CE1 3.6Å; M147-Y149 HydrophobicContact CG-CE2 4.08Å; M147-Y149 HydrophobicContact SD-CE1 4.15Å; Y149-L176 HydrophobicContact CD1-CD1 4.3Å; Y149-L185 HydrophobicContact CD1-CD2 4.34Å; Y149-L185 HydrophobicContact CD2-CD1 4.18Å; Y149-L185 HydrophobicContact CD2-CD2 4.09Å; Y149-L185 HydrophobicContact CG-CD2 3.92Å; Y149-P186 HydrophobicContact CE1-CG 4.2Å; Y149-P186 WeakPolarHBondContact OH-CG 3.42Å; Y149-E187 HydrophobicContact CE2-CG 4.27Å; Y149-V189 HydrophobicContact CD2-CG1 3.95Å; Y149-V189 HydrophobicContact CE2-CG1 4.4Å
150	A	98.8	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	104.6	177.8	0	0	0	0	0	108.9	C130 S136 V173 T174 V175 L176	C130-A150 HydrophobicContact CB-CB 4.07Å; S136-A150 VanDerWaalsContact OG-CB 3.25Å; S136-A150 WeakPolarHBondContact OG-CB 3.35Å; A150-V173 HydrophobicContact CB-CG1 3.86Å; A150-T174 PolarHBondContact N-O 2.91Å; A150-V175 HydrophobicContact CB-CG2 4.22Å; A150-V175 CarbonylContact O-C 3.59Å; A150-V175 VanDerWaalsContact O-CA 3.31Å; A150-V175 WeakPolarHBondContact O-CA 3.33Å; A150-L176 PolarHBondContact O-N 2.97Å
151	V	98.6	Very high	98.4	Very high	3 Å²	3	39 Å²	39	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.3	-174.1	172.3	0	0	0	0	109.9	M126 D127 L128 G129 C130 L176 L183	M126-V151 HydrophobicContact CE-CG2 4.15Å; D127-V151 PolarHBondContact O-N 3.38Å; L128-V151 HydrophobicContact CD1-CB 3.98Å; L128-V151 HydrophobicContact CD1-CG1 3.63Å; G129-V151 CarbonylContact C-O 3.54Å; G129-V151 VanDerWaalsContact CA-O 3.25Å; G129-V151 WeakPolarHBondContact CA-O 3.25Å; G129-V151 PolarHBondContact N-O 3.29Å; C130-V151 PolarHBondContact N-O 2.8Å; V151-L176 WeakPolarHBondContact CA-O 3.48Å; V151-L176 HydrophobicContact CG2-CB 4.28Å; V151-L176 HydrophobicContact CG2-CD1 4.26Å; V151-L183 HydrophobicContact CB-CD1 4.31Å; V151-L183 HydrophobicContact CG1-CD1 3.4Å; V151-L183 VanDerWaalsContact CG1-CD1 3.4Å; V151-L183 HydrophobicContact CG2-CD1 4.06Å
152	E	98.5	Very high	98.4	Very high	12 Å²	12	39 Å²	39	6%	0.056	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	124	-179.7	172.8	53	-131.1	0	0	110.7	G131 S154 M156 A157 L176 Q177 G178	G131-E152 VanDerWaalsContact CA-OE2 3.24Å; G131-E152 WeakPolarHBondContact CA-OE2 3.32Å; G131-E152 PolarHBondContact N-OE2 3.07Å; E152-S154 WeakPolarHBondContact OE1-CB 3.36Å; E152-S154 PolarHBondContact OE1-N 2.91Å; E152-S154 PolarHBondContact OE1-OG 2.9Å; E152-M156 HydrophobicContact CG-CB 4.4Å; E152-A157 HydrophobicContact CB-CB 3.95Å; E152-A157 HydrophobicContact CG-CB 3.93Å; E152-L176 PolarHBondContact N-O 2.84Å; E152-Q177 WeakPolarHBondContact O-CA 3.39Å; E152-G178 PolarHBondContact O-N 3.19Å; E152-G178 VanDerWaalsContact O-N 3.08Å
153	A	97.5	Very high	98.4	Very high	26 Å²	26	39.5 Å²	39.5	22%	0.215	20%	0.2	C	C	.	.			trans	-81	-32.6	-176.5	0	0	0	0	0	113.1	F87 G178 R179	F87-A153 HydrophobicContact CD1-CB 3.67Å; F87-A153 HydrophobicContact CD2-CB 4.44Å; F87-A153 HydrophobicContact CE1-CB 3.37Å; F87-A153 HydrophobicContact CE2-CB 4.19Å; F87-A153 HydrophobicContact CG-CB 4.22Å; F87-A153 HydrophobicContact CZ-CB 3.66Å; A153-G178 WeakPolarHBondContact CA-O 3.3Å; A153-R179 HydrophobicContact CB-CG 4.15Å
154	S	97.4	Very high	98.4	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.021	20%	0.198	C	C	.	.	S	Bend	trans	-73.6	171.4	-177.1	74.6	0	0	0	0	113.1	F87 E152 M156 A157	F87-S154 WeakPolarHBondContact O-CB 3.31Å; E152-S154 WeakPolarHBondContact OE1-CB 3.36Å; E152-S154 PolarHBondContact OE1-N 2.91Å; E152-S154 PolarHBondContact OE1-OG 2.9Å; S154-M156 PolarHBondContact O-N 3.42Å; S154-M156 VanDerWaalsContact O-N 3.09Å; S154-M156 WeakPolarHBondContact OG-CB 3.31Å; S154-M156 PolarHBondContact OG-N 3.06Å; S154-A157 PolarHBondContact O-N 2.85Å
155	S	97.4	Very high	98.5	Very high	57 Å²	57	40 Å²	40	40%	0.399	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-14.2	172.5	58.4	0	0	0	0	113.8	G91 A157 E158	G91-S155 WeakPolarHBondContact CA-OG 3.21Å; S155-A157 PolarHBondContact O-N 3.22Å; S155-A157 VanDerWaalsContact O-N 3.15Å; S155-E158 PolarHBondContact O-N 2.96Å; S155-E158 VanDerWaalsContact O-N 3.16Å
156	M	98.3	Very high	98.5	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-28.1	176.7	-170	54.4	55.7	0	0	112.2	L93 T132 E152 S154 E158 H159 T160	L93-M156 HydrophobicContact CD2-CE 3.88Å; L93-M156 HydrophobicContact CD2-SD 4.38Å; L93-M156 HydrophobicContact CG-CE 4.43Å; T132-M156 HydrophobicContact CG2-CG 4.33Å; T132-M156 HydrophobicContact CG2-SD 4.16Å; E152-M156 HydrophobicContact CG-CB 4.4Å; S154-M156 PolarHBondContact O-N 3.42Å; S154-M156 VanDerWaalsContact O-N 3.09Å; S154-M156 WeakPolarHBondContact OG-CB 3.31Å; S154-M156 PolarHBondContact OG-N 3.06Å; M156-E158 PolarHBondContact O-N 2.84Å; M156-E158 VanDerWaalsContact O-N 3.12Å; M156-H159 WeakPolarHBondContact O-CB 3.31Å; M156-H159 PolarHBondContact O-N 3.13Å; M156-H159 HydrophobicContact SD-CB 3.97Å; M156-T160 PolarHBondContact O-N 3.02Å; M156-T160 PolarHBondContact O-OG1 2.87Å; M156-T160 VanDerWaalsContact O-OG1 3.1Å
157	A	98.5	Very high	98.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-53.6	-33.7	177	0	0	0	0	0	113.4	E152 S154 S155 T160 R161 V175 Q177	E152-A157 HydrophobicContact CB-CB 3.95Å; E152-A157 HydrophobicContact CG-CB 3.93Å; S154-A157 PolarHBondContact O-N 2.85Å; S155-A157 PolarHBondContact O-N 3.22Å; S155-A157 VanDerWaalsContact O-N 3.15Å; A157-T160 PolarHBondContact O-N 3.06Å; A157-R161 WeakPolarHBondContact O-CG 3.28Å; A157-R161 PolarHBondContact O-N 2.82Å; A157-V175 HydrophobicContact CB-CG1 4.17Å; A157-Q177 HydrophobicContact CB-CB 3.68Å; A157-Q177 HydrophobicContact CB-CG 3.69Å
158	E	98.3	Very high	98.5	Very high	106 Å²	106	48 Å²	48	50%	0.495	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-41.7	176.7	-64.1	-177.6	-171.6	0	0	112.1	S155 M156	S155-E158 PolarHBondContact O-N 2.96Å; S155-E158 VanDerWaalsContact O-N 3.16Å; M156-E158 PolarHBondContact O-N 2.84Å; M156-E158 VanDerWaalsContact O-N 3.12Å
159	H	98.6	Very high	98.5	Very high	93 Å²	93	48.3 Å²	48.3	43%	0.431	25%	0.251	S	S	.	.	H	α-helix	trans	-72.3	-38.4	175.5	-61.8	-60.8	0	0	0	111.2	M156 R161 Q162 L163	M156-H159 WeakPolarHBondContact O-CB 3.31Å; M156-H159 PolarHBondContact O-N 3.13Å; M156-H159 HydrophobicContact SD-CB 3.97Å; H159-R161 VanDerWaalsContact C-N 3.3Å; H159-R161 PolarHBondContact O-N 2.57Å; H159-Q162 WeakPolarHBondContact O-CA 3.26Å; H159-Q162 WeakPolarHBondContact O-CB 3.5Å; H159-Q162 PolarHBondContact O-N 3.15Å; H159-L163 WeakPolarHBondContact O-CG 3.33Å; H159-L163 PolarHBondContact O-N 2.81Å
160	T	98.9	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-39.2	176.8	-57.6	0	0	0	0	111.9	G131 T132 M156 A157 Q162 L163 V164 V175	G131-T160 PolarHBondContact O-OG1 3.16Å; T132-T160 WeakPolarHBondContact CA-OG1 3.42Å; M156-T160 PolarHBondContact O-N 3.02Å; M156-T160 PolarHBondContact O-OG1 2.87Å; M156-T160 VanDerWaalsContact O-OG1 3.1Å; A157-T160 PolarHBondContact O-N 3.06Å; T160-Q162 VanDerWaalsContact C-N 3.29Å; T160-Q162 PolarHBondContact O-N 3.09Å; T160-L163 PolarHBondContact O-N 3.47Å; T160-V164 HydrophobicContact CG2-CG2 4.45Å; T160-V164 WeakPolarHBondContact O-CB 3.4Å; T160-V164 WeakPolarHBondContact O-CG2 3.47Å; T160-V164 PolarHBondContact O-N 3.19Å; T160-V175 HydrophobicContact CG2-CG1 4.27Å; T160-V175 HydrophobicContact CG2-CG2 4.01Å
161	R	98.8	Very high	98.4	Very high	98 Å²	98	59.8 Å²	59.8	37%	0.37	31%	0.305	S	S	.	.	H	α-helix	trans	-57.3	-41.6	170.6	-73.5	174.6	-168.2	118.8	-1.4	112.6	A157 H159 K165 V175	A157-R161 WeakPolarHBondContact O-CG 3.28Å; A157-R161 PolarHBondContact O-N 2.82Å; H159-R161 VanDerWaalsContact C-N 3.3Å; H159-R161 PolarHBondContact O-N 2.57Å; R161-K165 WeakPolarHBondContact O-CB 3.46Å; R161-K165 PolarHBondContact O-N 3.3Å; R161-V175 HydrophobicContact CG-CB 3.57Å; R161-V175 HydrophobicContact CG-CG1 3.94Å; R161-V175 HydrophobicContact CG-CG2 3.97Å; R161-V175 PolarHBondContact NE-O 2.97Å; R161-V175 PolarHBondContact NH2-O 3.36Å
162	Q	98.7	Very high	98.4	Very high	107 Å²	107	61.5 Å²	61.5	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-68.1	-42.1	178.1	-61.2	176.4	11.9	0	0	111.2	H159 T160 K165 Q166	H159-Q162 WeakPolarHBondContact O-CA 3.26Å; H159-Q162 WeakPolarHBondContact O-CB 3.5Å; H159-Q162 PolarHBondContact O-N 3.15Å; T160-Q162 VanDerWaalsContact C-N 3.29Å; T160-Q162 PolarHBondContact O-N 3.09Å; Q162-K165 PolarHBondContact O-N 2.99Å; Q162-Q166 WeakPolarHBondContact O-CB 3.48Å; Q162-Q166 VanDerWaalsContact O-CG 3.26Å; Q162-Q166 WeakPolarHBondContact O-CG 3.5Å; Q162-Q166 PolarHBondContact O-N 3.16Å
163	L	98.8	Very high	98.4	Very high	58 Å²	58	61.2 Å²	61.2	30%	0.304	31%	0.314	S	S	.	.	H	α-helix	trans	-62.6	-47.6	177.5	-69	172.7	0	0	0	111.7	M137 H159 T160 K165 Q166 N167	M137-L163 HydrophobicContact CE-CB 4.45Å; M137-L163 HydrophobicContact SD-CB 4.5Å; H159-L163 WeakPolarHBondContact O-CG 3.33Å; H159-L163 PolarHBondContact O-N 2.81Å; T160-L163 PolarHBondContact O-N 3.47Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 2.88Å; L163-Q166 PolarHBondContact O-N 3.12Å; L163-N167 WeakPolarHBondContact O-CB 3.43Å; L163-N167 PolarHBondContact O-N 3.02Å; L163-N167 PolarHBondContact O-ND2 3.37Å
164	V	98.9	Very high	98.4	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-54.2	-48.6	176.2	162.9	0	0	0	0	110.7	T160 N167 G168 C169 E170 V173 V175	T160-V164 HydrophobicContact CG2-CG2 4.45Å; T160-V164 WeakPolarHBondContact O-CB 3.4Å; T160-V164 WeakPolarHBondContact O-CG2 3.47Å; T160-V164 PolarHBondContact O-N 3.19Å; V164-N167 PolarHBondContact O-N 3.47Å; V164-G168 PolarHBondContact O-N 3.19Å; V164-C169 HydrophobicContact CG1-CB 4.04Å; V164-C169 PolarHBondContact O-N 2.83Å; V164-E170 HydrophobicContact CG1-CB 4.12Å; V164-V173 HydrophobicContact CG1-CB 3.82Å; V164-V173 HydrophobicContact CG1-CG1 4.25Å; V164-V173 HydrophobicContact CG2-CB 4.16Å; V164-V173 HydrophobicContact CG2-CG1 3.76Å; V164-V175 HydrophobicContact CG2-CG2 3.95Å
165	K	98.7	Very high	98.5	Very high	145 Å²	145	63.1 Å²	63.1	63%	0.63	32%	0.323	S	S	*	.	H	α-helix	trans	-65.4	-44.7	178.1	-176.2	177.3	-178.5	175.1	0	113.1	R161 Q162 L163 N167 G168 E170	R161-K165 WeakPolarHBondContact O-CB 3.46Å; R161-K165 PolarHBondContact O-N 3.3Å; Q162-K165 PolarHBondContact O-N 2.99Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 2.88Å; K165-N167 PolarHBondContact O-N 3.25Å; K165-G168 PolarHBondContact O-N 2.77Å; K165-E170 WeakPolarHBondContact CA-OE2 3.49Å
166	Q	98.6	Very high	98.5	Very high	148 Å²	148	62.1 Å²	62.1	69%	0.692	31%	0.313	S	S	*	.	H	α-helix	trans	-64.8	-27	-179.8	-75.6	177.3	14.2	0	0	112.5	Q162 L163	Q162-Q166 WeakPolarHBondContact O-CB 3.48Å; Q162-Q166 VanDerWaalsContact O-CG 3.26Å; Q162-Q166 WeakPolarHBondContact O-CG 3.5Å; Q162-Q166 PolarHBondContact O-N 3.16Å; L163-Q166 PolarHBondContact O-N 3.12Å
167	N	98.7	Very high	98.5	Very high	77 Å²	77	65.3 Å²	65.3	41%	0.412	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11.1	178	-71.3	-82	0	0	0	113.5	M137 L163 V164 K165 C169	M137-N167 HydrophobicContact SD-CB 4.08Å; L163-N167 WeakPolarHBondContact O-CB 3.43Å; L163-N167 PolarHBondContact O-N 3.02Å; L163-N167 PolarHBondContact O-ND2 3.37Å; V164-N167 PolarHBondContact O-N 3.47Å; K165-N167 PolarHBondContact O-N 3.25Å; N167-C169 VanDerWaalsContact C-N 3.28Å; N167-C169 PolarHBondContact O-N 2.75Å; N167-C169 PolarHBondContact O-SG 3.06Å; N167-C169 VanDerWaalsContact O-SG 3.32Å
168	G	98.4	Very high	98.3	Very high	58 Å²	58	66.1 Å²	66.1	60%	0.598	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	28.9	175.3	0	0	0	0	0	114	V164 K165 E170	V164-G168 PolarHBondContact O-N 3.19Å; K165-G168 PolarHBondContact O-N 2.77Å; G168-E170 WeakPolarHBondContact CA-OE2 3.36Å
169	C	98.6	Very high	98.1	Very high	6 Å²	6	64.9 Å²	64.9	4%	0.041	33%	0.327	C	S	.	.			trans	-103.4	-1.6	-176.2	-63.5	0	0	0	0	112.9	A140 V164 N167 E171 V172 V173	A140-C169 HydrophobicContact CB-CB 4Å; V164-C169 HydrophobicContact CG1-CB 4.04Å; V164-C169 PolarHBondContact O-N 2.83Å; N167-C169 VanDerWaalsContact C-N 3.28Å; N167-C169 PolarHBondContact O-N 2.75Å; N167-C169 PolarHBondContact O-SG 3.06Å; N167-C169 VanDerWaalsContact O-SG 3.32Å; C169-E171 VanDerWaalsContact C-N 3.26Å; C169-E171 PolarHBondContact O-N 3.25Å; C169-V172 PolarHBondContact O-N 2.8Å; C169-V172 VanDerWaalsContact O-N 3.09Å; C169-V173 HydrophobicContact CB-CG2 4.04Å; C169-V173 PolarHBondContact O-N 2.61Å
170	E	98	Very high	97.5	Very high	83 Å²	83	60.8 Å²	60.8	39%	0.388	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.1	-171	66.3	-91.3	-142.5	0	0	115.1	V164 K165 G168 V172	V164-E170 HydrophobicContact CG1-CB 4.12Å; K165-E170 WeakPolarHBondContact CA-OE2 3.49Å; G168-E170 WeakPolarHBondContact CA-OE2 3.36Å; E170-V172 VanDerWaalsContact C-N 3.26Å; E170-V172 PolarHBondContact O-N 3.15Å
171	E	97.9	Very high	97.1	Very high	168 Å²	168	63.6 Å²	63.6	79%	0.785	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-19	175.2	-64.5	-64.4	145	0	0	112.4	C169	C169-E171 VanDerWaalsContact C-N 3.26Å; C169-E171 PolarHBondContact O-N 3.25Å
172	V	98.4	Very high	96.7	Very high	38 Å²	38	64.5 Å²	64.5	23%	0.23	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-36.8	-175.4	178.2	0	0	0	0	111.6	A140 P145 M147 V148 C169 E170	A140-V172 HydrophobicContact CB-CB 4.4Å; A140-V172 HydrophobicContact CB-CG1 4.31Å; P145-V172 HydrophobicContact CG-CG1 3.86Å; M147-V172 VanDerWaalsContact SD-O 3.34Å; V148-V172 HydrophobicContact CG2-CG1 4.04Å; V148-V172 PolarHBondContact N-O 2.71Å; C169-V172 PolarHBondContact O-N 2.8Å; C169-V172 VanDerWaalsContact O-N 3.09Å; E170-V172 VanDerWaalsContact C-N 3.26Å; E170-V172 PolarHBondContact O-N 3.15Å
173	V	98.8	Very high	96.3	Very high	6 Å²	6	60.8 Å²	60.8	4%	0.036	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.7	-175.3	-175	0	0	0	0	110.6	A140 V148 A150 V164 C169 V175	A140-V173 HydrophobicContact CB-CG2 3.72Å; V148-V173 HydrophobicContact CB-CB 4.49Å; V148-V173 HydrophobicContact CB-CG2 4.09Å; V148-V173 HydrophobicContact CG1-CG1 4.46Å; V148-V173 HydrophobicContact CG1-CG2 4.49Å; V148-V173 HydrophobicContact CG2-CG2 4.5Å; V148-V173 CarbonylContact O-C 3.52Å; V148-V173 WeakPolarHBondContact O-CA 3.19Å; A150-V173 HydrophobicContact CB-CG1 3.86Å; V164-V173 HydrophobicContact CG1-CB 3.82Å; V164-V173 HydrophobicContact CG1-CG1 4.25Å; V164-V173 HydrophobicContact CG2-CB 4.16Å; V164-V173 HydrophobicContact CG2-CG1 3.76Å; C169-V173 HydrophobicContact CB-CG2 4.04Å; C169-V173 PolarHBondContact O-N 2.61Å; V173-V175 HydrophobicContact CG1-CG2 4.45Å
174	T	98.6	Very high	96	Very high	55 Å²	55	64.6 Å²	64.6	34%	0.337	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118	171.8	-62.3	0	0	0	0	109.9	V148 A150 L176	V148-T174 PolarHBondContact O-N 3.1Å; A150-T174 PolarHBondContact N-O 2.91Å; T174-L176 HydrophobicContact CG2-CD2 3.95Å; T174-L176 HydrophobicContact CG2-CG 4.43Å
175	V	98.7	Very high	95.8	Very high	14 Å²	14	65.1 Å²	65.1	9%	0.085	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.1	179.6	-174.2	0	0	0	0	111.1	A150 A157 T160 R161 V164 V173	A150-V175 HydrophobicContact CB-CG2 4.22Å; A150-V175 CarbonylContact O-C 3.59Å; A150-V175 VanDerWaalsContact O-CA 3.31Å; A150-V175 WeakPolarHBondContact O-CA 3.33Å; A157-V175 HydrophobicContact CB-CG1 4.17Å; T160-V175 HydrophobicContact CG2-CG1 4.27Å; T160-V175 HydrophobicContact CG2-CG2 4.01Å; R161-V175 HydrophobicContact CG-CB 3.57Å; R161-V175 HydrophobicContact CG-CG1 3.94Å; R161-V175 HydrophobicContact CG-CG2 3.97Å; R161-V175 PolarHBondContact NE-O 2.97Å; R161-V175 PolarHBondContact NH2-O 3.36Å; V164-V175 HydrophobicContact CG2-CG2 3.95Å; V173-V175 HydrophobicContact CG1-CG2 4.45Å
176	L	98.1	Very high	95.4	Very high	37 Å²	37	63.2 Å²	63.2	19%	0.194	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.2	180	-57	176.4	0	0	0	109.1	Y149 A150 V151 E152 T174 L183 L185	Y149-L176 HydrophobicContact CD1-CD1 4.3Å; A150-L176 PolarHBondContact O-N 2.97Å; V151-L176 WeakPolarHBondContact CA-O 3.48Å; V151-L176 HydrophobicContact CG2-CB 4.28Å; V151-L176 HydrophobicContact CG2-CD1 4.26Å; E152-L176 PolarHBondContact N-O 2.84Å; T174-L176 HydrophobicContact CG2-CD2 3.95Å; T174-L176 HydrophobicContact CG2-CG 4.43Å; L176-L183 HydrophobicContact CB-CD1 4.06Å; L176-L183 HydrophobicContact CB-CD2 4.39Å; L176-L185 HydrophobicContact CD1-CD2 3.27Å
177	Q	97.6	Very high	95.3	Very high	71 Å²	71	61 Å²	61	33%	0.332	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118	179.3	-176	175.8	-1.6	0	0	109.9	E152 A157	E152-Q177 WeakPolarHBondContact O-CA 3.39Å; A157-Q177 HydrophobicContact CB-CB 3.68Å; A157-Q177 HydrophobicContact CB-CG 3.69Å
178	G	95	Very high	95.3	Very high	17 Å²	17	62.3 Å²	62.3	18%	0.175	33%	0.329	C	S	.	.	S	Bend	trans	152.6	172.4	-178.1	0	0	0	0	0	112.1	E152 A153	E152-G178 PolarHBondContact O-N 3.19Å; E152-G178 VanDerWaalsContact O-N 3.08Å; A153-G178 WeakPolarHBondContact CA-O 3.3Å
179	R	93.1	Very high	95.3	Very high	80 Å²	80	59.6 Å²	59.6	30%	0.302	30%	0.3	S	S	.	.			trans	-76.1	145.5	176	-57.2	-167.9	-60.5	166.3	6.8	110.5	D83 F87 A153 E181 E182 L183	D83-R179 WeakPolarHBondContact OD2-CD 3.23Å; D83-R179 IonicContact OD2-CZ 3.09Å; D83-R179 IonicContact OD2-NE 3.06Å; D83-R179 IonicContact OD2-NH1 3.08Å; D83-R179 PolarHBondContact OD2-NH1 2.88Å; F87-R179 HydrophobicContact CE2-CG 4.13Å; F87-R179 HydrophobicContact CZ-CG 4.17Å; A153-R179 HydrophobicContact CB-CG 4.15Å; R179-E181 WeakPolarHBondContact CB-OE2 3.16Å; R179-E181 PolarHBondContact O-N 2.91Å; R179-E181 VanDerWaalsContact O-N 3.14Å; R179-E182 HydrophobicContact CB-CG 4.29Å; R179-E182 IonicContact CZ-OE1 2.71Å; R179-E182 VanDerWaalsContact CZ-OE1 3.27Å; R179-E182 VanDerWaalsContact NE-CD 3.31Å; R179-E182 IonicContact NE-OE1 2.77Å; R179-E182 PolarHBondContact NE-OE1 3.06Å; R179-E182 VanDerWaalsContact NE-OE1 3.09Å; R179-E182 IonicContact NE-OE2 2.64Å; R179-E182 PolarHBondContact NE-OE2 3.36Å; R179-E182 IonicContact NH2-OE1 2.65Å; R179-E182 PolarHBondContact NH2-OE1 3.23Å; R179-E182 PolarHBondContact O-N 3.32Å; R179-L183 VanDerWaalsContact O-CG 3.29Å; R179-L183 WeakPolarHBondContact O-CG 3.16Å; R179-L183 PolarHBondContact O-N 3.38Å; R179-L183 VanDerWaalsContact O-N 3.17Å
180	A	86.4	Confident	95.3	Very high	7 Å²	7	60.1 Å²	60.1	6%	0.058	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.9	-178.1	0	0	0	0	0	112.8	L128 E182 A213	L128-A180 HydrophobicContact CD1-CB 3.39Å; L128-A180 HydrophobicContact CD2-CB 4.2Å; L128-A180 HydrophobicContact CG-CB 4.43Å; A180-E182 VanDerWaalsContact C-N 3.28Å; A180-E182 PolarHBondContact O-N 2.92Å; A180-A213 HydrophobicContact CB-CB 4.38Å
181	E	90	Very high	95.4	Very high	59 Å²	59	56.3 Å²	56.3	28%	0.276	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.8	-176.7	-61.1	82.7	175.3	0	0	112.1	R179 S209 L212 R216	R179-E181 WeakPolarHBondContact CB-OE2 3.16Å; R179-E181 PolarHBondContact O-N 2.91Å; R179-E181 VanDerWaalsContact O-N 3.14Å; E181-S209 VanDerWaalsContact OE1-CA 3.32Å; E181-S209 WeakPolarHBondContact OE1-CA 3.33Å; E181-S209 WeakPolarHBondContact OE1-CB 3.39Å; E181-S209 PolarHBondContact OE1-OG 2.82Å; E181-L212 HydrophobicContact CG-CD1 3.72Å; E181-R216 PolarHBondContact O-NH1 2.87Å; E181-R216 VanDerWaalsContact O-NH1 3.07Å
182	E	91	Very high	95.4	Very high	116 Å²	116	48.3 Å²	48.3	54%	0.542	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-19.5	-172.3	-61.6	174.4	158.3	0	0	113.4	R179 A180	R179-E182 HydrophobicContact CB-CG 4.29Å; R179-E182 IonicContact CZ-OE1 2.71Å; R179-E182 VanDerWaalsContact CZ-OE1 3.27Å; R179-E182 VanDerWaalsContact NE-CD 3.31Å; R179-E182 IonicContact NE-OE1 2.77Å; R179-E182 PolarHBondContact NE-OE1 3.06Å; R179-E182 VanDerWaalsContact NE-OE1 3.09Å; R179-E182 IonicContact NE-OE2 2.64Å; R179-E182 PolarHBondContact NE-OE2 3.36Å; R179-E182 IonicContact NH2-OE1 2.65Å; R179-E182 PolarHBondContact NH2-OE1 3.23Å; R179-E182 PolarHBondContact O-N 3.32Å; A180-E182 VanDerWaalsContact C-N 3.28Å; A180-E182 PolarHBondContact O-N 2.92Å
183	L	89.8	Confident	95.4	Very high	30 Å²	30	46.6 Å²	46.6	16%	0.157	24%	0.237	C	C	.	.			trans	-76.2	151.3	-177.6	-71.6	170.5	0	0	0	111.5	V151 L176 R179 W217	V151-L183 HydrophobicContact CB-CD1 4.31Å; V151-L183 HydrophobicContact CG1-CD1 3.4Å; V151-L183 VanDerWaalsContact CG1-CD1 3.4Å; V151-L183 HydrophobicContact CG2-CD1 4.06Å; L176-L183 HydrophobicContact CB-CD1 4.06Å; L176-L183 HydrophobicContact CB-CD2 4.39Å; R179-L183 VanDerWaalsContact O-CG 3.29Å; R179-L183 WeakPolarHBondContact O-CG 3.16Å; R179-L183 PolarHBondContact O-N 3.38Å; R179-L183 VanDerWaalsContact O-N 3.17Å; L183-W217 VanDerWaalsContact O-CZ2 3.26Å; L183-W217 WeakPolarHBondContact O-CZ2 3.24Å
184	E	93.2	Very high	95.4	Very high	137 Å²	137	46.3 Å²	46.3	64%	0.64	24%	0.235	S	C	*	.			trans	-113.1	120.5	169.7	-66.4	-64.2	165	0	0	109	R216 W217	E184-R216 IonicContact OE1-CZ 3.91Å; E184-R216 IonicContact OE1-NH2 2.67Å; E184-R216 PolarHBondContact OE1-NH2 3.02Å; E184-R216 IonicContact OE2-NH2 2.94Å; E184-R216 PolarHBondContact OE2-NH2 3.02Å; E184-W217 WeakPolarHBondContact OE2-CH2 3.28Å
185	L	93.3	Very high	95.4	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.079	22%	0.223	C	C	.	.			trans	-89.6	147.3	171.9	-60.1	-179	0	0	0	110.8	M126 Y149 L176 E187 V189 W217	M126-L185 HydrophobicContact SD-CD1 3.96Å; Y149-L185 HydrophobicContact CD1-CD2 4.34Å; Y149-L185 HydrophobicContact CD2-CD1 4.18Å; Y149-L185 HydrophobicContact CD2-CD2 4.09Å; Y149-L185 HydrophobicContact CG-CD2 3.92Å; L176-L185 HydrophobicContact CD1-CD2 3.27Å; L185-E187 WeakPolarHBondContact CB-O 3.23Å; L185-E187 PolarHBondContact O-N 3.35Å; L185-V189 HydrophobicContact CD1-CG1 4.13Å; L185-W217 HydrophobicContact CB-CD2 4.11Å; L185-W217 HydrophobicContact CB-CE3 3.71Å; L185-W217 HydrophobicContact CB-CH2 4.02Å; L185-W217 HydrophobicContact CB-CZ2 4.35Å; L185-W217 HydrophobicContact CB-CZ3 3.66Å; L185-W217 HydrophobicContact CD1-CB 4.05Å; L185-W217 HydrophobicContact CD1-CD2 3.68Å; L185-W217 HydrophobicContact CD1-CE3 3.97Å; L185-W217 HydrophobicContact CD1-CG 3.71Å; L185-W217 HydrophobicContact CG-CD2 3.9Å; L185-W217 HydrophobicContact CG-CE3 4.04Å; L185-W217 HydrophobicContact CG-CG 4.38Å; L185-W217 HydrophobicContact CG-CH2 4.47Å; L185-W217 HydrophobicContact CG-CZ2 4.31Å; L185-W217 HydrophobicContact CG-CZ3 4.33Å
186	P	91.9	Very high	95.4	Very high	106 Å²	106	44.3 Å²	44.3	69%	0.688	22%	0.221	S	C	*	.	S	Bend	trans	-61.8	-27.1	175.6	-23.5	34.1	0	0	0	114.2	Y149	Y149-P186 HydrophobicContact CE1-CG 4.2Å; Y149-P186 WeakPolarHBondContact OH-CG 3.42Å
187	E	96.3	Very high	95.5	Very high	101 Å²	101	42.9 Å²	42.9	47%	0.472	21%	0.214	S	C	.	.	S	Bend	trans	-154.8	165.3	-177.2	60.2	-171.8	110.8	0	0	111.2	V124 Y149 L185	V124-E187 HydrophobicContact CG1-CG 4.39Å; Y149-E187 HydrophobicContact CE2-CG 4.27Å; L185-E187 WeakPolarHBondContact CB-O 3.23Å; L185-E187 PolarHBondContact O-N 3.35Å
188	Q	98.2	Very high	95.4	Very high	105 Å²	105	39.8 Å²	39.8	49%	0.491	20%	0.2	S	C	.	.			trans	-69.8	155.8	168.7	-73.5	-172.8	-23	0	0	110.8	W217 R219	Q188-W217 CarbonylContact C-O 3.53Å; Q188-W217 VanDerWaalsContact CA-O 3.29Å; Q188-W217 WeakPolarHBondContact CA-O 3.21Å; Q188-W217 WeakPolarHBondContact CB-O 3.42Å; Q188-R219 HydrophobicContact CB-CB 4.14Å
189	V	98.7	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	152.4	-178.4	-55.1	0	0	0	0	112.1	V124 M126 Y149 L185 W217 L218 R219	V124-V189 HydrophobicContact CG1-CB 4.16Å; V124-V189 HydrophobicContact CG1-CG1 3.74Å; M126-V189 HydrophobicContact CB-CB 4.21Å; M126-V189 HydrophobicContact CB-CG1 3.85Å; M126-V189 HydrophobicContact CB-CG2 3.83Å; Y149-V189 HydrophobicContact CD2-CG1 3.95Å; Y149-V189 HydrophobicContact CE2-CG1 4.4Å; L185-V189 HydrophobicContact CD1-CG1 4.13Å; V189-W217 PolarHBondContact N-O 2.94Å; V189-L218 HydrophobicContact CG2-CD1 4.14Å; V189-R219 WeakPolarHBondContact O-CG 3.49Å; V189-R219 PolarHBondContact O-N 2.85Å
190	D	98.8	Very high	95.7	Very high	18 Å²	18	36.3 Å²	36.3	10%	0.096	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-33.9	176.1	-54.2	-41.6	0	0	0	111.7	K123 V124 R219 G222 V223	K123-D190 WeakPolarHBondContact CA-OD2 3.45Å; K123-D190 HydrophobicContact CB-CB 4.25Å; K123-D190 WeakPolarHBondContact CB-OD2 3.48Å; K123-D190 HydrophobicContact CD-CB 3.87Å; K123-D190 WeakPolarHBondContact CD-OD2 3.39Å; V124-D190 PolarHBondContact N-OD2 2.98Å; V124-D190 WeakPolarHBondContact O-CB 3.21Å; V124-D190 PolarHBondContact O-N 3.15Å; D190-R219 VanDerWaalsContact CG-CZ 3.47Å; D190-R219 WeakPolarHBondContact OD1-CD 3.17Å; D190-R219 IonicContact OD1-CZ 2.72Å; D190-R219 IonicContact OD1-NE 2.96Å; D190-R219 PolarHBondContact OD1-NE 2.79Å; D190-R219 IonicContact OD1-NH1 2.6Å; D190-R219 PolarHBondContact OD1-NH1 2.97Å; D190-R219 IonicContact OD1-NH2 3.45Å; D190-R219 PolarHBondContact OD1-NH2 3.26Å; D190-G222 CarbonylContact O-C 3.56Å; D190-G222 WeakPolarHBondContact O-CA 3.14Å; D190-V223 PolarHBondContact O-N 3.19Å
191	I	98.8	Very high	96.3	Very high	3 Å²	3	36 Å²	36	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.2	-176.6	-48.1	-64.6	0	0	0	108.3	L120 V124 V125 M126 V223 W225 L334	L120-I191 HydrophobicContact CD2-CG1 3.95Å; V124-I191 PolarHBondContact O-N 3.15Å; V125-I191 CarbonylContact C-O 3.52Å; V125-I191 WeakPolarHBondContact CA-O 3.42Å; V125-I191 HydrophobicContact CG1-CB 4.27Å; V125-I191 HydrophobicContact CG1-CG2 4.41Å; V125-I191 HydrophobicContact CG2-CB 4.2Å; V125-I191 HydrophobicContact CG2-CG1 4.32Å; M126-I191 PolarHBondContact N-O 3.08Å; I191-V223 WeakPolarHBondContact CA-O 3.3Å; I191-V223 HydrophobicContact CD1-CB 3.76Å; I191-V223 HydrophobicContact CD1-CG2 4.3Å; I191-W225 HydrophobicContact CG2-CD2 4.17Å; I191-W225 HydrophobicContact CG2-CE3 3.59Å; I191-W225 HydrophobicContact CG2-CZ3 3.85Å; I191-L334 HydrophobicContact CD1-CD1 3.98Å; I191-L334 HydrophobicContact CD1-CD2 3.48Å; I191-L334 VanDerWaalsContact CD1-CD2 3.48Å; I191-L334 HydrophobicContact CD1-CG 4.4Å
192	L	98.9	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111	166.8	-172.4	167.5	0	0	0	107.6	V210 A213 R214 L218 V223 M224 W225	L192-V210 HydrophobicContact CD2-CG1 4.1Å; L192-A213 HydrophobicContact CD1-CB 3.79Å; L192-R214 HydrophobicContact CD1-CB 4.24Å; L192-L218 HydrophobicContact CB-CD1 4.03Å; L192-V223 PolarHBondContact N-O 3.43Å; L192-M224 HydrophobicContact CB-SD 3.95Å; L192-M224 HydrophobicContact CD1-SD 4.14Å; L192-M224 HydrophobicContact CD2-CE 4.11Å; L192-M224 HydrophobicContact CD2-SD 4.2Å; L192-M224 HydrophobicContact CG-SD 4.33Å; L192-W225 PolarHBondContact O-N 2.82Å
193	V	98.9	Very high	97	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.8	174.4	62.4	0	0	0	0	109.6	Y109 V125 M126 D127 L128 I135 W225	Y109-V193 HydrophobicContact CD1-CG2 4.13Å; Y109-V193 HydrophobicContact CE1-CG2 3.92Å; V125-V193 HydrophobicContact CG1-CG1 3.84Å; M126-V193 WeakPolarHBondContact O-CG1 3.49Å; M126-V193 PolarHBondContact O-N 2.83Å; M126-V193 VanDerWaalsContact O-O 3.12Å; D127-V193 WeakPolarHBondContact CA-O 3.12Å; D127-V193 HydrophobicContact CB-CG1 4.18Å; L128-V193 PolarHBondContact N-O 2.98Å; I135-V193 HydrophobicContact CG2-CG1 3.93Å; I135-V193 HydrophobicContact CG2-CG2 3.99Å; V193-W225 CarbonylContact C-O 3.58Å; V193-W225 VanDerWaalsContact CA-O 3.3Å; V193-W225 WeakPolarHBondContact CA-O 3.5Å; V193-W225 HydrophobicContact CB-CB 4.01Å; V193-W225 HydrophobicContact CB-CE3 4.42Å; V193-W225 HydrophobicContact CG2-CB 3.86Å
194	S	98.9	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.8	175.8	-176.5	0	0	0	0	110	Y109 L128 M206 W225 P226	Y109-S194 PolarHBondContact OH-O 3.24Å; L128-S194 WeakPolarHBondContact O-CB 3.43Å; L128-S194 PolarHBondContact O-OG 3.3Å; S194-M206 WeakPolarHBondContact OG-CE 3.47Å; S194-W225 PolarHBondContact N-O 3.32Å; S194-P226 VanDerWaalsContact O-CD 3.31Å; S194-P226 WeakPolarHBondContact O-CD 3.45Å
195	E	98.7	Very high	97.6	Very high	18 Å²	18	20.9 Å²	20.9	8%	0.084	11%	0.11	C	C	.	.			trans	-105.3	94.6	167.2	-161.1	-72.5	103.8	0	0	107.8	R105 Y109 I135 M197 W354	R105-E195 IonicContact CZ-OE2 2.67Å; R105-E195 IonicContact NE-OE2 3.65Å; R105-E195 PolarHBondContact NE-OE2 2.87Å; R105-E195 IonicContact NH2-OE2 3.89Å; R105-E195 PolarHBondContact NH2-OE2 3.05Å; Y109-E195 HydrophobicContact CD2-CG 4.38Å; Y109-E195 HydrophobicContact CE1-CB 4.27Å; Y109-E195 HydrophobicContact CE2-CB 3.94Å; Y109-E195 HydrophobicContact CE2-CG 3.44Å; Y109-E195 VanDerWaalsContact CE2-CG 3.44Å; Y109-E195 WeakPolarHBondContact OH-CA 3.45Å; Y109-E195 WeakPolarHBondContact OH-CB 3.44Å; Y109-E195 WeakPolarHBondContact OH-CG 3.36Å; I135-E195 HydrophobicContact CD1-CB 4.28Å; E195-M197 HydrophobicContact CG-CE 4.1Å; E195-M197 WeakPolarHBondContact OE1-CE 3.49Å; E195-M197 PolarHBondContact OE1-N 2.91Å; E195-W354 HydrophobicContact CG-CH2 4.39Å; E195-W354 WeakPolarHBondContact OE1-CH2 3.45Å; E195-W354 WeakPolarHBondContact OE1-CZ2 3.28Å
196	W	98.6	Very high	97.8	Very high	9 Å²	9	21.4 Å²	21.4	3%	0.034	11%	0.112	C	C	.	.			trans	-113.8	-3.7	-169	56.1	-96	0	0	0	113.6	G198 L201 L202 M206 V207 V210 P226 A229 L293 M295	W196-G198 PolarHBondContact O-N 2.87Å; W196-L201 HydrophobicContact CH2-CD1 3.55Å; W196-L201 HydrophobicContact CH2-CG 3.99Å; W196-L201 HydrophobicContact CZ2-CD1 4.47Å; W196-L201 HydrophobicContact CZ3-CD1 3.73Å; W196-L201 HydrophobicContact CZ3-CG 4.05Å; W196-L201 WeakPolarHBondContact CZ3-O 3.39Å; W196-L202 HydrophobicContact CZ3-CD2 4.38Å; W196-M206 HydrophobicContact CB-CB 4.16Å; W196-M206 HydrophobicContact CB-CE 4.11Å; W196-M206 HydrophobicContact CB-CG 3.82Å; W196-M206 HydrophobicContact CB-SD 3.87Å; W196-V207 HydrophobicContact CD2-CB 4.14Å; W196-V207 HydrophobicContact CD2-CG2 4.28Å; W196-V207 HydrophobicContact CE3-CB 3.59Å; W196-V207 HydrophobicContact CE3-CG2 4Å; W196-V207 HydrophobicContact CH2-CB 4.32Å; W196-V207 HydrophobicContact CH2-CG2 3.92Å; W196-V207 HydrophobicContact CZ2-CG2 4.2Å; W196-V207 HydrophobicContact CZ3-CB 3.7Å; W196-V207 HydrophobicContact CZ3-CG2 3.83Å; W196-V210 HydrophobicContact CB-CG2 3.74Å; W196-V210 HydrophobicContact CG-CG2 3.78Å; W196-P226 HydrophobicContact CZ2-CG 4.28Å; W196-A229 HydrophobicContact CH2-CB 4.27Å; W196-A229 HydrophobicContact CZ2-CB 4.37Å; W196-L293 HydrophobicContact CH2-CD1 4.12Å; W196-M295 HydrophobicContact CH2-CE 4.35Å; W196-M295 HydrophobicContact CH2-SD 4.39Å; W196-M295 HydrophobicContact CZ2-CE 3.62Å; W196-M295 HydrophobicContact CZ2-SD 3.82Å
197	M	98.8	Very high	98.1	Very high	8 Å²	8	16.4 Å²	16.4	4%	0.039	8%	0.08	C	C	.	.			trans	-75.7	128.7	-164.9	-60.7	83.6	64.9	0	0	111	E195 L201 P226 F327 V329 L343 W354	E195-M197 HydrophobicContact CG-CE 4.1Å; E195-M197 WeakPolarHBondContact OE1-CE 3.49Å; E195-M197 PolarHBondContact OE1-N 2.91Å; M197-L201 HydrophobicContact CB-CD1 4.18Å; M197-L201 HydrophobicContact CG-CD1 3.69Å; M197-P226 HydrophobicContact SD-CG 4.16Å; M197-F327 HydrophobicContact CB-CD2 4.44Å; M197-F327 HydrophobicContact CB-CE1 4.15Å; M197-F327 HydrophobicContact CB-CE2 3.71Å; M197-F327 HydrophobicContact CB-CZ 3.53Å; M197-F327 HydrophobicContact CE-CE2 4.1Å; M197-F327 HydrophobicContact CG-CD2 4.42Å; M197-F327 HydrophobicContact CG-CE2 3.93Å; M197-F327 HydrophobicContact CG-CZ 4.28Å; M197-V329 HydrophobicContact CE-CG1 4.2Å; M197-V329 HydrophobicContact CE-CG2 3.82Å; M197-V329 HydrophobicContact CG-CG1 3.89Å; M197-V329 HydrophobicContact SD-CG1 4.08Å; M197-V329 HydrophobicContact SD-CG2 4.48Å; M197-L343 HydrophobicContact CE-CD2 4.05Å; M197-W354 HydrophobicContact CB-CZ2 4.38Å; M197-W354 HydrophobicContact CE-CH2 4.24Å; M197-W354 PolarHBondContact O-NE1 3.31Å
198	G	97.1	Very high	98.2	Very high	5 Å²	5	13 Å²	13	5%	0.052	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-101.4	-172.7	175	0	0	0	0	0	113.6	W196 C200 L201 F203 F327	W196-G198 PolarHBondContact O-N 2.87Å; G198-C200 PolarHBondContact O-N 3.42Å; G198-L201 PolarHBondContact N-O 2.86Å; G198-L201 WeakPolarHBondContact O-CA 3.34Å; G198-L201 PolarHBondContact O-N 2.94Å; G198-F203 WeakPolarHBondContact CA-O 3.43Å; G198-F327 WeakPolarHBondContact O-CE1 3.26Å
199	N	96.5	Very high	98.3	Very high	20 Å²	20	9 Å²	9	11%	0.107	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	136.3	168.7	-76.3	-77.5	0	0	0	110.3	L201 F203 F274 M413	N199-L201 PolarHBondContact O-N 3.23Å; N199-F203 HydrophobicContact CB-CB 4.15Å; N199-F203 HydrophobicContact CB-CD1 4.35Å; N199-F203 WeakPolarHBondContact O-CB 3.42Å; N199-F203 PolarHBondContact O-N 2.99Å; N199-F274 HydrophobicContact CB-CD1 3.99Å; N199-F274 HydrophobicContact CB-CE1 3.82Å; N199-F274 HydrophobicContact CB-CE2 4.44Å; N199-F274 HydrophobicContact CB-CG 4.42Å; N199-F274 HydrophobicContact CB-CZ 4.06Å; N199-M413 HydrophobicContact CB-CE 4.07Å
200	C	97.4	Very high	98.3	Very high	4 Å²	4	9.1 Å²	9.1	3%	0.027	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.2	-171.6	-66.8	0	0	0	0	113.1	G198 L202 L231 T357 F359 M389 M413	G198-C200 PolarHBondContact O-N 3.42Å; C200-L202 PolarHBondContact O-N 2.86Å; C200-L231 HydrophobicContact CB-CD1 4.15Å; C200-T357 WeakPolarHBondContact SG-CB 3.48Å; C200-T357 VanDerWaalsContact SG-CG2 3.59Å; C200-F359 VanDerWaalsContact SG-CZ 3.57Å; C200-M389 HydrophobicContact CB-CE 3.88Å; C200-M413 HydrophobicContact CB-CE 3.82Å
201	L	98.6	Very high	98.3	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.01	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	68.4	-49.3	179.1	-174.3	61	0	0	0	115	W196 M197 G198 N199 A229 L231 L293 F327 V329	W196-L201 HydrophobicContact CH2-CD1 3.55Å; W196-L201 HydrophobicContact CH2-CG 3.99Å; W196-L201 HydrophobicContact CZ2-CD1 4.47Å; W196-L201 HydrophobicContact CZ3-CD1 3.73Å; W196-L201 HydrophobicContact CZ3-CG 4.05Å; W196-L201 WeakPolarHBondContact CZ3-O 3.39Å; M197-L201 HydrophobicContact CB-CD1 4.18Å; M197-L201 HydrophobicContact CG-CD1 3.69Å; G198-L201 PolarHBondContact N-O 2.86Å; G198-L201 WeakPolarHBondContact O-CA 3.34Å; G198-L201 PolarHBondContact O-N 2.94Å; N199-L201 PolarHBondContact O-N 3.23Å; L201-A229 HydrophobicContact CD1-CB 3.86Å; L201-A229 HydrophobicContact CD2-CB 3.75Å; L201-A229 HydrophobicContact CG-CB 4.41Å; L201-L231 HydrophobicContact CB-CD1 4.38Å; L201-L293 HydrophobicContact CD2-CD1 3.8Å; L201-L293 HydrophobicContact CD2-CG 4.32Å; L201-L293 HydrophobicContact CG-CD1 4.45Å; L201-F327 HydrophobicContact CB-CB 4.02Å; L201-F327 HydrophobicContact CB-CD1 4.4Å; L201-F327 HydrophobicContact CB-CG 4.33Å; L201-F327 HydrophobicContact CD1-CB 4.12Å; L201-F327 HydrophobicContact CD1-CD2 4.19Å; L201-F327 HydrophobicContact CD1-CG 4.07Å; L201-V329 HydrophobicContact CD1-CG1 4.35Å
202	L	98.6	Very high	98.2	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.016	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-14	-165.6	-65	-178.2	0	0	0	115.4	W196 C200 F205 V207 L293 L303 M306 L379 M389	W196-L202 HydrophobicContact CZ3-CD2 4.38Å; C200-L202 PolarHBondContact O-N 2.86Å; L202-F205 HydrophobicContact CB-CZ 4.47Å; L202-F205 WeakPolarHBondContact O-CA 3.45Å; L202-F205 WeakPolarHBondContact O-CD2 3.33Å; L202-F205 PolarHBondContact O-N 2.88Å; L202-V207 HydrophobicContact CD2-CG1 3.88Å; L202-L293 HydrophobicContact CD2-CD1 3.96Å; L202-L303 HydrophobicContact CD2-CD2 4.36Å; L202-M306 HydrophobicContact CD1-SD 3.81Å; L202-L379 HydrophobicContact CD1-CD2 3.92Å; L202-M389 HydrophobicContact CB-CE 4.23Å; L202-M389 HydrophobicContact CB-SD 4.02Å
203	F	97	Very high	98.2	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.026	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	142.8	-179.6	-177.6	-109.9	0	0	0	111.1	G198 N199 F205 F274 H388 M389 M413 R415	G198-F203 WeakPolarHBondContact CA-O 3.43Å; N199-F203 HydrophobicContact CB-CB 4.15Å; N199-F203 HydrophobicContact CB-CD1 4.35Å; N199-F203 WeakPolarHBondContact O-CB 3.42Å; N199-F203 PolarHBondContact O-N 2.99Å; F203-F205 PolarHBondContact O-N 2.67Å; F203-F274 HydrophobicContact CE1-CE2 4.45Å; F203-H388 AromaticContact CE2-ND1 3.61Å; F203-M389 HydrophobicContact CB-CE 4.39Å; F203-M413 HydrophobicContact CB-CE 4.24Å; F203-M413 HydrophobicContact CD2-CB 3.92Å; F203-M413 HydrophobicContact CE2-CB 4.32Å; F203-M413 VanDerWaalsContact CE2-O 3.23Å; F203-M413 WeakPolarHBondContact CE2-O 3.49Å; F203-R415 HydrophobicContact CE1-CG 3.83Å; F203-R415 HydrophobicContact CZ-CG 3.96Å
204	E	96.7	Very high	98.2	Very high	12 Å²	12	11.9 Å²	11.9	6%	0.056	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-20	-165.9	-50.7	-178.5	171.5	0	0	115.9	Y86 Y90 M206 R387 R415	Y86-E204 HydrophobicContact CE2-CB 4.02Å; Y86-E204 HydrophobicContact CE2-CG 4.12Å; Y86-E204 VanDerWaalsContact CE2-OE2 3.29Å; Y86-E204 WeakPolarHBondContact CE2-OE2 3.46Å; Y86-E204 PolarHBondContact OH-OE2 2.95Å; Y90-E204 PolarHBondContact OH-OE2 2.83Å; E204-M206 PolarHBondContact O-N 2.77Å; E204-M206 VanDerWaalsContact O-N 3.13Å; E204-R387 VanDerWaalsContact CA-O 3.32Å; E204-R387 WeakPolarHBondContact CA-O 3.32Å; E204-R387 PolarHBondContact N-O 3.04Å; E204-R387 WeakPolarHBondContact O-CG 3.29Å; E204-R387 PolarHBondContact O-NH1 2.84Å; E204-R415 IonicContact OE1-CZ 3.84Å; E204-R415 IonicContact OE1-NH1 3.52Å; E204-R415 PolarHBondContact OE1-NH1 3.01Å; E204-R415 IonicContact OE1-NH2 2.69Å; E204-R415 PolarHBondContact OE1-NH2 3.3Å
205	F	98.3	Very high	98.2	Very high	2 Å²	2	16 Å²	16	1%	0.009	8%	0.084	C	C	.	.			trans	53.4	27.5	178.4	-73.6	-97.5	0	0	0	115	W81 L202 F203 V207 E208 L303 R381 R386 H388 M389	W81-F205 HydrophobicContact CZ3-CB 4.46Å; L202-F205 HydrophobicContact CB-CZ 4.47Å; L202-F205 WeakPolarHBondContact O-CA 3.45Å; L202-F205 WeakPolarHBondContact O-CD2 3.33Å; L202-F205 PolarHBondContact O-N 2.88Å; F203-F205 PolarHBondContact O-N 2.67Å; F205-V207 PolarHBondContact O-N 3.28Å; F205-V207 VanDerWaalsContact O-N 3.07Å; F205-E208 WeakPolarHBondContact O-CB 3.26Å; F205-E208 PolarHBondContact O-N 2.89Å; F205-L303 HydrophobicContact CE1-CB 4.35Å; F205-R381 HydrophobicContact CD1-CG 4.27Å; F205-R381 HydrophobicContact CD2-CG 4.48Å; F205-R381 HydrophobicContact CE1-CB 4.04Å; F205-R381 HydrophobicContact CE1-CG 3.74Å; F205-R381 HydrophobicContact CE2-CG 3.98Å; F205-R381 HydrophobicContact CZ-CB 3.82Å; F205-R381 HydrophobicContact CZ-CG 3.58Å; F205-R386 WeakPolarHBondContact CB-O 3.29Å; F205-R386 WeakPolarHBondContact CD2-O 3.38Å; F205-H388 WeakPolarHBondContact CE2-O 3.04Å; F205-M389 HydrophobicContact CE2-CB 3.78Å; F205-M389 HydrophobicContact CE2-CG 4.11Å; F205-M389 HydrophobicContact CE2-SD 4.19Å; F205-M389 HydrophobicContact CZ-CB 3.87Å; F205-M389 HydrophobicContact CZ-CG 4.37Å; F205-M389 HydrophobicContact CZ-SD 4.08Å
206	M	98.5	Very high	98.1	Very high	27 Å²	27	19.6 Å²	19.6	13%	0.133	10%	0.097	C	C	.	.	H	α-helix	trans	-57.1	-24.1	171.2	-178.6	178	167.7	0	0	112.1	S194 W196 E204 E208 S209 V210	S194-M206 WeakPolarHBondContact OG-CE 3.47Å; W196-M206 HydrophobicContact CB-CB 4.16Å; W196-M206 HydrophobicContact CB-CE 4.11Å; W196-M206 HydrophobicContact CB-CG 3.82Å; W196-M206 HydrophobicContact CB-SD 3.87Å; E204-M206 PolarHBondContact O-N 2.77Å; E204-M206 VanDerWaalsContact O-N 3.13Å; M206-E208 PolarHBondContact O-N 2.87Å; M206-E208 VanDerWaalsContact O-N 3.15Å; M206-S209 WeakPolarHBondContact O-CB 3.42Å; M206-S209 PolarHBondContact O-N 3.07Å; M206-V210 PolarHBondContact O-N 2.77Å
207	V	98.6	Very high	98.1	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-52.4	-32.9	171.8	68.9	0	0	0	0	112.7	W196 L202 F205 S209 V210 L211 M295 L303	W196-V207 HydrophobicContact CD2-CB 4.14Å; W196-V207 HydrophobicContact CD2-CG2 4.28Å; W196-V207 HydrophobicContact CE3-CB 3.59Å; W196-V207 HydrophobicContact CE3-CG2 4Å; W196-V207 HydrophobicContact CH2-CB 4.32Å; W196-V207 HydrophobicContact CH2-CG2 3.92Å; W196-V207 HydrophobicContact CZ2-CG2 4.2Å; W196-V207 HydrophobicContact CZ3-CB 3.7Å; W196-V207 HydrophobicContact CZ3-CG2 3.83Å; L202-V207 HydrophobicContact CD2-CG1 3.88Å; F205-V207 PolarHBondContact O-N 3.28Å; F205-V207 VanDerWaalsContact O-N 3.07Å; V207-S209 PolarHBondContact O-N 2.8Å; V207-V210 WeakPolarHBondContact O-CB 3.4Å; V207-V210 PolarHBondContact O-N 2.74Å; V207-V210 VanDerWaalsContact O-N 3.15Å; V207-L211 HydrophobicContact CG2-CG 4.37Å; V207-L211 VanDerWaalsContact O-CG 3.31Å; V207-L211 WeakPolarHBondContact O-CG 3.46Å; V207-L211 PolarHBondContact O-N 2.77Å; V207-M295 HydrophobicContact CG2-CE 3.75Å; V207-L303 HydrophobicContact CG1-CD1 3.6Å; V207-L303 HydrophobicContact CG1-CD2 4.44Å
208	E	98.5	Very high	98.1	Very high	30 Å²	30	20.7 Å²	20.7	14%	0.14	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-47.3	176.7	179.9	168.1	156.7	0	0	111.1	W81 F205 M206 V210 L211 L212 V300 R381	W81-E208 HydrophobicContact CH2-CB 4.08Å; W81-E208 VanDerWaalsContact CH2-CD 3.47Å; W81-E208 HydrophobicContact CH2-CG 4.16Å; W81-E208 VanDerWaalsContact CH2-OE2 3.26Å; W81-E208 WeakPolarHBondContact CH2-OE2 3.35Å; W81-E208 WeakPolarHBondContact CZ2-OE1 3.42Å; W81-E208 WeakPolarHBondContact CZ2-OE2 3.46Å; F205-E208 WeakPolarHBondContact O-CB 3.26Å; F205-E208 PolarHBondContact O-N 2.89Å; M206-E208 PolarHBondContact O-N 2.87Å; M206-E208 VanDerWaalsContact O-N 3.15Å; E208-V210 PolarHBondContact O-N 3.09Å; E208-L211 PolarHBondContact O-N 3.3Å; E208-L211 VanDerWaalsContact O-N 3.11Å; E208-L212 HydrophobicContact CG-CD1 4.08Å; E208-L212 HydrophobicContact CG-CG 4.39Å; E208-L212 WeakPolarHBondContact O-CG 3.44Å; E208-L212 PolarHBondContact O-N 2.86Å; E208-V300 HydrophobicContact CG-CG1 3.77Å; E208-V300 HydrophobicContact CG-CG2 3.94Å; E208-R381 IonicContact OE2-CZ 2.75Å; E208-R381 IonicContact OE2-NH1 3.27Å; E208-R381 PolarHBondContact OE2-NH1 3.11Å; E208-R381 IonicContact OE2-NH2 3.1Å; E208-R381 PolarHBondContact OE2-NH2 2.96Å
209	S	98.4	Very high	98.1	Very high	21 Å²	21	24.8 Å²	24.8	15%	0.147	12%	0.116	C	C	.	.	H	α-helix	trans	-58.9	-36.7	174.6	-57.5	0	0	0	0	112	E181 M206 V207 A213	E181-S209 VanDerWaalsContact OE1-CA 3.32Å; E181-S209 WeakPolarHBondContact OE1-CA 3.33Å; E181-S209 WeakPolarHBondContact OE1-CB 3.39Å; E181-S209 PolarHBondContact OE1-OG 2.82Å; M206-S209 WeakPolarHBondContact O-CB 3.42Å; M206-S209 PolarHBondContact O-N 3.07Å; V207-S209 PolarHBondContact O-N 2.8Å; S209-A213 VanDerWaalsContact O-CB 3.26Å; S209-A213 WeakPolarHBondContact O-CB 3.38Å; S209-A213 PolarHBondContact O-N 3.38Å
210	V	98.8	Very high	98.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-65.2	-43.3	175.2	174.3	0	0	0	0	111.6	L128 L192 W196 M206 V207 E208 A213 R214 M224 M295	L128-V210 HydrophobicContact CD2-CB 4.44Å; L128-V210 HydrophobicContact CD2-CG2 3.98Å; L192-V210 HydrophobicContact CD2-CG1 4.1Å; W196-V210 HydrophobicContact CB-CG2 3.74Å; W196-V210 HydrophobicContact CG-CG2 3.78Å; M206-V210 PolarHBondContact O-N 2.77Å; V207-V210 WeakPolarHBondContact O-CB 3.4Å; V207-V210 PolarHBondContact O-N 2.74Å; V207-V210 VanDerWaalsContact O-N 3.15Å; E208-V210 PolarHBondContact O-N 3.09Å; V210-A213 PolarHBondContact O-N 2.88Å; V210-R214 WeakPolarHBondContact O-CB 3.22Å; V210-R214 PolarHBondContact O-N 3.01Å; V210-M224 HydrophobicContact CG1-CE 3.61Å; V210-M295 HydrophobicContact CG1-CE 4.48Å
211	L	98.8	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.3	-40.6	178	-60.3	-174.6	0	0	0	111.7	V207 E208 A213 R214 D215 M295 V298 V300 L303	V207-L211 HydrophobicContact CG2-CG 4.37Å; V207-L211 VanDerWaalsContact O-CG 3.31Å; V207-L211 WeakPolarHBondContact O-CG 3.46Å; V207-L211 PolarHBondContact O-N 2.77Å; E208-L211 PolarHBondContact O-N 3.3Å; E208-L211 VanDerWaalsContact O-N 3.11Å; L211-A213 VanDerWaalsContact C-N 3.34Å; L211-R214 WeakPolarHBondContact O-CB 3.26Å; L211-R214 PolarHBondContact O-N 2.8Å; L211-D215 VanDerWaalsContact O-CG 3.23Å; L211-D215 PolarHBondContact O-N 3.2Å; L211-M295 HydrophobicContact CD2-CE 3.92Å; L211-V298 HydrophobicContact CD1-CG1 4.01Å; L211-V298 HydrophobicContact CD2-CG1 3.65Å; L211-V298 HydrophobicContact CG-CG1 4.49Å; L211-V300 HydrophobicContact CB-CG2 4.08Å; L211-V300 HydrophobicContact CD1-CG2 4.18Å; L211-L303 HydrophobicContact CD1-CD1 3.94Å; L211-L303 HydrophobicContact CD1-CG 4.49Å
212	L	98.4	Very high	98	Very high	64 Å²	64	35.5 Å²	35.5	34%	0.335	19%	0.192	S	C	.	.	H	α-helix	trans	-63.9	-40.9	175.3	-66.9	175	0	0	0	111.5	E181 E208 D215 R216 V300	E181-L212 HydrophobicContact CG-CD1 3.72Å; E208-L212 HydrophobicContact CG-CD1 4.08Å; E208-L212 HydrophobicContact CG-CG 4.39Å; E208-L212 WeakPolarHBondContact O-CG 3.44Å; E208-L212 PolarHBondContact O-N 2.86Å; L212-D215 PolarHBondContact O-N 3.31Å; L212-R216 VanDerWaalsContact O-CB 3.28Å; L212-R216 WeakPolarHBondContact O-CB 3.37Å; L212-R216 PolarHBondContact O-N 3.38Å; L212-R216 VanDerWaalsContact O-N 3.08Å; L212-V300 HydrophobicContact CD2-CG2 4.39Å
213	A	98.4	Very high	98	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-38.8	174.1	0	0	0	0	0	112.3	M126 L128 A180 L192 S209 V210 L211 R216 W217	M126-A213 HydrophobicContact CE-CB 3.75Å; M126-A213 HydrophobicContact SD-CB 4.38Å; L128-A213 HydrophobicContact CD2-CB 3.68Å; A180-A213 HydrophobicContact CB-CB 4.38Å; L192-A213 HydrophobicContact CD1-CB 3.79Å; S209-A213 VanDerWaalsContact O-CB 3.26Å; S209-A213 WeakPolarHBondContact O-CB 3.38Å; S209-A213 PolarHBondContact O-N 3.38Å; V210-A213 PolarHBondContact O-N 2.88Å; L211-A213 VanDerWaalsContact C-N 3.34Å; A213-R216 PolarHBondContact O-N 2.82Å; A213-W217 WeakPolarHBondContact O-CA 3.3Å; A213-W217 VanDerWaalsContact O-CB 3.31Å; A213-W217 WeakPolarHBondContact O-CB 3.31Å; A213-W217 PolarHBondContact O-N 2.88Å
214	R	98.5	Very high	98	Very high	14 Å²	14	36.4 Å²	36.4	5%	0.053	20%	0.198	C	C	.	.	H	α-helix	trans	-57.1	-54	172.5	176.6	-161	71.1	-165	-3.3	110.3	L192 V210 L211 R216 L218 M224 M295 V298	L192-R214 HydrophobicContact CD1-CB 4.24Å; V210-R214 WeakPolarHBondContact O-CB 3.22Å; V210-R214 PolarHBondContact O-N 3.01Å; L211-R214 WeakPolarHBondContact O-CB 3.26Å; L211-R214 PolarHBondContact O-N 2.8Å; R214-R216 PolarHBondContact O-N 3.24Å; R214-L218 HydrophobicContact CG-CB 4.32Å; R214-L218 HydrophobicContact CG-CD2 3.98Å; R214-L218 VanDerWaalsContact O-CB 3.23Å; R214-L218 WeakPolarHBondContact O-CB 3.27Å; R214-L218 PolarHBondContact O-N 2.68Å; R214-L218 VanDerWaalsContact O-N 3.11Å; R214-M224 HydrophobicContact CB-CE 3.98Å; R214-M224 HydrophobicContact CB-SD 3.8Å; R214-M224 HydrophobicContact CG-CE 4.23Å; R214-M224 HydrophobicContact CG-CG 4.41Å; R214-M224 HydrophobicContact CG-SD 3.66Å; R214-M295 VanDerWaalsContact CD-O 3.25Å; R214-M295 WeakPolarHBondContact CD-O 3.42Å; R214-M295 PolarHBondContact NH1-O 3.42Å; R214-V298 PolarHBondContact NH1-O 2.84Å; R214-V298 PolarHBondContact NH2-O 3.49Å
215	D	98.1	Very high	98.1	Very high	88 Å²	88	36 Å²	36	47%	0.471	20%	0.196	S	C	.	.	H	α-helix	trans	-65.8	-29.2	-173.6	-66.1	-14.4	0	0	0	112.5	L211 L212	L211-D215 VanDerWaalsContact O-CG 3.23Å; L211-D215 PolarHBondContact O-N 3.2Å; L212-D215 PolarHBondContact O-N 3.31Å
216	R	97.6	Very high	98.2	Very high	93 Å²	93	35.9 Å²	35.9	35%	0.351	20%	0.196	S	C	.	.	H	α-helix	trans	-91.1	-44.9	-178.4	-173.6	174	175.8	164.3	1.1	113.6	E181 E184 L212 A213 R214	E181-R216 PolarHBondContact O-NH1 2.87Å; E181-R216 VanDerWaalsContact O-NH1 3.07Å; E184-R216 IonicContact OE1-CZ 3.91Å; E184-R216 IonicContact OE1-NH2 2.67Å; E184-R216 PolarHBondContact OE1-NH2 3.02Å; E184-R216 IonicContact OE2-NH2 2.94Å; E184-R216 PolarHBondContact OE2-NH2 3.02Å; L212-R216 VanDerWaalsContact O-CB 3.28Å; L212-R216 WeakPolarHBondContact O-CB 3.37Å; L212-R216 PolarHBondContact O-N 3.38Å; L212-R216 VanDerWaalsContact O-N 3.08Å; A213-R216 PolarHBondContact O-N 2.82Å; R214-R216 PolarHBondContact O-N 3.24Å
217	W	98.3	Very high	98.2	Very high	21 Å²	21	34.7 Å²	34.7	8%	0.08	19%	0.19	C	C	.	.	H	α-helix	trans	-113	-24.9	-163.8	-62	120.7	0	0	0	114.4	M126 L183 E184 L185 Q188 V189 A213 R219	M126-W217 HydrophobicContact SD-CB 4.15Å; M126-W217 HydrophobicContact SD-CG 4.42Å; L183-W217 VanDerWaalsContact O-CZ2 3.26Å; L183-W217 WeakPolarHBondContact O-CZ2 3.24Å; E184-W217 WeakPolarHBondContact OE2-CH2 3.28Å; L185-W217 HydrophobicContact CB-CD2 4.11Å; L185-W217 HydrophobicContact CB-CE3 3.71Å; L185-W217 HydrophobicContact CB-CH2 4.02Å; L185-W217 HydrophobicContact CB-CZ2 4.35Å; L185-W217 HydrophobicContact CB-CZ3 3.66Å; L185-W217 HydrophobicContact CD1-CB 4.05Å; L185-W217 HydrophobicContact CD1-CD2 3.68Å; L185-W217 HydrophobicContact CD1-CE3 3.97Å; L185-W217 HydrophobicContact CD1-CG 3.71Å; L185-W217 HydrophobicContact CG-CD2 3.9Å; L185-W217 HydrophobicContact CG-CE3 4.04Å; L185-W217 HydrophobicContact CG-CG 4.38Å; L185-W217 HydrophobicContact CG-CH2 4.47Å; L185-W217 HydrophobicContact CG-CZ2 4.31Å; L185-W217 HydrophobicContact CG-CZ3 4.33Å; Q188-W217 CarbonylContact C-O 3.53Å; Q188-W217 VanDerWaalsContact CA-O 3.29Å; Q188-W217 WeakPolarHBondContact CA-O 3.21Å; Q188-W217 WeakPolarHBondContact CB-O 3.42Å; V189-W217 PolarHBondContact N-O 2.94Å; A213-W217 WeakPolarHBondContact O-CA 3.3Å; A213-W217 VanDerWaalsContact O-CB 3.31Å; A213-W217 WeakPolarHBondContact O-CB 3.31Å; A213-W217 PolarHBondContact O-N 2.88Å; W217-R219 PolarHBondContact O-N 2.82Å
218	L	98.6	Very high	98.2	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.099	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.6	177.2	-168.4	68.9	0	0	0	109.3	V189 L192 R214 M224	V189-L218 HydrophobicContact CG2-CD1 4.14Å; L192-L218 HydrophobicContact CB-CD1 4.03Å; R214-L218 HydrophobicContact CG-CB 4.32Å; R214-L218 HydrophobicContact CG-CD2 3.98Å; R214-L218 VanDerWaalsContact O-CB 3.23Å; R214-L218 WeakPolarHBondContact O-CB 3.27Å; R214-L218 PolarHBondContact O-N 2.68Å; R214-L218 VanDerWaalsContact O-N 3.11Å; L218-M224 HydrophobicContact CD2-CG 3.9Å; L218-M224 HydrophobicContact CD2-SD 3.72Å
219	R	98.2	Very high	98.2	Very high	91 Å²	91	34.9 Å²	34.9	34%	0.343	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	161.3	175.1	73.7	-175.6	-169	172.3	-3.1	111.7	Q188 V189 D190 W217 G221 G222	Q188-R219 HydrophobicContact CB-CB 4.14Å; V189-R219 WeakPolarHBondContact O-CG 3.49Å; V189-R219 PolarHBondContact O-N 2.85Å; D190-R219 VanDerWaalsContact CG-CZ 3.47Å; D190-R219 WeakPolarHBondContact OD1-CD 3.17Å; D190-R219 IonicContact OD1-CZ 2.72Å; D190-R219 IonicContact OD1-NE 2.96Å; D190-R219 PolarHBondContact OD1-NE 2.79Å; D190-R219 IonicContact OD1-NH1 2.6Å; D190-R219 PolarHBondContact OD1-NH1 2.97Å; D190-R219 IonicContact OD1-NH2 3.45Å; D190-R219 PolarHBondContact OD1-NH2 3.26Å; W217-R219 PolarHBondContact O-N 2.82Å; R219-G221 PolarHBondContact O-N 2.77Å; R219-G222 PolarHBondContact O-N 2.91Å
220	D	97.1	Very high	98.2	Very high	166 Å²	166	34.5 Å²	34.5	89%	0.888	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	125.5	169	-73.7	-10.6	0	0	0	111.3	G222	D220-G222 VanDerWaalsContact C-N 3.26Å; D220-G222 PolarHBondContact O-N 2.7Å
221	G	95.2	Very high	98.2	Very high	77 Å²	77	34.5 Å²	34.5	79%	0.794	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	73.8	12.7	-175.7	0	0	0	0	0	114.7	R219	R219-G221 PolarHBondContact O-N 2.77Å
222	G	97.4	Very high	98.2	Very high	7 Å²	7	34.6 Å²	34.6	7%	0.072	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	166.8	165.8	0	0	0	0	0	112.4	D190 R219 D220	D190-G222 CarbonylContact O-C 3.56Å; D190-G222 WeakPolarHBondContact O-CA 3.14Å; R219-G222 PolarHBondContact O-N 2.91Å; D220-G222 VanDerWaalsContact C-N 3.26Å; D220-G222 PolarHBondContact O-N 2.7Å
223	V	98.1	Very high	98.2	Very high	26 Å²	26	31.6 Å²	31.6	16%	0.158	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.3	-175.7	174.9	0	0	0	0	111	D190 I191 L192 L334	D190-V223 PolarHBondContact O-N 3.19Å; I191-V223 WeakPolarHBondContact CA-O 3.3Å; I191-V223 HydrophobicContact CD1-CB 3.76Å; I191-V223 HydrophobicContact CD1-CG2 4.3Å; L192-V223 PolarHBondContact N-O 3.43Å; V223-L334 HydrophobicContact CB-CD2 3.83Å; V223-L334 HydrophobicContact CG1-CD2 3.81Å; V223-L334 HydrophobicContact CG2-CD2 3.62Å
224	M	98.4	Very high	98.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.8	173.5	-69.3	-67.5	-71.3	0	0	109.6	L192 V210 R214 L218 P226 S227 M295 Y296	L192-M224 HydrophobicContact CB-SD 3.95Å; L192-M224 HydrophobicContact CD1-SD 4.14Å; L192-M224 HydrophobicContact CD2-CE 4.11Å; L192-M224 HydrophobicContact CD2-SD 4.2Å; L192-M224 HydrophobicContact CG-SD 4.33Å; V210-M224 HydrophobicContact CG1-CE 3.61Å; R214-M224 HydrophobicContact CB-CE 3.98Å; R214-M224 HydrophobicContact CB-SD 3.8Å; R214-M224 HydrophobicContact CG-CE 4.23Å; R214-M224 HydrophobicContact CG-CG 4.41Å; R214-M224 HydrophobicContact CG-SD 3.66Å; L218-M224 HydrophobicContact CD2-CG 3.9Å; L218-M224 HydrophobicContact CD2-SD 3.72Å; M224-P226 CarbonylContact C-O 3.5Å; M224-P226 CarbonylContact O-C 3.47Å; M224-S227 VanDerWaalsContact O-CA 3.28Å; M224-S227 WeakPolarHBondContact O-CA 3.21Å; M224-S227 WeakPolarHBondContact O-CB 3.48Å; M224-S227 PolarHBondContact O-N 3.46Å; M224-M295 HydrophobicContact CB-CB 4.18Å; M224-M295 HydrophobicContact CE-CB 4.28Å; M224-M295 HydrophobicContact CG-CB 4.45Å; M224-Y296 HydrophobicContact CB-CE1 4.07Å; M224-Y296 HydrophobicContact CB-CE2 4.44Å; M224-Y296 HydrophobicContact CG-CD1 4.03Å; M224-Y296 HydrophobicContact CG-CE1 3.95Å; M224-Y296 PolarHBondContact N-OH 3.5Å
225	W	98.8	Very high	98.3	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.011	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	113	171.3	-80.6	-19.4	0	0	0	110.9	V112 I113 N116 L120 I191 L192 V193 S194 F331 E332 L334	V112-W225 HydrophobicContact CG1-CD2 3.65Å; V112-W225 HydrophobicContact CG1-CE3 3.73Å; V112-W225 HydrophobicContact CG1-CG 4.23Å; V112-W225 HydrophobicContact CG1-CH2 4.1Å; V112-W225 HydrophobicContact CG1-CZ2 4.01Å; V112-W225 HydrophobicContact CG1-CZ3 3.95Å; I113-W225 HydrophobicContact CD1-CE3 4.48Å; I113-W225 HydrophobicContact CD1-CZ3 4.02Å; N116-W225 HydrophobicContact CB-CH2 3.66Å; N116-W225 HydrophobicContact CB-CZ2 4.03Å; L120-W225 HydrophobicContact CD1-CH2 4.34Å; L120-W225 HydrophobicContact CD1-CZ3 4.31Å; L120-W225 HydrophobicContact CD2-CH2 4.12Å; L120-W225 HydrophobicContact CD2-CZ3 4.04Å; L120-W225 HydrophobicContact CG-CH2 4.35Å; I191-W225 HydrophobicContact CG2-CD2 4.17Å; I191-W225 HydrophobicContact CG2-CE3 3.59Å; I191-W225 HydrophobicContact CG2-CZ3 3.85Å; L192-W225 PolarHBondContact O-N 2.82Å; V193-W225 CarbonylContact C-O 3.58Å; V193-W225 VanDerWaalsContact CA-O 3.3Å; V193-W225 WeakPolarHBondContact CA-O 3.5Å; V193-W225 HydrophobicContact CB-CB 4.01Å; V193-W225 HydrophobicContact CB-CE3 4.42Å; V193-W225 HydrophobicContact CG2-CB 3.86Å; S194-W225 PolarHBondContact N-O 3.32Å; W225-F331 HydrophobicContact CB-CD1 3.78Å; W225-F331 HydrophobicContact CB-CE1 4.28Å; W225-F331 AromaticContact CD1-CD1 3.98Å; W225-F331 AromaticContact CG-CD1 3.93Å; W225-F331 HydrophobicContact CG-CD1 3.93Å; W225-E332 PolarHBondContact NE1-O 2.76Å; W225-L334 HydrophobicContact CH2-CD1 3.89Å; W225-L334 HydrophobicContact CH2-CD2 4.06Å; W225-L334 HydrophobicContact CH2-CG 3.87Å; W225-L334 HydrophobicContact CZ2-CD1 4.24Å; W225-L334 HydrophobicContact CZ2-CD2 3.66Å; W225-L334 HydrophobicContact CZ2-CG 3.69Å
226	P	98.8	Very high	98.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.153	C	C	.	.	S	Bend	cis	-66.3	151.6	-2.5	28.5	-35.7	0	0	0	113.8	S194 W196 M197 M224 M295 V329 L330 F331	S194-P226 VanDerWaalsContact O-CD 3.31Å; S194-P226 WeakPolarHBondContact O-CD 3.45Å; W196-P226 HydrophobicContact CZ2-CG 4.28Å; M197-P226 HydrophobicContact SD-CG 4.16Å; M224-P226 CarbonylContact C-O 3.5Å; M224-P226 CarbonylContact O-C 3.47Å; P226-M295 WeakPolarHBondContact O-CG 3.4Å; P226-V329 HydrophobicContact CB-CB 3.68Å; P226-V329 HydrophobicContact CB-CG1 4.36Å; P226-V329 HydrophobicContact CB-CG2 4.11Å; P226-V329 HydrophobicContact CG-CB 4.07Å; P226-V329 HydrophobicContact CG-CG1 4.24Å; P226-V329 HydrophobicContact CG-CG2 4.42Å; P226-L330 CarbonylContact C-O 3.5Å; P226-L330 WeakPolarHBondContact CA-O 3.01Å; P226-L330 VanDerWaalsContact CB-O 3.31Å; P226-L330 WeakPolarHBondContact CB-O 3.33Å; P226-F331 HydrophobicContact CB-CD1 4.17Å; P226-F331 HydrophobicContact CB-CE1 3.85Å; P226-F331 HydrophobicContact CB-CZ 4.14Å; P226-F331 HydrophobicContact CG-CE1 4.5Å
227	S	98.6	Very high	98.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	14%	0.144	C	C	.	.	S	Bend	trans	-85.4	-29.3	179.4	50.8	0	0	0	0	112.5	M224 M295 L330 E332	M224-S227 VanDerWaalsContact O-CA 3.28Å; M224-S227 WeakPolarHBondContact O-CA 3.21Å; M224-S227 WeakPolarHBondContact O-CB 3.48Å; M224-S227 PolarHBondContact O-N 3.46Å; S227-M295 WeakPolarHBondContact O-CB 3.24Å; S227-M295 PolarHBondContact O-N 2.89Å; S227-M295 VanDerWaalsContact O-N 3.08Å; S227-L330 PolarHBondContact N-O 2.87Å; S227-L330 PolarHBondContact OG-O 3.23Å; S227-E332 WeakPolarHBondContact OG-CG 3.27Å; S227-E332 PolarHBondContact OG-N 2.95Å
228	S	98.7	Very high	98.4	Very high	31 Å²	31	23.1 Å²	23.1	22%	0.217	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.4	172.4	63	0	0	0	0	111.4	L293 V329 L330	S228-L293 CarbonylContact C-O 3.47Å; S228-L293 WeakPolarHBondContact CA-O 3.3Å; S228-L293 VanDerWaalsContact CB-O 3.31Å; S228-L293 WeakPolarHBondContact CB-O 3.37Å; S228-V329 WeakPolarHBondContact O-CA 3.26Å; S228-L330 PolarHBondContact O-N 3.21Å; S228-L330 WeakPolarHBondContact OG-CB 3.45Å
229	A	98.9	Very high	98.3	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.033	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.9	175.6	0	0	0	0	0	110.7	W196 L201 C292 L293 T328 V329	W196-A229 HydrophobicContact CH2-CB 4.27Å; W196-A229 HydrophobicContact CZ2-CB 4.37Å; L201-A229 HydrophobicContact CD1-CB 3.86Å; L201-A229 HydrophobicContact CD2-CB 3.75Å; L201-A229 HydrophobicContact CG-CB 4.41Å; A229-C292 CarbonylContact O-C 3.59Å; A229-C292 WeakPolarHBondContact O-CA 3.27Å; A229-L293 HydrophobicContact CB-CB 4.29Å; A229-L293 HydrophobicContact CB-CD1 4.39Å; A229-L293 PolarHBondContact N-O 3.24Å; A229-L293 PolarHBondContact O-N 2.92Å; A229-T328 CarbonylContact C-O 3.59Å; A229-T328 WeakPolarHBondContact CA-O 3.21Å; A229-V329 HydrophobicContact CB-CG1 3.73Å
230	A	98.9	Very high	98.2	Very high	12 Å²	12	24.9 Å²	24.9	10%	0.099	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.2	174.2	0	0	0	0	0	110.4	D289 I291 F327 T328	A230-D289 HydrophobicContact CB-CB 4.34Å; A230-I291 CarbonylContact C-O 3.49Å; A230-I291 VanDerWaalsContact CA-O 3.25Å; A230-I291 WeakPolarHBondContact CA-O 3.29Å; A230-F327 CarbonylContact O-C 3.58Å; A230-F327 WeakPolarHBondContact O-CA 3.44Å; A230-F327 WeakPolarHBondContact O-CB 3.45Å; A230-T328 PolarHBondContact N-O 3.17Å; A230-T328 PolarHBondContact O-N 2.64Å
231	L	98.9	Very high	98.2	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.6	166.8	-174.7	73.2	0	0	0	107.8	C200 L201 D289 V290 I291 A325 W326 I377 L379	C200-L231 HydrophobicContact CB-CD1 4.15Å; L201-L231 HydrophobicContact CB-CD1 4.38Å; L231-D289 WeakPolarHBondContact O-CA 3.4Å; L231-V290 HydrophobicContact CB-CG2 4.37Å; L231-V290 HydrophobicContact CD2-CG2 4.19Å; L231-V290 HydrophobicContact CG-CG2 4.22Å; L231-V290 VanDerWaalsContact O-CG2 3.23Å; L231-V290 WeakPolarHBondContact O-CG2 3.22Å; L231-V290 PolarHBondContact O-N 3Å; L231-I291 HydrophobicContact CB-CB 4.01Å; L231-I291 HydrophobicContact CD2-CG1 4.3Å; L231-I291 PolarHBondContact N-O 3Å; L231-I291 PolarHBondContact O-N 2.79Å; L231-A325 HydrophobicContact CD1-CB 4.29Å; L231-W326 WeakPolarHBondContact CD1-O 3.4Å; L231-I377 HydrophobicContact CD2-CD1 4.26Å; L231-L379 HydrophobicContact CD2-CD1 4.21Å; L231-L379 HydrophobicContact CD2-CD2 4.06Å
232	A	98.8	Very high	98.4	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.017	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	151.2	175	0	0	0	0	0	110.7	C288 A325 W326	A232-C288 CarbonylContact C-O 3.48Å; A232-C288 WeakPolarHBondContact CA-O 3.48Å; A232-A325 WeakPolarHBondContact O-CA 3.4Å; A232-A325 WeakPolarHBondContact O-CB 3.48Å; A232-W326 HydrophobicContact CB-CD2 4.22Å; A232-W326 HydrophobicContact CB-CG 4.45Å; A232-W326 HydrophobicContact CB-CZ2 4.14Å; A232-W326 PolarHBondContact N-O 3.24Å; A232-W326 PolarHBondContact O-N 3.26Å
233	L	98.9	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.9	177.7	-165.6	72	0	0	0	109.8	P287 C288 V290 F310 F312 F323 T324 A325 I377 L393	L233-P287 WeakPolarHBondContact O-CA 3.43Å; L233-C288 PolarHBondContact N-O 3.44Å; L233-C288 PolarHBondContact O-N 2.85Å; L233-V290 HydrophobicContact CB-CG1 3.81Å; L233-V290 HydrophobicContact CB-CG2 4.01Å; L233-V290 HydrophobicContact CD2-CG1 4.34Å; L233-F310 HydrophobicContact CD2-CD1 3.79Å; L233-F310 HydrophobicContact CD2-CE1 3.95Å; L233-F310 HydrophobicContact CD2-CG 4.41Å; L233-F312 HydrophobicContact CB-CZ 4.29Å; L233-F312 HydrophobicContact CD2-CE2 4.49Å; L233-F312 HydrophobicContact CG-CZ 4.5Å; L233-F312 WeakPolarHBondContact O-CE1 3.4Å; L233-F312 VanDerWaalsContact O-CZ 3.26Å; L233-F312 WeakPolarHBondContact O-CZ 3.45Å; L233-F323 HydrophobicContact CD1-CB 3.72Å; L233-F323 HydrophobicContact CD1-CG 4.41Å; L233-F323 HydrophobicContact CD2-CB 4.46Å; L233-F323 HydrophobicContact CD2-CD1 3.85Å; L233-F323 HydrophobicContact CD2-CE1 4.34Å; L233-F323 HydrophobicContact CD2-CG 4.29Å; L233-F323 HydrophobicContact CG-CB 4.11Å; L233-F323 HydrophobicContact CG-CD1 3.99Å; L233-F323 HydrophobicContact CG-CG 4.37Å; L233-T324 WeakPolarHBondContact CA-O 3.44Å; L233-A325 HydrophobicContact CD1-CB 3.83Å; L233-I377 HydrophobicContact CD1-CD1 4.5Å; L233-L393 HydrophobicContact CD2-CD2 3.87Å
234	V	98.9	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	140.1	171.8	76.4	0	0	0	0	110.8	I278 C283 C285 P287 F323 T324 W326	V234-I278 HydrophobicContact CG1-CD1 4.27Å; V234-C283 HydrophobicContact CG2-CB 4.09Å; V234-C285 VanDerWaalsContact CG2-O 3.24Å; V234-C285 WeakPolarHBondContact CG2-O 3.15Å; V234-P287 HydrophobicContact CB-CB 4.12Å; V234-P287 HydrophobicContact CG2-CB 4.37Å; V234-F323 CarbonylContact O-C 3.6Å; V234-F323 VanDerWaalsContact O-CA 3.27Å; V234-F323 WeakPolarHBondContact O-CA 3.48Å; V234-T324 PolarHBondContact N-O 3.35Å; V234-T324 PolarHBondContact O-N 2.86Å; V234-W326 HydrophobicContact CB-CH2 3.97Å; V234-W326 HydrophobicContact CB-CZ3 4.13Å; V234-W326 HydrophobicContact CG1-CH2 3.74Å; V234-W326 HydrophobicContact CG1-CZ3 3.5Å
235	P	98.8	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.7	165.3	29.9	-33.6	0	0	0	109.7	L284 C285 F312 F320 F323 I373	P235-L284 HydrophobicContact CB-CD1 4.29Å; P235-L284 HydrophobicContact CG-CB 4.32Å; P235-L284 WeakPolarHBondContact O-CB 3.37Å; P235-L284 PolarHBondContact O-N 3.48Å; P235-C285 VanDerWaalsContact CG-SG 3.57Å; P235-F312 HydrophobicContact CG-CB 4.05Å; P235-F312 HydrophobicContact CG-CD1 4.3Å; P235-F312 HydrophobicContact CG-CD2 3.99Å; P235-F312 HydrophobicContact CG-CG 3.85Å; P235-F320 HydrophobicContact CB-CD2 3.78Å; P235-F320 HydrophobicContact CB-CE2 3.51Å; P235-F320 HydrophobicContact CB-CZ 4.34Å; P235-F323 HydrophobicContact CB-CD1 4.32Å; P235-F323 HydrophobicContact CB-CE1 4.33Å; P235-I373 HydrophobicContact CB-CD1 3.95Å; P235-I373 HydrophobicContact CG-CD1 4.25Å
236	C	98.8	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	160.9	-172.4	70.7	0	0	0	0	114.3	I278 D282 H321 G322 T324	C236-I278 HydrophobicContact CB-CD1 3.52Å; C236-D282 CarbonylContact C-O 3.57Å; C236-D282 VanDerWaalsContact CA-O 3.26Å; C236-D282 WeakPolarHBondContact CA-O 3.15Å; C236-H321 PolarHBondContact O-N 2.98Å; C236-G322 PolarHBondContact N-O 3.24Å; C236-G322 PolarHBondContact O-N 3.04Å; C236-G322 PolarHBondContact SG-O 3.24Å; C236-T324 PolarHBondContact SG-OG1 2.82Å
237	Q	98.8	Very high	97.9	Very high	35 Å²	35	27.4 Å²	27.4	16%	0.164	16%	0.155	C	C	.	.			trans	-80.6	150.9	159.2	-62.9	-170.7	-135.2	0	0	109.8	D239 D282 L284 I319	Q237-D239 PolarHBondContact NE2-OD2 2.74Å; Q237-D282 HydrophobicContact CB-CB 4.11Å; Q237-D282 PolarHBondContact N-O 3.34Å; Q237-L284 HydrophobicContact CG-CD2 3.91Å; Q237-L284 HydrophobicContact CG-CG 4.36Å; Q237-I319 WeakPolarHBondContact CG-O 3.49Å
238	A	98.4	Very high	97.9	Very high	5 Å²	5	32 Å²	32	4%	0.041	18%	0.175	C	C	.	.			trans	-149	39.3	176.9	0	0	0	0	0	110.5	S240 Y241 Y242 H321 L358 M360	A238-S240 VanDerWaalsContact C-N 3.29Å; A238-S240 PolarHBondContact O-N 2.96Å; A238-Y241 PolarHBondContact O-N 3.3Å; A238-Y241 VanDerWaalsContact O-N 3.11Å; A238-Y242 PolarHBondContact O-N 3.42Å; A238-H321 HydrophobicContact CB-CB 3.82Å; A238-H321 PolarHBondContact N-ND1 2.86Å; A238-H321 VanDerWaalsContact N-ND1 3.18Å; A238-L358 HydrophobicContact CB-CD1 4.23Å; A238-L358 HydrophobicContact CB-CD2 3.94Å; A238-M360 HydrophobicContact CB-CE 4.5Å; A238-M360 HydrophobicContact CB-SD 3.86Å
239	D	97.4	Very high	97.9	Very high	65 Å²	65	33.4 Å²	33.4	35%	0.348	18%	0.175	S	C	.	.	H	α-helix	trans	-53.8	-42.4	-169.9	-71.3	-83.7	0	0	0	113	Q237 T243 H321	Q237-D239 PolarHBondContact NE2-OD2 2.74Å; D239-T243 VanDerWaalsContact O-CB 3.25Å; D239-T243 WeakPolarHBondContact O-CB 3.26Å; D239-T243 PolarHBondContact O-N 2.98Å; D239-T243 PolarHBondContact O-OG1 2.86Å; D239-H321 IonicContact OD1-CE1 3.72Å; D239-H321 PolarHBondContact OD1-CE1 2.82Å; D239-H321 VanDerWaalsContact OD1-CE1 3.27Å; D239-H321 IonicContact OD1-NE2 2.7Å; D239-H321 IonicContact OD2-CE1 3.92Å
240	S	95.9	Very high	97.8	Very high	81 Å²	81	37.7 Å²	37.7	57%	0.566	20%	0.195	S	C	*	.	H	α-helix	trans	-60.6	-50.4	178.5	-178.3	0	0	0	0	111.6	A238 Y242 T243 E244	A238-S240 VanDerWaalsContact C-N 3.29Å; A238-S240 PolarHBondContact O-N 2.96Å; S240-Y242 PolarHBondContact O-N 3.35Å; S240-T243 PolarHBondContact O-N 3.06Å; S240-E244 WeakPolarHBondContact O-CG 3.49Å; S240-E244 PolarHBondContact O-N 2.86Å
241	Y	97.5	Very high	97.7	Very high	31 Å²	31	44.2 Å²	44.2	12%	0.122	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-40.9	-178.9	-174.9	-123	0	0	0	112.1	A238 T243 E244 T245 F268 F269 K273 L358 M360	A238-Y241 PolarHBondContact O-N 3.3Å; A238-Y241 VanDerWaalsContact O-N 3.11Å; Y241-T243 VanDerWaalsContact C-N 3.31Å; Y241-T243 PolarHBondContact O-N 2.76Å; Y241-E244 PolarHBondContact O-N 2.96Å; Y241-T245 HydrophobicContact CD2-CG2 3.83Å; Y241-T245 HydrophobicContact CE2-CG2 3.4Å; Y241-T245 VanDerWaalsContact CE2-CG2 3.4Å; Y241-T245 WeakPolarHBondContact O-CB 3.41Å; Y241-T245 PolarHBondContact O-N 2.89Å; Y241-T245 PolarHBondContact O-OG1 2.86Å; Y241-F268 PolarHBondContact OH-O 2.91Å; Y241-F269 HydrophobicContact CD1-CE1 4.42Å; Y241-F269 HydrophobicContact CE1-CD1 4.3Å; Y241-F269 HydrophobicContact CE1-CE1 4.01Å; Y241-K273 HydrophobicContact CD1-CD 4.03Å; Y241-K273 HydrophobicContact CD2-CD 3.88Å; Y241-K273 HydrophobicContact CE1-CB 4.37Å; Y241-K273 HydrophobicContact CE1-CD 3.91Å; Y241-K273 HydrophobicContact CE2-CD 3.73Å; Y241-K273 HydrophobicContact CG-CD 4.01Å; Y241-L358 HydrophobicContact CD1-CD2 3.78Å; Y241-L358 HydrophobicContact CE1-CD2 4.42Å; Y241-L358 HydrophobicContact CG-CD2 4.45Å; Y241-M360 HydrophobicContact CD1-CE 4.4Å; Y241-M360 HydrophobicContact CD1-CG 3.99Å; Y241-M360 HydrophobicContact CD1-SD 4.04Å; Y241-M360 HydrophobicContact CE1-CG 3.9Å
242	Y	98.1	Very high	97.7	Very high	52 Å²	52	44.5 Å²	44.5	20%	0.204	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-40.1	174.4	-174.2	-91.2	0	0	0	111.6	A238 S240 M246 A247 F269 H321 M360 P364	A238-Y242 PolarHBondContact O-N 3.42Å; S240-Y242 PolarHBondContact O-N 3.35Å; Y242-M246 HydrophobicContact CD1-CB 4.35Å; Y242-M246 HydrophobicContact CD2-CB 3.97Å; Y242-M246 HydrophobicContact CD2-CG 4.34Å; Y242-M246 HydrophobicContact CE1-CB 4.17Å; Y242-M246 HydrophobicContact CE1-CG 4.18Å; Y242-M246 HydrophobicContact CE2-CB 3.79Å; Y242-M246 HydrophobicContact CE2-CG 3.64Å; Y242-M246 HydrophobicContact CG-CB 4.26Å; Y242-M246 WeakPolarHBondContact O-CA 3.23Å; Y242-M246 VanDerWaalsContact O-CB 3.26Å; Y242-M246 WeakPolarHBondContact O-CB 3.46Å; Y242-M246 PolarHBondContact O-N 2.76Å; Y242-A247 HydrophobicContact CD1-CB 4.4Å; Y242-A247 HydrophobicContact CE1-CB 4.32Å; Y242-A247 PolarHBondContact O-N 2.84Å; Y242-F269 HydrophobicContact CD2-CE2 4.05Å; Y242-F269 AromaticContact CD2-CZ 3.83Å; Y242-F269 HydrophobicContact CD2-CZ 3.83Å; Y242-F269 HydrophobicContact CE2-CE2 4.1Å; Y242-F269 HydrophobicContact CE2-CZ 4.29Å; Y242-H321 AromaticContact CD2-CD2 3.93Å; Y242-H321 AromaticContact CG-CD2 3.82Å; Y242-H321 AromaticContact CG-NE2 3.85Å; Y242-M360 HydrophobicContact CD2-CE 3.93Å; Y242-P364 HydrophobicContact CD2-CG 3.86Å; Y242-P364 HydrophobicContact CE1-CG 4.39Å; Y242-P364 HydrophobicContact CE2-CG 3.39Å
243	T	97.1	Very high	97.6	Very high	79 Å²	79	55.1 Å²	55.1	49%	0.485	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-47.5	177.6	-61.8	0	0	0	0	111.4	D239 S240 Y241 T245 F248	D239-T243 VanDerWaalsContact O-CB 3.25Å; D239-T243 WeakPolarHBondContact O-CB 3.26Å; D239-T243 PolarHBondContact O-N 2.98Å; D239-T243 PolarHBondContact O-OG1 2.86Å; S240-T243 PolarHBondContact O-N 3.06Å; Y241-T243 VanDerWaalsContact C-N 3.31Å; Y241-T243 PolarHBondContact O-N 2.76Å; T243-T245 PolarHBondContact O-N 3.07Å; T243-F248 WeakPolarHBondContact O-CB 3.33Å; T243-F248 PolarHBondContact O-N 2.77Å
244	E	96	Very high	97.5	Very high	126 Å²	126	57.8 Å²	57.8	59%	0.589	29%	0.287	S	S	*	.	H	α-helix	trans	-66.3	-35.1	-178.2	-71.6	173.5	172.8	0	0	113.3	S240 Y241	S240-E244 WeakPolarHBondContact O-CG 3.49Å; S240-E244 PolarHBondContact O-N 2.86Å; Y241-E244 PolarHBondContact O-N 2.96Å
245	T	96.3	Very high	97.5	Very high	14 Å²	14	62.6 Å²	62.6	9%	0.086	31%	0.312	C	S	.	.	H	α-helix	trans	-105.8	-22.7	-170.9	57.7	0	0	0	0	114.7	Y241 T243 W249 F268 F269	Y241-T245 HydrophobicContact CD2-CG2 3.83Å; Y241-T245 HydrophobicContact CE2-CG2 3.4Å; Y241-T245 VanDerWaalsContact CE2-CG2 3.4Å; Y241-T245 WeakPolarHBondContact O-CB 3.41Å; Y241-T245 PolarHBondContact O-N 2.89Å; Y241-T245 PolarHBondContact O-OG1 2.86Å; T243-T245 PolarHBondContact O-N 3.07Å; T245-W249 PolarHBondContact O-NE1 2.96Å; T245-F268 HydrophobicContact CG2-CB 4.35Å; T245-F268 HydrophobicContact CG2-CD1 4.42Å; T245-F268 HydrophobicContact CG2-CD2 4.3Å; T245-F268 HydrophobicContact CG2-CG 4.09Å; T245-F269 WeakPolarHBondContact OG1-CE1 3.33Å
246	M	96.7	Very high	97.5	Very high	9 Å²	9	66.1 Å²	66.1	4%	0.044	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-58.7	-175	-169.5	57.1	66.1	0	0	113	Y242 F248 W249 Q261 A264 Q265 F269	Y242-M246 HydrophobicContact CD1-CB 4.35Å; Y242-M246 HydrophobicContact CD2-CB 3.97Å; Y242-M246 HydrophobicContact CD2-CG 4.34Å; Y242-M246 HydrophobicContact CE1-CB 4.17Å; Y242-M246 HydrophobicContact CE1-CG 4.18Å; Y242-M246 HydrophobicContact CE2-CB 3.79Å; Y242-M246 HydrophobicContact CE2-CG 3.64Å; Y242-M246 HydrophobicContact CG-CB 4.26Å; Y242-M246 WeakPolarHBondContact O-CA 3.23Å; Y242-M246 VanDerWaalsContact O-CB 3.26Å; Y242-M246 WeakPolarHBondContact O-CB 3.46Å; Y242-M246 PolarHBondContact O-N 2.76Å; M246-F248 PolarHBondContact O-N 2.89Å; M246-W249 PolarHBondContact O-N 3.45Å; M246-Q261 PolarHBondContact O-NE2 2.76Å; M246-Q261 HydrophobicContact SD-CB 3.82Å; M246-Q261 HydrophobicContact SD-CG 3.85Å; M246-A264 HydrophobicContact CE-CB 4.34Å; M246-Q265 HydrophobicContact CE-CB 3.68Å; M246-Q265 HydrophobicContact CE-CG 4.41Å; M246-F269 HydrophobicContact CB-CE2 4.31Å; M246-F269 HydrophobicContact CB-CZ 3.98Å; M246-F269 HydrophobicContact CE-CD2 3.97Å; M246-F269 HydrophobicContact CE-CE2 3.46Å; M246-F269 VanDerWaalsContact CE-CE2 3.46Å; M246-F269 HydrophobicContact CE-CZ 3.98Å; M246-F269 HydrophobicContact CG-CE2 4.45Å
247	A	96.6	Very high	97.4	Very high	25 Å²	25	70 Å²	70	21%	0.207	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-67.3	-25.7	-176.1	0	0	0	0	0	112.3	Y242 W249 E250	Y242-A247 HydrophobicContact CD1-CB 4.4Å; Y242-A247 HydrophobicContact CE1-CB 4.32Å; Y242-A247 PolarHBondContact O-N 2.84Å; A247-W249 PolarHBondContact O-N 3.48Å; A247-W249 VanDerWaalsContact O-N 3.11Å; A247-E250 WeakPolarHBondContact O-CB 3.46Å; A247-E250 WeakPolarHBondContact O-CG 3.47Å; A247-E250 PolarHBondContact O-N 3.19Å
248	F	97.4	Very high	97.4	Very high	99 Å²	99	70.8 Å²	70.8	43%	0.434	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-48.2	-38.9	173.7	175.5	-97.9	0	0	0	112.8	T243 M246 E250 P252	T243-F248 WeakPolarHBondContact O-CB 3.33Å; T243-F248 PolarHBondContact O-N 2.77Å; M246-F248 PolarHBondContact O-N 2.89Å; F248-E250 VanDerWaalsContact C-N 3.25Å; F248-E250 PolarHBondContact O-N 3.47Å; F248-P252 HydrophobicContact CE1-CB 4.04Å; F248-P252 HydrophobicContact CE2-CB 4.31Å; F248-P252 HydrophobicContact CZ-CB 3.86Å; F248-P252 VanDerWaalsContact O-CD 3.25Å; F248-P252 WeakPolarHBondContact O-CD 3.45Å
249	W	98.1	Very high	97.4	Very high	59 Å²	59	75.5 Å²	75.5	22%	0.223	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-74.7	-8.1	-175.9	-56.2	110.6	0	0	0	114.1	T245 M246 A247 F257 T258 L260 Q261	T245-W249 PolarHBondContact O-NE1 2.96Å; M246-W249 PolarHBondContact O-N 3.45Å; A247-W249 PolarHBondContact O-N 3.48Å; A247-W249 VanDerWaalsContact O-N 3.11Å; W249-F257 HydrophobicContact CB-CB 4.5Å; W249-F257 HydrophobicContact CE3-CB 4.25Å; W249-F257 HydrophobicContact CE3-CD2 4.07Å; W249-F257 HydrophobicContact CZ3-CD2 4.18Å; W249-F257 CarbonylContact O-C 2.93Å; W249-F257 WeakPolarHBondContact O-CA 3.48Å; W249-F257 WeakPolarHBondContact O-CB 3.32Å; W249-F257 PolarHBondContact O-N 3.4Å; W249-T258 PolarHBondContact O-N 3.02Å; W249-L260 HydrophobicContact CD2-CB 4.38Å; W249-L260 HydrophobicContact CE3-CB 4.32Å; W249-L260 HydrophobicContact CE3-CD1 3.81Å; W249-L260 HydrophobicContact CZ3-CD1 3.78Å; W249-Q261 HydrophobicContact CB-CG 3.86Å
250	E	97.4	Very high	97.4	Very high	95 Å²	95	75.8 Å²	75.8	44%	0.444	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-66.9	-48.1	-179.8	-67	-179	-178.3	0	0	112.5	A247 F248 T258	A247-E250 WeakPolarHBondContact O-CB 3.46Å; A247-E250 WeakPolarHBondContact O-CG 3.47Å; A247-E250 PolarHBondContact O-N 3.19Å; F248-E250 VanDerWaalsContact C-N 3.25Å; F248-E250 PolarHBondContact O-N 3.47Å; E250-T258 HydrophobicContact CB-CG2 4.44Å; E250-T258 HydrophobicContact CG-CG2 4.41Å
251	R	97.7	Very high	97.5	Very high	149 Å²	149	74.2 Å²	74.2	56%	0.562	37%	0.37	S	S	*	.			trans	-146.5	48.5	-174.6	-66	-65.4	173.2	-162.3	-18	114	Y253 G254 L255 D256	R251-Y253 PolarHBondContact O-N 3.31Å; R251-Y253 VanDerWaalsContact O-N 3.09Å; R251-G254 PolarHBondContact O-N 2.84Å; R251-L255 CarbonylContact C-O 3.56Å; R251-L255 VanDerWaalsContact CA-O 3.26Å; R251-L255 WeakPolarHBondContact CA-O 3.46Å; R251-D256 IonicContact CZ-OD2 3.37Å; R251-D256 VanDerWaalsContact NH1-CB 3.33Å; R251-D256 IonicContact NH1-OD2 3.39Å; R251-D256 PolarHBondContact NH1-OD2 3.19Å; R251-D256 IonicContact NH2-OD2 2.8Å; R251-D256 PolarHBondContact NH2-OD2 3.25Å
252	P	97.2	Very high	97.5	Very high	9 Å²	9	76.7 Å²	76.7	6%	0.058	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-61.4	120.7	177	27.9	-33.5	0	0	0	109.5	F248 G254 L255 F257	F248-P252 HydrophobicContact CE1-CB 4.04Å; F248-P252 HydrophobicContact CE2-CB 4.31Å; F248-P252 HydrophobicContact CZ-CB 3.86Å; F248-P252 VanDerWaalsContact O-CD 3.25Å; F248-P252 WeakPolarHBondContact O-CD 3.45Å; P252-G254 PolarHBondContact O-N 3.27Å; P252-G254 VanDerWaalsContact O-N 3.09Å; P252-L255 VanDerWaalsContact CD-O 3.27Å; P252-L255 WeakPolarHBondContact CD-O 3.26Å; P252-L255 PolarHBondContact O-N 2.9Å; P252-F257 HydrophobicContact CG-CB 3.64Å; P252-F257 HydrophobicContact CG-CD1 4.01Å; P252-F257 HydrophobicContact CG-CD2 3.59Å; P252-F257 HydrophobicContact CG-CE2 4.21Å; P252-F257 HydrophobicContact CG-CG 3.47Å; P252-F257 VanDerWaalsContact CG-CG 3.47Å
253	Y	97.5	Very high	97.4	Very high	225 Å²	225	78.7 Å²	78.7	88%	0.882	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	54.1	27.3	-175.1	-49.7	-81.8	0	0	0	114.3	R251 L255	R251-Y253 PolarHBondContact O-N 3.31Å; R251-Y253 VanDerWaalsContact O-N 3.09Å; Y253-L255 VanDerWaalsContact C-N 3.32Å; Y253-L255 PolarHBondContact O-N 3.42Å
254	G	97.7	Very high	97.4	Very high	55 Å²	55	75.1 Å²	75.1	57%	0.567	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	81.4	1.7	-179.4	0	0	0	0	0	115.3	R251 P252	R251-G254 PolarHBondContact O-N 2.84Å; P252-G254 PolarHBondContact O-N 3.27Å; P252-G254 VanDerWaalsContact O-N 3.09Å
255	L	97.9	Very high	97.4	Very high	101 Å²	101	71.8 Å²	71.8	53%	0.529	37%	0.367	S	S	.	.			trans	-91	144.8	177.8	-58.6	177.2	0	0	0	110.8	R251 P252 Y253 F257	R251-L255 CarbonylContact C-O 3.56Å; R251-L255 VanDerWaalsContact CA-O 3.26Å; R251-L255 WeakPolarHBondContact CA-O 3.46Å; P252-L255 VanDerWaalsContact CD-O 3.27Å; P252-L255 WeakPolarHBondContact CD-O 3.26Å; P252-L255 PolarHBondContact O-N 2.9Å; Y253-L255 VanDerWaalsContact C-N 3.32Å; Y253-L255 PolarHBondContact O-N 3.42Å; L255-F257 HydrophobicContact CB-CD1 3.83Å; L255-F257 HydrophobicContact CB-CE1 3.57Å; L255-F257 HydrophobicContact CD1-CE1 3.89Å; L255-F257 HydrophobicContact CD1-CZ 4.31Å; L255-F257 HydrophobicContact CG-CE1 4.39Å; L255-F257 PolarHBondContact O-N 3.19Å
256	D	98.1	Very high	97.2	Very high	75 Å²	75	77.3 Å²	77.3	40%	0.401	39%	0.392	S	S	.	.			trans	-79.9	103.4	177.1	-155.6	-37	0	0	0	110.9	R251 T258	R251-D256 IonicContact CZ-OD2 3.37Å; R251-D256 VanDerWaalsContact NH1-CB 3.33Å; R251-D256 IonicContact NH1-OD2 3.39Å; R251-D256 PolarHBondContact NH1-OD2 3.19Å; R251-D256 IonicContact NH2-OD2 2.8Å; R251-D256 PolarHBondContact NH2-OD2 3.25Å; D256-T258 WeakPolarHBondContact OD1-CB 3.23Å; D256-T258 VanDerWaalsContact OD1-CG2 3.29Å; D256-T258 WeakPolarHBondContact OD1-CG2 3.29Å; D256-T258 PolarHBondContact OD1-N 2.67Å; D256-T258 PolarHBondContact OD1-OG1 2.83Å
257	F	98.5	Very high	97.1	Very high	82 Å²	82	82.9 Å²	82.9	36%	0.36	42%	0.418	S	S	.	.			trans	-108.1	13.1	178.1	-80.9	31.7	0	0	0	111.5	W249 P252 L255 P259 L260	W249-F257 HydrophobicContact CB-CB 4.5Å; W249-F257 HydrophobicContact CE3-CB 4.25Å; W249-F257 HydrophobicContact CE3-CD2 4.07Å; W249-F257 HydrophobicContact CZ3-CD2 4.18Å; W249-F257 CarbonylContact O-C 2.93Å; W249-F257 WeakPolarHBondContact O-CA 3.48Å; W249-F257 WeakPolarHBondContact O-CB 3.32Å; W249-F257 PolarHBondContact O-N 3.4Å; P252-F257 HydrophobicContact CG-CB 3.64Å; P252-F257 HydrophobicContact CG-CD1 4.01Å; P252-F257 HydrophobicContact CG-CD2 3.59Å; P252-F257 HydrophobicContact CG-CE2 4.21Å; P252-F257 HydrophobicContact CG-CG 3.47Å; P252-F257 VanDerWaalsContact CG-CG 3.47Å; L255-F257 HydrophobicContact CB-CD1 3.83Å; L255-F257 HydrophobicContact CB-CE1 3.57Å; L255-F257 HydrophobicContact CD1-CE1 3.89Å; L255-F257 HydrophobicContact CD1-CZ 4.31Å; L255-F257 HydrophobicContact CG-CE1 4.39Å; L255-F257 PolarHBondContact O-N 3.19Å; F257-P259 WeakPolarHBondContact O-CD 3.39Å; F257-P259 VanDerWaalsContact O-N 3.08Å; F257-L260 HydrophobicContact CB-CD1 4.45Å; F257-L260 HydrophobicContact CD2-CD1 3.95Å; F257-L260 HydrophobicContact CG-CD1 4.5Å; F257-L260 WeakPolarHBondContact O-CB 3.44Å; F257-L260 PolarHBondContact O-N 2.82Å
258	T	98.1	Very high	97	Very high	51 Å²	51	84.7 Å²	84.7	31%	0.313	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-53.3	-28.2	178.9	57.3	0	0	0	0	114.7	W249 E250 D256 L260 Q261	W249-T258 PolarHBondContact O-N 3.02Å; E250-T258 HydrophobicContact CB-CG2 4.44Å; E250-T258 HydrophobicContact CG-CG2 4.41Å; D256-T258 WeakPolarHBondContact OD1-CB 3.23Å; D256-T258 VanDerWaalsContact OD1-CG2 3.29Å; D256-T258 WeakPolarHBondContact OD1-CG2 3.29Å; D256-T258 PolarHBondContact OD1-N 2.67Å; D256-T258 PolarHBondContact OD1-OG1 2.83Å; T258-L260 PolarHBondContact O-N 2.71Å; T258-Q261 WeakPolarHBondContact O-CB 3.32Å; T258-Q261 PolarHBondContact O-N 3.04Å
259	P	98.4	Very high	96.9	Very high	104 Å²	104	80 Å²	80	68%	0.675	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-59.7	-17	172.8	-26.6	37.5	0	0	0	115.2	F257 P262	F257-P259 WeakPolarHBondContact O-CD 3.39Å; F257-P259 VanDerWaalsContact O-N 3.08Å; P259-P262 WeakPolarHBondContact O-CD 3.28Å
260	L	97.9	Very high	96.6	Very high	70 Å²	70	80 Å²	80	37%	0.366	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-85.3	-11.5	175.5	-63.3	177.8	0	0	0	113.6	W249 F257 T258 L263 A264	W249-L260 HydrophobicContact CD2-CB 4.38Å; W249-L260 HydrophobicContact CE3-CB 4.32Å; W249-L260 HydrophobicContact CE3-CD1 3.81Å; W249-L260 HydrophobicContact CZ3-CD1 3.78Å; F257-L260 HydrophobicContact CB-CD1 4.45Å; F257-L260 HydrophobicContact CD2-CD1 3.95Å; F257-L260 HydrophobicContact CG-CD1 4.5Å; F257-L260 WeakPolarHBondContact O-CB 3.44Å; F257-L260 PolarHBondContact O-N 2.82Å; T258-L260 PolarHBondContact O-N 2.71Å; L260-L263 PolarHBondContact O-N 3.37Å; L260-L263 VanDerWaalsContact O-N 3.15Å; L260-A264 PolarHBondContact O-N 3.49Å
261	Q	97.1	Very high	96.5	Very high	48 Å²	48	79.6 Å²	79.6	22%	0.224	40%	0.404	C	S	.	.	H	α-helix	trans	-60.1	-38.2	-177.8	-73.3	-178.1	-31.3	0	0	114.4	M246 W249 T258 L263 A264 Q265	M246-Q261 PolarHBondContact O-NE2 2.76Å; M246-Q261 HydrophobicContact SD-CB 3.82Å; M246-Q261 HydrophobicContact SD-CG 3.85Å; W249-Q261 HydrophobicContact CB-CG 3.86Å; T258-Q261 WeakPolarHBondContact O-CB 3.32Å; T258-Q261 PolarHBondContact O-N 3.04Å; Q261-L263 VanDerWaalsContact C-N 3.33Å; Q261-L263 PolarHBondContact O-N 2.79Å; Q261-A264 PolarHBondContact O-N 3.03Å; Q261-Q265 WeakPolarHBondContact O-CB 3.32Å; Q261-Q265 PolarHBondContact O-N 2.93Å
262	P	97.1	Very high	96.4	Very high	84 Å²	84	73.1 Å²	73.1	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-61.1	-40.5	173.8	-24.7	35.5	0	0	0	113	P259 Q265 Q266	P259-P262 WeakPolarHBondContact O-CD 3.28Å; P262-Q265 PolarHBondContact O-N 2.86Å; P262-Q266 PolarHBondContact O-N 3.11Å; P262-Q266 VanDerWaalsContact O-N 3.13Å
263	L	96.5	Very high	96.5	Very high	94 Å²	94	75.4 Å²	75.4	49%	0.492	39%	0.39	S	S	.	.	H	α-helix	trans	-66.8	-45.1	175.7	178.3	62.2	0	0	0	111	L260 Q261 Q265 Q266 E267	L260-L263 PolarHBondContact O-N 3.37Å; L260-L263 VanDerWaalsContact O-N 3.15Å; Q261-L263 VanDerWaalsContact C-N 3.33Å; Q261-L263 PolarHBondContact O-N 2.79Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 2.91Å; L263-Q266 PolarHBondContact O-N 2.82Å; L263-Q266 VanDerWaalsContact O-N 3.16Å; L263-E267 WeakPolarHBondContact O-CB 3.05Å; L263-E267 PolarHBondContact O-N 3.47Å
264	A	96.4	Very high	96.4	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.033	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-38.8	176.7	0	0	0	0	0	112.2	M246 L260 Q261 E267 F268	M246-A264 HydrophobicContact CE-CB 4.34Å; L260-A264 PolarHBondContact O-N 3.49Å; Q261-A264 PolarHBondContact O-N 3.03Å; A264-E267 PolarHBondContact O-N 3.14Å; A264-F268 HydrophobicContact CB-CD2 4.05Å; A264-F268 HydrophobicContact CB-CE2 4.2Å; A264-F268 WeakPolarHBondContact O-CB 3.46Å; A264-F268 WeakPolarHBondContact O-CD2 3.33Å; A264-F268 PolarHBondContact O-N 2.94Å
265	Q	95.7	Very high	96.2	Very high	56 Å²	56	67 Å²	67	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-45.8	175.5	-176.6	178.3	67.8	0	0	111.1	M246 Q261 P262 L263 E267 F269 D362	M246-Q265 HydrophobicContact CE-CB 3.68Å; M246-Q265 HydrophobicContact CE-CG 4.41Å; Q261-Q265 WeakPolarHBondContact O-CB 3.32Å; Q261-Q265 PolarHBondContact O-N 2.93Å; P262-Q265 PolarHBondContact O-N 2.86Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 2.91Å; Q265-E267 VanDerWaalsContact C-N 3.33Å; Q265-E267 PolarHBondContact O-N 3.12Å; Q265-F269 HydrophobicContact CG-CD2 4.18Å; Q265-F269 WeakPolarHBondContact O-CB 3.48Å; Q265-F269 PolarHBondContact O-N 3.05Å; Q265-D362 PolarHBondContact NE2-O 2.79Å
266	Q	93.1	Very high	96.2	Very high	129 Å²	129	62.9 Å²	62.9	60%	0.603	33%	0.328	S	S	*	.	H	α-helix	trans	-63.1	-39.9	178	-172.4	179.4	8	0	0	111.7	P262 L263 T270	P262-Q266 PolarHBondContact O-N 3.11Å; P262-Q266 VanDerWaalsContact O-N 3.13Å; L263-Q266 PolarHBondContact O-N 2.82Å; L263-Q266 VanDerWaalsContact O-N 3.16Å; Q266-T270 HydrophobicContact CG-CG2 4.36Å; Q266-T270 WeakPolarHBondContact O-CB 3.4Å; Q266-T270 WeakPolarHBondContact O-CG2 3.34Å; Q266-T270 PolarHBondContact O-OG1 3.39Å
267	E	93.5	Very high	96.2	Very high	127 Å²	127	64.4 Å²	64.4	59%	0.593	34%	0.335	S	S	*	.	H	α-helix	trans	-76.9	-44.4	-176.6	-169.1	173.1	151.9	0	0	112.7	L263 A264 Q265	L263-E267 WeakPolarHBondContact O-CB 3.05Å; L263-E267 PolarHBondContact O-N 3.47Å; A264-E267 PolarHBondContact O-N 3.14Å; Q265-E267 VanDerWaalsContact C-N 3.33Å; Q265-E267 PolarHBondContact O-N 3.12Å
268	F	95	Very high	96.1	Very high	63 Å²	63	60.8 Å²	60.8	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-98.8	-24.3	-169.9	-58.7	-55.8	0	0	0	114.4	Y241 T245 A264	Y241-F268 PolarHBondContact OH-O 2.91Å; T245-F268 HydrophobicContact CG2-CB 4.35Å; T245-F268 HydrophobicContact CG2-CD1 4.42Å; T245-F268 HydrophobicContact CG2-CD2 4.3Å; T245-F268 HydrophobicContact CG2-CG 4.09Å; A264-F268 HydrophobicContact CB-CD2 4.05Å; A264-F268 HydrophobicContact CB-CE2 4.2Å; A264-F268 WeakPolarHBondContact O-CB 3.46Å; A264-F268 WeakPolarHBondContact O-CD2 3.33Å; A264-F268 PolarHBondContact O-N 2.94Å
269	F	95.8	Very high	96.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-110.3	-5.6	-173.2	-60.1	-14.2	0	0	0	114.4	Y241 Y242 T245 M246 Q265 M360 K409	Y241-F269 HydrophobicContact CD1-CE1 4.42Å; Y241-F269 HydrophobicContact CE1-CD1 4.3Å; Y241-F269 HydrophobicContact CE1-CE1 4.01Å; Y242-F269 HydrophobicContact CD2-CE2 4.05Å; Y242-F269 AromaticContact CD2-CZ 3.83Å; Y242-F269 HydrophobicContact CD2-CZ 3.83Å; Y242-F269 HydrophobicContact CE2-CE2 4.1Å; Y242-F269 HydrophobicContact CE2-CZ 4.29Å; T245-F269 WeakPolarHBondContact OG1-CE1 3.33Å; M246-F269 HydrophobicContact CB-CE2 4.31Å; M246-F269 HydrophobicContact CB-CZ 3.98Å; M246-F269 HydrophobicContact CE-CD2 3.97Å; M246-F269 HydrophobicContact CE-CE2 3.46Å; M246-F269 VanDerWaalsContact CE-CE2 3.46Å; M246-F269 HydrophobicContact CE-CZ 3.98Å; M246-F269 HydrophobicContact CG-CE2 4.45Å; Q265-F269 HydrophobicContact CG-CD2 4.18Å; Q265-F269 WeakPolarHBondContact O-CB 3.48Å; Q265-F269 PolarHBondContact O-N 3.05Å; F269-M360 HydrophobicContact CB-CB 3.99Å; F269-M360 HydrophobicContact CD1-CB 3.64Å; F269-M360 HydrophobicContact CD1-CE 4.39Å; F269-M360 HydrophobicContact CD1-CG 3.74Å; F269-M360 HydrophobicContact CD2-CB 4.27Å; F269-M360 HydrophobicContact CE1-CB 4.2Å; F269-M360 HydrophobicContact CE1-CE 3.77Å; F269-M360 HydrophobicContact CE1-CG 3.95Å; F269-M360 HydrophobicContact CE2-CE 4.18Å; F269-M360 HydrophobicContact CG-CB 3.72Å; F269-M360 HydrophobicContact CG-CG 4.34Å; F269-M360 HydrophobicContact CZ-CE 3.66Å; F269-K409 WeakPolarHBondContact O-CE 3.29Å; F269-K409 PolarHBondContact O-NZ 3.05Å
270	T	92.9	Very high	96	Very high	58 Å²	58	59.6 Å²	59.6	36%	0.356	31%	0.309	S	S	.	.	S	Bend	trans	-77.8	-33.6	179.4	55	0	0	0	0	112.8	Q266 P412	Q266-T270 HydrophobicContact CG-CG2 4.36Å; Q266-T270 WeakPolarHBondContact O-CB 3.4Å; Q266-T270 WeakPolarHBondContact O-CG2 3.34Å; Q266-T270 PolarHBondContact O-OG1 3.39Å; T270-P412 WeakPolarHBondContact O-CD 3.25Å
271	K	93.4	Very high	96	Very high	88 Å²	88	62.7 Å²	62.7	38%	0.383	32%	0.321	S	S	.	.	S	Bend	trans	-99.1	152.2	172.6	-66.8	-179	-177	-179.1	0	110.3	P412	K271-P412 HydrophobicContact CG-CG 4.35Å
272	P	97.4	Very high	96.1	Very high	13 Å²	13	62.3 Å²	62.3	8%	0.084	32%	0.321	C	S	.	.			trans	-69.8	147.5	172.5	20.5	-15.4	0	0	0	110.6	F274 T357 L358 F359 F411 P412 M413	P272-F274 HydrophobicContact CB-CE1 4.44Å; P272-F274 HydrophobicContact CG-CE1 3.99Å; P272-F274 PolarHBondContact O-N 3.1Å; P272-T357 HydrophobicContact CB-CG2 3.61Å; P272-T357 HydrophobicContact CG-CG2 4.41Å; P272-L358 CarbonylContact C-O 3.47Å; P272-L358 WeakPolarHBondContact CA-O 3.41Å; P272-F359 HydrophobicContact CB-CD1 3.77Å; P272-F359 HydrophobicContact CB-CE1 3.62Å; P272-F359 HydrophobicContact CB-CZ 4.3Å; P272-F359 HydrophobicContact CG-CD1 4.44Å; P272-F359 HydrophobicContact CG-CE1 3.98Å; P272-F411 HydrophobicContact CG-CB 4.28Å; P272-P412 WeakPolarHBondContact CD-O 3.26Å; P272-M413 HydrophobicContact CB-SD 4.28Å; P272-M413 HydrophobicContact CG-CG 4.48Å; P272-M413 HydrophobicContact CG-SD 3.26Å; P272-M413 WeakPolarHBondContact CG-SD 3.49Å
273	K	97.4	Very high	96.1	Very high	57 Å²	57	59 Å²	59	25%	0.248	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	106.1	171.8	177.7	-172.4	-174.6	174.5	0	109.1	Y241 H276 L358	Y241-K273 HydrophobicContact CD1-CD 4.03Å; Y241-K273 HydrophobicContact CD2-CD 3.88Å; Y241-K273 HydrophobicContact CE1-CB 4.37Å; Y241-K273 HydrophobicContact CE1-CD 3.91Å; Y241-K273 HydrophobicContact CE2-CD 3.73Å; Y241-K273 HydrophobicContact CG-CD 4.01Å; K273-H276 HydrophobicContact CD-CB 4.37Å; K273-L358 HydrophobicContact CB-CB 4.21Å; K273-L358 HydrophobicContact CD-CD2 4.25Å; K273-L358 PolarHBondContact N-O 2.9Å; K273-L358 PolarHBondContact O-N 3.26Å
274	F	96.2	Very high	96.2	Very high	45 Å²	45	54.6 Å²	54.6	20%	0.197	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	161.9	165.7	-61.1	-18.7	0	0	0	110.7	N199 F203 P272 H276 T357 M413 R415	N199-F274 HydrophobicContact CB-CD1 3.99Å; N199-F274 HydrophobicContact CB-CE1 3.82Å; N199-F274 HydrophobicContact CB-CE2 4.44Å; N199-F274 HydrophobicContact CB-CG 4.42Å; N199-F274 HydrophobicContact CB-CZ 4.06Å; F203-F274 HydrophobicContact CE1-CE2 4.45Å; P272-F274 HydrophobicContact CB-CE1 4.44Å; P272-F274 HydrophobicContact CG-CE1 3.99Å; P272-F274 PolarHBondContact O-N 3.1Å; F274-H276 PolarHBondContact O-N 3.4Å; F274-T357 HydrophobicContact CD1-CG2 3.91Å; F274-T357 HydrophobicContact CE1-CG2 4.13Å; F274-M413 HydrophobicContact CE1-CE 3.39Å; F274-M413 HydrophobicContact CE1-SD 3.83Å; F274-M413 HydrophobicContact CZ-CE 3.68Å; F274-M413 HydrophobicContact CZ-SD 4.18Å; F274-R415 HydrophobicContact CE2-CG 4.46Å
275	S	94.4	Very high	96.3	Very high	57 Å²	57	54.8 Å²	54.8	40%	0.399	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.7	32	-179.1	-79.4	0	0	0	0	113.6	K355	S275-K355 WeakPolarHBondContact O-CD 3.31Å; S275-K355 PolarHBondContact OG-NZ 3.29Å
276	H	97.3	Very high	96.5	Very high	15 Å²	15	54.7 Å²	54.7	7%	0.069	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.3	168	-179.1	48.4	0	0	0	108.8	K273 F274 K355 Q356 L358	K273-H276 HydrophobicContact CD-CB 4.37Å; F274-H276 PolarHBondContact O-N 3.4Å; H276-K355 VanDerWaalsContact O-CB 3.28Å; H276-K355 WeakPolarHBondContact O-CB 3.4Å; H276-Q356 PolarHBondContact N-O 2.96Å; H276-Q356 WeakPolarHBondContact O-CA 3.28Å; H276-Q356 WeakPolarHBondContact O-CB 3.06Å; H276-Q356 PolarHBondContact O-N 2.77Å; H276-Q356 PolarHBondContact O-OE1 2.98Å; H276-L358 HydrophobicContact CB-CB 3.78Å
277	L	97.3	Very high	96.7	Very high	107 Å²	107	51.4 Å²	51.4	56%	0.56	28%	0.276	S	S	*	.			trans	-97.9	105.3	167.5	-169.6	72	0	0	0	107.1	P351 K355	L277-P351 HydrophobicContact CD1-CB 4.21Å; L277-P351 HydrophobicContact CD1-CG 4.23Å; L277-K355 HydrophobicContact CB-CD 4.49Å
278	I	97.6	Very high	96.9	Very high	6 Å²	6	47 Å²	47	3%	0.031	26%	0.259	C	S	.	.			trans	-86.3	135.5	175.6	-171.9	175.4	0	0	0	109.6	V234 C236 D282 T324 P347 Q356	V234-I278 HydrophobicContact CG1-CD1 4.27Å; C236-I278 HydrophobicContact CB-CD1 3.52Å; I278-D282 HydrophobicContact CD1-CB 4.49Å; I278-D282 HydrophobicContact CG1-CB 4.01Å; I278-T324 HydrophobicContact CB-CG2 4.22Å; I278-T324 HydrophobicContact CD1-CG2 4.07Å; I278-T324 HydrophobicContact CG2-CG2 3.96Å; I278-P347 HydrophobicContact CG2-CB 3.66Å; I278-P347 HydrophobicContact CG2-CG 3.95Å; I278-Q356 HydrophobicContact CG2-CB 4.32Å; I278-Q356 HydrophobicContact CG2-CG 3.91Å; I278-Q356 VanDerWaalsContact N-OE1 3.1Å
279	D	97.3	Very high	97.1	Very high	74 Å²	74	48.7 Å²	48.7	40%	0.396	27%	0.271	S	S	.	.			trans	-80.2	138.1	168.6	-163.5	-60.1	0	0	0	109.3	E281 D282	D279-E281 HydrophobicContact CB-CG 4.06Å; D279-E281 PolarHBondContact O-N 2.75Å; D279-E281 WeakPolarHBondContact OD1-CG 3.32Å; D279-E281 PolarHBondContact OD1-N 3.01Å; D279-D282 WeakPolarHBondContact O-CB 3.37Å; D279-D282 PolarHBondContact O-N 2.93Å
280	P	97.4	Very high	97.2	Very high	56 Å²	56	49.3 Å²	49.3	36%	0.364	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-46.8	-32.5	169.6	-29.2	33.7	0	0	0	113.9	D282 C283 P347 N348	P280-D282 PolarHBondContact O-N 3.36Å; P280-C283 WeakPolarHBondContact O-CB 3.47Å; P280-C283 PolarHBondContact O-N 3.14Å; P280-P347 HydrophobicContact CG-CB 4.06Å; P280-P347 WeakPolarHBondContact CG-O 3.49Å; P280-N348 WeakPolarHBondContact CG-OD1 3.43Å
281	E	97.2	Very high	97.5	Very high	135 Å²	135	46.9 Å²	46.9	63%	0.631	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-72.3	-11.9	177.8	83.7	-172.5	175.3	0	0	114.6	D279 K316	D279-E281 HydrophobicContact CB-CG 4.06Å; D279-E281 PolarHBondContact O-N 2.75Å; D279-E281 WeakPolarHBondContact OD1-CG 3.32Å; D279-E281 PolarHBondContact OD1-N 3.01Å; E281-K316 VanDerWaalsContact C-NZ 3.29Å; E281-K316 WeakPolarHBondContact O-CE 3.27Å; E281-K316 PolarHBondContact O-NZ 2.88Å
282	D	98.4	Very high	97.7	Very high	40 Å²	40	46.9 Å²	46.9	21%	0.214	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-90.4	-12.5	173.9	-73.3	-38.1	0	0	0	112.6	C236 Q237 I278 D279 P280 L284	C236-D282 CarbonylContact C-O 3.57Å; C236-D282 VanDerWaalsContact CA-O 3.26Å; C236-D282 WeakPolarHBondContact CA-O 3.15Å; Q237-D282 HydrophobicContact CB-CB 4.11Å; Q237-D282 PolarHBondContact N-O 3.34Å; I278-D282 HydrophobicContact CD1-CB 4.49Å; I278-D282 HydrophobicContact CG1-CB 4.01Å; D279-D282 WeakPolarHBondContact O-CB 3.37Å; D279-D282 PolarHBondContact O-N 2.93Å; P280-D282 PolarHBondContact O-N 3.36Å; D282-L284 PolarHBondContact O-N 3.47Å
283	C	98.7	Very high	97.8	Very high	16 Å²	16	46.5 Å²	46.5	11%	0.108	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-69.8	122.2	174.7	-64	0	0	0	0	110.1	V234 P280 C285 K316	V234-C283 HydrophobicContact CG2-CB 4.09Å; P280-C283 WeakPolarHBondContact O-CB 3.47Å; P280-C283 PolarHBondContact O-N 3.14Å; C283-C285 VanDerWaalsContact C-N 3.27Å; C283-C285 PolarHBondContact O-N 3Å; C283-K316 WeakPolarHBondContact O-CE 3.24Å; C283-K316 PolarHBondContact O-NZ 2.8Å
284	L	98.8	Very high	97.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	28%	0.275	C	S	.	.	S	Bend	trans	-76.8	-15.2	-177.2	-70.2	168.2	0	0	0	113.5	P235 Q237 D282 E315 F320 V367	P235-L284 HydrophobicContact CB-CD1 4.29Å; P235-L284 HydrophobicContact CG-CB 4.32Å; P235-L284 WeakPolarHBondContact O-CB 3.37Å; P235-L284 PolarHBondContact O-N 3.48Å; Q237-L284 HydrophobicContact CG-CD2 3.91Å; Q237-L284 HydrophobicContact CG-CG 4.36Å; D282-L284 PolarHBondContact O-N 3.47Å; L284-E315 PolarHBondContact O-N 3.35Å; L284-F320 HydrophobicContact CD1-CB 3.85Å; L284-F320 HydrophobicContact CD1-CD2 4.03Å; L284-F320 HydrophobicContact CD1-CG 4.33Å; L284-V367 HydrophobicContact CD1-CG2 4.02Å; L284-V367 HydrophobicContact CD2-CG2 4.3Å
285	C	98.4	Very high	98	Very high	7 Å²	7	45.3 Å²	45.3	5%	0.047	27%	0.266	C	S	.	.	S	Bend	trans	-162	-177.9	174.9	62.2	0	0	0	0	110.3	V234 P235 C283 F312 C313 E315	V234-C285 VanDerWaalsContact CG2-O 3.24Å; V234-C285 WeakPolarHBondContact CG2-O 3.15Å; P235-C285 VanDerWaalsContact CG-SG 3.57Å; C283-C285 VanDerWaalsContact C-N 3.27Å; C283-C285 PolarHBondContact O-N 3Å; C285-F312 WeakPolarHBondContact SG-CD1 3.39Å; C285-C313 WeakPolarHBondContact CB-O 3.48Å; C285-E315 HydrophobicContact CB-CB 4.48Å; C285-E315 HydrophobicContact CB-CG 3.91Å
286	A	98.1	Very high	98.2	Very high	55 Å²	55	45.9 Å²	45.9	46%	0.455	26%	0.259	S	S	.	.			trans	-58.6	142.7	166.3	0	0	0	0	0	112.4	E315	A286-E315 PolarHBondContact N-OE1 2.59Å
287	P	98.3	Very high	98.2	Very high	60 Å²	60	49.3 Å²	49.3	39%	0.39	28%	0.281	S	S	.	.			trans	-71.2	163.7	173.8	32.5	-37.3	0	0	0	111.8	L233 V234 W326	L233-P287 WeakPolarHBondContact O-CA 3.43Å; V234-P287 HydrophobicContact CB-CB 4.12Å; V234-P287 HydrophobicContact CG2-CB 4.37Å; P287-W326 HydrophobicContact CB-CH2 3.57Å; P287-W326 HydrophobicContact CB-CZ2 3.48Å; P287-W326 VanDerWaalsContact CB-CZ2 3.48Å; P287-W326 HydrophobicContact CG-CH2 4.1Å; P287-W326 HydrophobicContact CG-CZ2 3.74Å
288	C	97.4	Very high	98.3	Very high	35 Å²	35	44.7 Å²	44.7	24%	0.236	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.2	167.5	70.6	0	0	0	0	111.7	A232 L233 V290 F312	A232-C288 CarbonylContact C-O 3.48Å; A232-C288 WeakPolarHBondContact CA-O 3.48Å; L233-C288 PolarHBondContact N-O 3.44Å; L233-C288 PolarHBondContact O-N 2.85Å; C288-V290 PolarHBondContact O-N 2.86Å; C288-F312 HydrophobicContact CB-CE1 4.12Å; C288-F312 WeakPolarHBondContact SG-CE1 3.47Å; C288-F312 WeakPolarHBondContact SG-CZ 3.24Å
289	D	98.7	Very high	98.3	Very high	97 Å²	97	47.6 Å²	47.6	52%	0.519	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.5	170.8	-64.4	-19.8	0	0	0	109.3	A230 L231	A230-D289 HydrophobicContact CB-CB 4.34Å; L231-D289 WeakPolarHBondContact O-CA 3.4Å
290	V	98.7	Very high	98.4	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-30.7	-176.1	-69.6	0	0	0	0	112.5	L231 L233 C288 G308 F310 I377	L231-V290 HydrophobicContact CB-CG2 4.37Å; L231-V290 HydrophobicContact CD2-CG2 4.19Å; L231-V290 HydrophobicContact CG-CG2 4.22Å; L231-V290 VanDerWaalsContact O-CG2 3.23Å; L231-V290 WeakPolarHBondContact O-CG2 3.22Å; L231-V290 PolarHBondContact O-N 3Å; L233-V290 HydrophobicContact CB-CG1 3.81Å; L233-V290 HydrophobicContact CB-CG2 4.01Å; L233-V290 HydrophobicContact CD2-CG1 4.34Å; C288-V290 PolarHBondContact O-N 2.86Å; V290-G308 WeakPolarHBondContact O-CA 3.37Å; V290-F310 HydrophobicContact CG1-CB 3.96Å; V290-F310 HydrophobicContact CG1-CD1 4.45Å; V290-I377 HydrophobicContact CB-CG2 3.65Å; V290-I377 HydrophobicContact CG1-CG2 4.26Å; V290-I377 HydrophobicContact CG2-CD1 4.45Å; V290-I377 HydrophobicContact CG2-CG2 3.77Å
291	I	98.6	Very high	98.4	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.3	174.8	-58	-65	0	0	0	108.3	A230 L231 L293 M306	A230-I291 CarbonylContact C-O 3.49Å; A230-I291 VanDerWaalsContact CA-O 3.25Å; A230-I291 WeakPolarHBondContact CA-O 3.29Å; L231-I291 HydrophobicContact CB-CB 4.01Å; L231-I291 HydrophobicContact CD2-CG1 4.3Å; L231-I291 PolarHBondContact N-O 3Å; L231-I291 PolarHBondContact O-N 2.79Å; I291-L293 HydrophobicContact CG2-CD2 4.18Å; I291-M306 HydrophobicContact CD1-CB 3.88Å; I291-M306 HydrophobicContact CG2-CE 3.66Å; I291-M306 HydrophobicContact CG2-SD 3.85Å
292	C	98.7	Very high	98.4	Very high	88 Å²	88	48.5 Å²	48.5	60%	0.595	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.9	176.9	-61.7	0	0	0	0	110.3	A229	A229-C292 CarbonylContact O-C 3.59Å; A229-C292 WeakPolarHBondContact O-CA 3.27Å
293	L	98.8	Very high	98.4	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.7	177.7	-52.1	-179	0	0	0	109.4	W196 L201 L202 S228 A229 I291 M295 V298 M306	W196-L293 HydrophobicContact CH2-CD1 4.12Å; L201-L293 HydrophobicContact CD2-CD1 3.8Å; L201-L293 HydrophobicContact CD2-CG 4.32Å; L201-L293 HydrophobicContact CG-CD1 4.45Å; L202-L293 HydrophobicContact CD2-CD1 3.96Å; S228-L293 CarbonylContact C-O 3.47Å; S228-L293 WeakPolarHBondContact CA-O 3.3Å; S228-L293 VanDerWaalsContact CB-O 3.31Å; S228-L293 WeakPolarHBondContact CB-O 3.37Å; A229-L293 HydrophobicContact CB-CB 4.29Å; A229-L293 HydrophobicContact CB-CD1 4.39Å; A229-L293 PolarHBondContact N-O 3.24Å; A229-L293 PolarHBondContact O-N 2.92Å; I291-L293 HydrophobicContact CG2-CD2 4.18Å; L293-M295 HydrophobicContact CB-SD 3.87Å; L293-M295 HydrophobicContact CD1-SD 4.39Å; L293-V298 HydrophobicContact CD2-CG2 4.35Å; L293-M306 HydrophobicContact CD2-CE 3.29Å; L293-M306 HydrophobicContact CD2-SD 3.85Å
294	N	98.6	Very high	98.4	Very high	78 Å²	78	48.9 Å²	48.9	42%	0.417	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109.4	162.6	177.7	-35.3	0	0	0	107.9	Y296 T297 V298	N294-Y296 PolarHBondContact O-N 2.93Å; N294-Y296 VanDerWaalsContact O-N 3.1Å; N294-Y296 WeakPolarHBondContact OD1-CB 3.1Å; N294-Y296 WeakPolarHBondContact OD1-CD2 3.5Å; N294-Y296 PolarHBondContact OD1-N 3.21Å; N294-T297 WeakPolarHBondContact CB-OG1 2.98Å; N294-T297 PolarHBondContact O-N 2.83Å; N294-T297 PolarHBondContact O-OG1 2.94Å; N294-T297 PolarHBondContact OD1-OG1 3.13Å; N294-V298 WeakPolarHBondContact O-CG1 3.4Å; N294-V298 PolarHBondContact O-N 3.03Å
295	M	98.8	Very high	98.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-14	-170.9	-59.4	-49.7	-63.1	0	0	113.4	W196 V207 V210 L211 R214 M224 P226 S227 L293 V298	W196-M295 HydrophobicContact CH2-CE 4.35Å; W196-M295 HydrophobicContact CH2-SD 4.39Å; W196-M295 HydrophobicContact CZ2-CE 3.62Å; W196-M295 HydrophobicContact CZ2-SD 3.82Å; V207-M295 HydrophobicContact CG2-CE 3.75Å; V210-M295 HydrophobicContact CG1-CE 4.48Å; L211-M295 HydrophobicContact CD2-CE 3.92Å; R214-M295 VanDerWaalsContact CD-O 3.25Å; R214-M295 WeakPolarHBondContact CD-O 3.42Å; R214-M295 PolarHBondContact NH1-O 3.42Å; M224-M295 HydrophobicContact CB-CB 4.18Å; M224-M295 HydrophobicContact CE-CB 4.28Å; M224-M295 HydrophobicContact CG-CB 4.45Å; P226-M295 WeakPolarHBondContact O-CG 3.4Å; S227-M295 WeakPolarHBondContact O-CB 3.24Å; S227-M295 PolarHBondContact O-N 2.89Å; S227-M295 VanDerWaalsContact O-N 3.08Å; L293-M295 HydrophobicContact CB-SD 3.87Å; L293-M295 HydrophobicContact CD1-SD 4.39Å; M295-V298 HydrophobicContact SD-CG1 4.41Å
296	Y	98.3	Very high	98.4	Very high	69 Å²	69	54.6 Å²	54.6	27%	0.271	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-23	174.1	-60.5	-86.8	0	0	0	113.6	M224 N294 E332	M224-Y296 HydrophobicContact CB-CE1 4.07Å; M224-Y296 HydrophobicContact CB-CE2 4.44Å; M224-Y296 HydrophobicContact CG-CD1 4.03Å; M224-Y296 HydrophobicContact CG-CE1 3.95Å; M224-Y296 PolarHBondContact N-OH 3.5Å; N294-Y296 PolarHBondContact O-N 2.93Å; N294-Y296 VanDerWaalsContact O-N 3.1Å; N294-Y296 WeakPolarHBondContact OD1-CB 3.1Å; N294-Y296 WeakPolarHBondContact OD1-CD2 3.5Å; N294-Y296 PolarHBondContact OD1-N 3.21Å; Y296-E332 PolarHBondContact OH-OE2 3.15Å
297	T	98.3	Very high	98.4	Very high	86 Å²	86	55.7 Å²	55.7	53%	0.528	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-28.4	-166.9	56.4	0	0	0	0	114	N294 Q299	N294-T297 WeakPolarHBondContact CB-OG1 2.98Å; N294-T297 PolarHBondContact O-N 2.83Å; N294-T297 PolarHBondContact O-OG1 2.94Å; N294-T297 PolarHBondContact OD1-OG1 3.13Å; T297-Q299 PolarHBondContact O-N 2.78Å; T297-Q299 PolarHBondContact O-NE2 3.37Å
298	V	98.5	Very high	98.5	Very high	11 Å²	11	53 Å²	53	7%	0.067	27%	0.274	C	S	.	.			trans	-57.6	137.4	177.9	67.3	0	0	0	0	110.7	L211 R214 L293 N294 M295 D302 L303	L211-V298 HydrophobicContact CD1-CG1 4.01Å; L211-V298 HydrophobicContact CD2-CG1 3.65Å; L211-V298 HydrophobicContact CG-CG1 4.49Å; R214-V298 PolarHBondContact NH1-O 2.84Å; R214-V298 PolarHBondContact NH2-O 3.49Å; L293-V298 HydrophobicContact CD2-CG2 4.35Å; N294-V298 WeakPolarHBondContact O-CG1 3.4Å; N294-V298 PolarHBondContact O-N 3.03Å; M295-V298 HydrophobicContact SD-CG1 4.41Å; V298-D302 HydrophobicContact CG2-CB 4.11Å; V298-L303 HydrophobicContact CG2-CD2 4.21Å
299	Q	98.6	Very high	98.5	Very high	66 Å²	66	57.5 Å²	57.5	31%	0.308	29%	0.291	S	S	.	.			trans	-109.5	155.1	179.5	-57.8	-61.7	-44.7	0	0	110.1	T297 R301 D302	T297-Q299 PolarHBondContact O-N 2.78Å; T297-Q299 PolarHBondContact O-NE2 3.37Å; Q299-R301 HydrophobicContact CB-CG 3.97Å; Q299-R301 PolarHBondContact O-N 3.41Å; Q299-D302 WeakPolarHBondContact CB-OD2 3.41Å; Q299-D302 PolarHBondContact N-OD2 2.87Å; Q299-D302 VanDerWaalsContact O-CB 3.31Å; Q299-D302 WeakPolarHBondContact O-CB 3.3Å; Q299-D302 PolarHBondContact O-N 3.36Å
300	V	98.4	Very high	98.5	Very high	30 Å²	30	53.4 Å²	53.4	18%	0.182	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-54	-41.1	178.1	176.8	0	0	0	0	111.8	E208 L211 L212 D302 L303	E208-V300 HydrophobicContact CG-CG1 3.77Å; E208-V300 HydrophobicContact CG-CG2 3.94Å; L211-V300 HydrophobicContact CB-CG2 4.08Å; L211-V300 HydrophobicContact CD1-CG2 4.18Å; L212-V300 HydrophobicContact CD2-CG2 4.39Å; V300-D302 PolarHBondContact O-N 2.67Å; V300-L303 VanDerWaalsContact O-CB 3.28Å; V300-L303 WeakPolarHBondContact O-CB 3.2Å; V300-L303 PolarHBondContact O-N 3.14Å
301	R	98.2	Very high	98.5	Very high	191 Å²	191	59.9 Å²	59.9	72%	0.721	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-60.3	-26.4	177.2	69.2	-179.4	177.7	-146.8	-5.6	114	Q299 L303	Q299-R301 HydrophobicContact CB-CG 3.97Å; Q299-R301 PolarHBondContact O-N 3.41Å; R301-L303 PolarHBondContact O-N 3.09Å
302	D	98.2	Very high	98.5	Very high	64 Å²	64	59.7 Å²	59.7	34%	0.342	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-75.4	-15.7	-179.7	-51.6	-31.1	0	0	0	110.6	V298 Q299 V300 M306	V298-D302 HydrophobicContact CG2-CB 4.11Å; Q299-D302 WeakPolarHBondContact CB-OD2 3.41Å; Q299-D302 PolarHBondContact N-OD2 2.87Å; Q299-D302 VanDerWaalsContact O-CB 3.31Å; Q299-D302 WeakPolarHBondContact O-CB 3.3Å; Q299-D302 PolarHBondContact O-N 3.36Å; V300-D302 PolarHBondContact O-N 2.67Å; D302-M306 VanDerWaalsContact O-CG 3.25Å; D302-M306 WeakPolarHBondContact O-CG 3.33Å
303	L	98.4	Very high	98.4	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-84.1	-10.4	179	-53.2	176.4	0	0	0	113.6	L202 F205 V207 L211 V298 V300 R301 M306	L202-L303 HydrophobicContact CD2-CD2 4.36Å; F205-L303 HydrophobicContact CE1-CB 4.35Å; V207-L303 HydrophobicContact CG1-CD1 3.6Å; V207-L303 HydrophobicContact CG1-CD2 4.44Å; L211-L303 HydrophobicContact CD1-CD1 3.94Å; L211-L303 HydrophobicContact CD1-CG 4.49Å; V298-L303 HydrophobicContact CG2-CD2 4.21Å; V300-L303 VanDerWaalsContact O-CB 3.28Å; V300-L303 WeakPolarHBondContact O-CB 3.2Å; V300-L303 PolarHBondContact O-N 3.14Å; R301-L303 PolarHBondContact O-N 3.09Å; L303-M306 HydrophobicContact CD2-SD 4.35Å
304	E	98.3	Very high	98.4	Very high	62 Å²	62	59.2 Å²	59.2	29%	0.29	29%	0.294	S	S	.	.	S	Bend	trans	-67.2	-39.8	-179.3	-65	-53	130.4	0	0	111.9	R380 R381 R386	E304-R380 WeakPolarHBondContact O-CA 3.33Å; E304-R381 PolarHBondContact O-N 2.85Å; E304-R381 IonicContact OE1-NH1 3.19Å; E304-R381 PolarHBondContact OE1-NH1 3.37Å; E304-R386 IonicContact OE1-CZ 3.93Å; E304-R386 IonicContact OE1-NH2 2.68Å; E304-R386 PolarHBondContact OE1-NH2 3.45Å; E304-R386 IonicContact OE2-CZ 3.65Å; E304-R386 IonicContact OE2-NH1 2.73Å; E304-R386 PolarHBondContact OE2-NH1 3.33Å; E304-R386 VanDerWaalsContact OE2-NH1 3.08Å; E304-R386 IonicContact OE2-NH2 2.84Å; E304-R386 PolarHBondContact OE2-NH2 3.15Å
305	E	98.4	Very high	98.4	Very high	101 Å²	101	61.7 Å²	61.7	47%	0.472	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	123.9	174	-172.8	172.5	101.8	0	0	110.3	V378 L379 R380	E305-V378 HydrophobicContact CG-CG1 3.82Å; E305-L379 CarbonylContact C-O 3.55Å; E305-L379 VanDerWaalsContact CA-O 3.31Å; E305-L379 WeakPolarHBondContact CA-O 3.48Å; E305-R380 IonicContact OE2-CZ 3.45Å; E305-R380 IonicContact OE2-NE 3.85Å; E305-R380 PolarHBondContact OE2-NE 3.21Å; E305-R380 IonicContact OE2-NH2 2.85Å; E305-R380 PolarHBondContact OE2-NH2 2.72Å
306	M	98.6	Very high	98.3	Very high	27 Å²	27	64.8 Å²	64.8	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.7	176.9	-53	-166.6	80.4	0	0	110	L202 I291 L293 D302 L303 V378 L379	L202-M306 HydrophobicContact CD1-SD 3.81Å; I291-M306 HydrophobicContact CD1-CB 3.88Å; I291-M306 HydrophobicContact CG2-CE 3.66Å; I291-M306 HydrophobicContact CG2-SD 3.85Å; L293-M306 HydrophobicContact CD2-CE 3.29Å; L293-M306 HydrophobicContact CD2-SD 3.85Å; D302-M306 VanDerWaalsContact O-CG 3.25Å; D302-M306 WeakPolarHBondContact O-CG 3.33Å; L303-M306 HydrophobicContact CD2-SD 4.35Å; M306-V378 CarbonylContact O-C 3.53Å; M306-V378 WeakPolarHBondContact O-CA 3.48Å; M306-L379 HydrophobicContact CB-CB 4.45Å; M306-L379 PolarHBondContact N-O 2.73Å; M306-L379 PolarHBondContact O-N 3.28Å
307	T	98.7	Very high	98.2	Very high	77 Å²	77	65.4 Å²	65.4	47%	0.472	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.5	178.4	-59.4	0	0	0	0	110.5	N376 I377 V378	T307-N376 HydrophobicContact CG2-CB 4.28Å; T307-I377 CarbonylContact C-O 3.52Å; T307-I377 WeakPolarHBondContact CA-O 3.26Å; T307-V378 HydrophobicContact CG2-CG2 4.16Å
308	G	98.6	Very high	98.2	Very high	4 Å²	4	61.8 Å²	61.8	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.8	175.4	0	0	0	0	0	110.9	V290 N376 I377	V290-G308 WeakPolarHBondContact O-CA 3.37Å; G308-N376 CarbonylContact O-C 3.5Å; G308-N376 WeakPolarHBondContact O-CA 3.15Å; G308-N376 VanDerWaalsContact O-CB 3.23Å; G308-N376 WeakPolarHBondContact O-CB 3.37Å; G308-I377 PolarHBondContact N-O 2.86Å; G308-I377 PolarHBondContact O-N 3.47Å
309	E	98.6	Very high	98.2	Very high	130 Å²	130	63.4 Å²	63.4	61%	0.607	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	145	173.5	-62.8	-68.3	145.7	0	0	109.6	G375 N376	E309-G375 WeakPolarHBondContact CA-O 3.2Å; E309-N376 WeakPolarHBondContact OE1-CB 3.31Å; E309-N376 PolarHBondContact OE1-ND2 3.05Å
310	F	98.6	Very high	98.2	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.044	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.1	174.1	59.6	-103.4	0	0	0	111.7	L233 V290 F312 F323 I373 H374 G375 N376 L393 H394 W395	L233-F310 HydrophobicContact CD2-CD1 3.79Å; L233-F310 HydrophobicContact CD2-CE1 3.95Å; L233-F310 HydrophobicContact CD2-CG 4.41Å; V290-F310 HydrophobicContact CG1-CB 3.96Å; V290-F310 HydrophobicContact CG1-CD1 4.45Å; F310-F312 HydrophobicContact CB-CD2 4.37Å; F310-F312 HydrophobicContact CB-CE2 3.68Å; F310-F312 HydrophobicContact CB-CZ 3.97Å; F310-F312 HydrophobicContact CD1-CE2 4.49Å; F310-F312 AromaticContact CD2-CD2 3.58Å; F310-F312 HydrophobicContact CD2-CD2 3.58Å; F310-F312 AromaticContact CD2-CE2 3.36Å; F310-F312 HydrophobicContact CD2-CE2 3.36Å; F310-F312 HydrophobicContact CD2-CZ 4.44Å; F310-F312 HydrophobicContact CE2-CD2 4.24Å; F310-F312 HydrophobicContact CE2-CE2 4.11Å; F310-F312 HydrophobicContact CG-CD2 4.25Å; F310-F312 AromaticContact CG-CE2 3.6Å; F310-F312 HydrophobicContact CG-CE2 3.6Å; F310-F312 HydrophobicContact CG-CZ 4.32Å; F310-F323 HydrophobicContact CE2-CE1 4.01Å; F310-F323 HydrophobicContact CE2-CZ 4.02Å; F310-F323 HydrophobicContact CZ-CE1 4.02Å; F310-F323 AromaticContact CZ-CZ 3.79Å; F310-F323 HydrophobicContact CZ-CZ 3.79Å; F310-I373 HydrophobicContact CE2-CG2 4.38Å; F310-H374 VanDerWaalsContact O-CA 3.28Å; F310-H374 WeakPolarHBondContact O-CA 3.34Å; F310-G375 PolarHBondContact N-O 2.89Å; F310-G375 PolarHBondContact O-N 3.37Å; F310-N376 VanDerWaalsContact CE1-C 3.44Å; F310-L393 HydrophobicContact CE1-CD2 4.14Å; F310-H394 WeakPolarHBondContact CZ-O 3.37Å; F310-W395 HydrophobicContact CE2-CB 4.34Å; F310-W395 HydrophobicContact CZ-CB 4.14Å
311	Q	98.2	Very high	98.2	Very high	149 Å²	149	59.1 Å²	59.1	70%	0.696	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	115.9	169.4	-179	175.1	2.8	0	0	109.2	H374	Q311-H374 HydrophobicContact CB-CB 4.23Å; Q311-H374 HydrophobicContact CG-CB 4.16Å
312	F	98.4	Very high	98.2	Very high	4 Å²	4	50 Å²	50	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.9	178.5	-59.7	-68	0	0	0	110.1	L233 P235 C285 C288 F310 F323 S372 I373	L233-F312 HydrophobicContact CB-CZ 4.29Å; L233-F312 HydrophobicContact CD2-CE2 4.49Å; L233-F312 HydrophobicContact CG-CZ 4.5Å; L233-F312 WeakPolarHBondContact O-CE1 3.4Å; L233-F312 VanDerWaalsContact O-CZ 3.26Å; L233-F312 WeakPolarHBondContact O-CZ 3.45Å; P235-F312 HydrophobicContact CG-CB 4.05Å; P235-F312 HydrophobicContact CG-CD1 4.3Å; P235-F312 HydrophobicContact CG-CD2 3.99Å; P235-F312 HydrophobicContact CG-CG 3.85Å; C285-F312 WeakPolarHBondContact SG-CD1 3.39Å; C288-F312 HydrophobicContact CB-CE1 4.12Å; C288-F312 WeakPolarHBondContact SG-CE1 3.47Å; C288-F312 WeakPolarHBondContact SG-CZ 3.24Å; F310-F312 HydrophobicContact CB-CD2 4.37Å; F310-F312 HydrophobicContact CB-CE2 3.68Å; F310-F312 HydrophobicContact CB-CZ 3.97Å; F310-F312 HydrophobicContact CD1-CE2 4.49Å; F310-F312 AromaticContact CD2-CD2 3.58Å; F310-F312 HydrophobicContact CD2-CD2 3.58Å; F310-F312 AromaticContact CD2-CE2 3.36Å; F310-F312 HydrophobicContact CD2-CE2 3.36Å; F310-F312 HydrophobicContact CD2-CZ 4.44Å; F310-F312 HydrophobicContact CE2-CD2 4.24Å; F310-F312 HydrophobicContact CE2-CE2 4.11Å; F310-F312 HydrophobicContact CG-CD2 4.25Å; F310-F312 AromaticContact CG-CE2 3.6Å; F310-F312 HydrophobicContact CG-CE2 3.6Å; F310-F312 HydrophobicContact CG-CZ 4.32Å; F312-F323 HydrophobicContact CD2-CE1 4.4Å; F312-F323 HydrophobicContact CE2-CD1 4.4Å; F312-F323 HydrophobicContact CE2-CE1 4.04Å; F312-S372 VanDerWaalsContact O-CA 3.32Å; F312-S372 WeakPolarHBondContact O-CA 3.34Å; F312-S372 PolarHBondContact O-OG 3.48Å; F312-I373 HydrophobicContact CB-CB 4.27Å; F312-I373 PolarHBondContact N-O 2.91Å; F312-I373 PolarHBondContact O-N 2.65Å
313	C	97.9	Very high	98.2	Very high	81 Å²	81	47 Å²	47	55%	0.547	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114	166.4	-175.1	0	0	0	0	106.8	C285 E315	C285-C313 WeakPolarHBondContact CB-O 3.48Å; C313-E315 PolarHBondContact O-N 3.03Å
314	V	98.2	Very high	98.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.244	C	C	.	.			trans	-63.1	123.6	-177.6	176	0	0	0	0	109.1	K316 V367 Y368 A369 G370 D371 I373	V314-K316 WeakPolarHBondContact CG1-O 3.12Å; V314-V367 HydrophobicContact CG1-CB 4.42Å; V314-V367 HydrophobicContact CG1-CG2 4.01Å; V314-V367 HydrophobicContact CG2-CB 4.34Å; V314-V367 HydrophobicContact CG2-CG2 4.33Å; V314-Y368 WeakPolarHBondContact CB-O 3.42Å; V314-Y368 VanDerWaalsContact CG1-O 3.28Å; V314-Y368 WeakPolarHBondContact CG1-O 3.4Å; V314-A369 CarbonylContact O-C 3.52Å; V314-A369 WeakPolarHBondContact O-CA 3.21Å; V314-G370 PolarHBondContact O-N 3.43Å; V314-D371 HydrophobicContact CB-CB 4.31Å; V314-D371 HydrophobicContact CG2-CB 4.13Å; V314-D371 WeakPolarHBondContact CG2-O 3.43Å; V314-D371 PolarHBondContact N-O 3.16Å; V314-I373 HydrophobicContact CG2-CD1 3.88Å; V314-I373 HydrophobicContact CG2-CG1 4.09Å
315	E	98.2	Very high	98.3	Very high	129 Å²	129	44 Å²	44	60%	0.603	23%	0.23	S	C	*	.			trans	-91.6	-25.6	-174.6	-69.1	173.1	-168.9	0	0	112.1	L284 C285 A286 C313	L284-E315 PolarHBondContact O-N 3.35Å; C285-E315 HydrophobicContact CB-CB 4.48Å; C285-E315 HydrophobicContact CB-CG 3.91Å; A286-E315 PolarHBondContact N-OE1 2.59Å; C313-E315 PolarHBondContact O-N 3.03Å
316	K	96.9	Very high	98.3	Very high	66 Å²	66	39.8 Å²	39.8	29%	0.287	21%	0.21	S	C	.	.	S	Bend	trans	-139.8	145.9	-179.4	66.5	-173.7	177.3	-154.3	0	111.8	E281 C283 V314	E281-K316 VanDerWaalsContact C-NZ 3.29Å; E281-K316 WeakPolarHBondContact O-CE 3.27Å; E281-K316 PolarHBondContact O-NZ 2.88Å; C283-K316 WeakPolarHBondContact O-CE 3.24Å; C283-K316 PolarHBondContact O-NZ 2.8Å; V314-K316 WeakPolarHBondContact CG1-O 3.12Å
317	P	96.8	Very high	98.3	Very high	81 Å²	81	38.6 Å²	38.6	53%	0.526	20%	0.204	S	C	.	.			trans	-66	143.5	173.9	30.3	-35.1	0	0	0	110.6	V367 Y368	P317-V367 WeakPolarHBondContact CA-O 3.38Å; P317-Y368 HydrophobicContact CB-CD1 4.29Å
318	G	97.4	Very high	98.3	Very high	10 Å²	10	35.8 Å²	35.8	10%	0.103	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179	-176.8	-177.6	0	0	0	0	0	112.4	Q366 V367	G318-Q366 PolarHBondContact O-NE2 3.16Å; G318-V367 PolarHBondContact N-O 2.94Å; G318-V367 VanDerWaalsContact N-O 3.08Å; G318-V367 WeakPolarHBondContact O-CG2 3.23Å; G318-V367 PolarHBondContact O-N 3.08Å
319	I	98.3	Very high	98.4	Very high	46 Å²	46	35.6 Å²	35.6	24%	0.236	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.9	176.5	-55.7	-62.5	0	0	0	109.3	Q237 H321 P364 Q366	Q237-I319 WeakPolarHBondContact CG-O 3.49Å; I319-H321 WeakPolarHBondContact CG2-CE1 3.48Å; I319-H321 PolarHBondContact O-N 2.88Å; I319-H321 PolarHBondContact O-ND1 2.79Å; I319-P364 HydrophobicContact CG2-CB 3.34Å; I319-P364 HydrophobicContact CG2-CG 4.49Å; I319-Q366 HydrophobicContact CD1-CB 4.28Å
320	F	98.6	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	98.7	171.9	177	-139.2	0	0	0	109.8	P235 L284 G322 F323 L361 P364 I365 V367 I373 I397	P235-F320 HydrophobicContact CB-CD2 3.78Å; P235-F320 HydrophobicContact CB-CE2 3.51Å; P235-F320 HydrophobicContact CB-CZ 4.34Å; L284-F320 HydrophobicContact CD1-CB 3.85Å; L284-F320 HydrophobicContact CD1-CD2 4.03Å; L284-F320 HydrophobicContact CD1-CG 4.33Å; F320-G322 WeakPolarHBondContact CD2-O 3.41Å; F320-G322 WeakPolarHBondContact CE2-O 3.42Å; F320-F323 HydrophobicContact CE1-CZ 4.45Å; F320-F323 HydrophobicContact CE2-CD1 4.35Å; F320-F323 HydrophobicContact CE2-CD2 4.3Å; F320-F323 HydrophobicContact CE2-CE1 4.24Å; F320-F323 HydrophobicContact CE2-CE2 4.23Å; F320-F323 HydrophobicContact CE2-CG 4.4Å; F320-F323 HydrophobicContact CE2-CZ 4.21Å; F320-F323 HydrophobicContact CZ-CD1 4.42Å; F320-F323 HydrophobicContact CZ-CD2 4.02Å; F320-F323 AromaticContact CZ-CE1 3.95Å; F320-F323 HydrophobicContact CZ-CE1 3.95Å; F320-F323 AromaticContact CZ-CE2 3.53Å; F320-F323 HydrophobicContact CZ-CE2 3.53Å; F320-F323 HydrophobicContact CZ-CG 4.47Å; F320-F323 AromaticContact CZ-CZ 3.5Å; F320-F323 HydrophobicContact CZ-CZ 3.5Å; F320-F323 VanDerWaalsContact CZ-CZ 3.5Å; F320-L361 HydrophobicContact CD1-CD2 4.03Å; F320-L361 HydrophobicContact CE1-CD1 4.13Å; F320-L361 HydrophobicContact CE1-CD2 3.73Å; F320-L361 HydrophobicContact CE2-CD1 4.09Å; F320-L361 HydrophobicContact CZ-CD1 3.8Å; F320-L361 HydrophobicContact CZ-CD2 4.24Å; F320-P364 WeakPolarHBondContact O-CA 3.35Å; F320-I365 HydrophobicContact CB-CB 4.49Å; F320-I365 WeakPolarHBondContact CB-O 3.32Å; F320-I365 HydrophobicContact CD1-CB 4.39Å; F320-I365 HydrophobicContact CD1-CD1 4.42Å; F320-I365 PolarHBondContact N-O 3.09Å; F320-I365 PolarHBondContact O-N 2.99Å; F320-V367 HydrophobicContact CB-CG1 3.92Å; F320-V367 HydrophobicContact CB-CG2 4.15Å; F320-I373 HydrophobicContact CD1-CD1 4.11Å; F320-I373 HydrophobicContact CD2-CD1 4.49Å; F320-I373 HydrophobicContact CE1-CD1 4.2Å; F320-I373 HydrophobicContact CE1-CG2 4.48Å; F320-I373 HydrophobicContact CG-CD1 4.27Å; F320-I373 HydrophobicContact CZ-CD1 4.43Å; F320-I397 HydrophobicContact CD1-CD1 3.78Å; F320-I397 HydrophobicContact CE1-CD1 4.02Å
321	H	98.8	Very high	98.4	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.023	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-31.4	-179.3	-75.7	96.5	0	0	0	112.6	C236 A238 D239 Y242 I319 M360 L361	C236-H321 PolarHBondContact O-N 2.98Å; A238-H321 HydrophobicContact CB-CB 3.82Å; A238-H321 PolarHBondContact N-ND1 2.86Å; A238-H321 VanDerWaalsContact N-ND1 3.18Å; D239-H321 IonicContact OD1-CE1 3.72Å; D239-H321 PolarHBondContact OD1-CE1 2.82Å; D239-H321 VanDerWaalsContact OD1-CE1 3.27Å; D239-H321 IonicContact OD1-NE2 2.7Å; D239-H321 IonicContact OD2-CE1 3.92Å; Y242-H321 AromaticContact CD2-CD2 3.93Å; Y242-H321 AromaticContact CG-CD2 3.82Å; Y242-H321 AromaticContact CG-NE2 3.85Å; I319-H321 WeakPolarHBondContact CG2-CE1 3.48Å; I319-H321 PolarHBondContact O-N 2.88Å; I319-H321 PolarHBondContact O-ND1 2.79Å; H321-M360 HydrophobicContact CB-CE 4.24Å; H321-M360 HydrophobicContact CB-SD 4.34Å; H321-L361 WeakPolarHBondContact O-CB 3.45Å; H321-L361 WeakPolarHBondContact O-CD1 3.45Å; H321-L361 PolarHBondContact O-N 2.79Å
322	G	98.6	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	171.9	-164.3	0	0	0	0	0	112.7	C236 F320 F359	C236-G322 PolarHBondContact N-O 3.24Å; C236-G322 PolarHBondContact O-N 3.04Å; C236-G322 PolarHBondContact SG-O 3.24Å; F320-G322 WeakPolarHBondContact CD2-O 3.41Å; F320-G322 WeakPolarHBondContact CE2-O 3.42Å; G322-F359 CarbonylContact C-O 3.5Å; G322-F359 WeakPolarHBondContact CA-O 2.93Å
323	F	98.9	Very high	98.1	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.5	160.3	-61.8	-90.8	0	0	0	109.4	L233 V234 P235 F310 F312 F320 F359 I373 L393 W395	L233-F323 HydrophobicContact CD1-CB 3.72Å; L233-F323 HydrophobicContact CD1-CG 4.41Å; L233-F323 HydrophobicContact CD2-CB 4.46Å; L233-F323 HydrophobicContact CD2-CD1 3.85Å; L233-F323 HydrophobicContact CD2-CE1 4.34Å; L233-F323 HydrophobicContact CD2-CG 4.29Å; L233-F323 HydrophobicContact CG-CB 4.11Å; L233-F323 HydrophobicContact CG-CD1 3.99Å; L233-F323 HydrophobicContact CG-CG 4.37Å; V234-F323 CarbonylContact O-C 3.6Å; V234-F323 VanDerWaalsContact O-CA 3.27Å; V234-F323 WeakPolarHBondContact O-CA 3.48Å; P235-F323 HydrophobicContact CB-CD1 4.32Å; P235-F323 HydrophobicContact CB-CE1 4.33Å; F310-F323 HydrophobicContact CE2-CE1 4.01Å; F310-F323 HydrophobicContact CE2-CZ 4.02Å; F310-F323 HydrophobicContact CZ-CE1 4.02Å; F310-F323 AromaticContact CZ-CZ 3.79Å; F310-F323 HydrophobicContact CZ-CZ 3.79Å; F312-F323 HydrophobicContact CD2-CE1 4.4Å; F312-F323 HydrophobicContact CE2-CD1 4.4Å; F312-F323 HydrophobicContact CE2-CE1 4.04Å; F320-F323 HydrophobicContact CE1-CZ 4.45Å; F320-F323 HydrophobicContact CE2-CD1 4.35Å; F320-F323 HydrophobicContact CE2-CD2 4.3Å; F320-F323 HydrophobicContact CE2-CE1 4.24Å; F320-F323 HydrophobicContact CE2-CE2 4.23Å; F320-F323 HydrophobicContact CE2-CG 4.4Å; F320-F323 HydrophobicContact CE2-CZ 4.21Å; F320-F323 HydrophobicContact CZ-CD1 4.42Å; F320-F323 HydrophobicContact CZ-CD2 4.02Å; F320-F323 AromaticContact CZ-CE1 3.95Å; F320-F323 HydrophobicContact CZ-CE1 3.95Å; F320-F323 AromaticContact CZ-CE2 3.53Å; F320-F323 HydrophobicContact CZ-CE2 3.53Å; F320-F323 HydrophobicContact CZ-CG 4.47Å; F320-F323 AromaticContact CZ-CZ 3.5Å; F320-F323 HydrophobicContact CZ-CZ 3.5Å; F320-F323 VanDerWaalsContact CZ-CZ 3.5Å; F323-F359 HydrophobicContact CB-CB 4.49Å; F323-F359 PolarHBondContact N-O 2.88Å; F323-F359 PolarHBondContact O-N 3Å; F323-I373 HydrophobicContact CE1-CG2 4.42Å; F323-I373 HydrophobicContact CZ-CG2 4.26Å; F323-L393 HydrophobicContact CB-CD1 4.27Å; F323-L393 HydrophobicContact CD2-CD1 3.74Å; F323-L393 HydrophobicContact CD2-CD2 4.44Å; F323-L393 HydrophobicContact CE2-CD1 4.39Å; F323-L393 HydrophobicContact CG-CD1 4.27Å; F323-W395 HydrophobicContact CE2-CB 4.43Å; F323-W395 HydrophobicContact CE2-CD2 4.24Å; F323-W395 HydrophobicContact CE2-CE3 4.13Å; F323-W395 HydrophobicContact CE2-CG 4.38Å; F323-W395 HydrophobicContact CZ-CB 4Å; F323-W395 HydrophobicContact CZ-CG 4.31Å
324	T	98.9	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.7	167.2	-68.1	0	0	0	0	109.6	L233 V234 C236 I278 W326 Q356 T357	L233-T324 WeakPolarHBondContact CA-O 3.44Å; V234-T324 PolarHBondContact N-O 3.35Å; V234-T324 PolarHBondContact O-N 2.86Å; C236-T324 PolarHBondContact SG-OG1 2.82Å; I278-T324 HydrophobicContact CB-CG2 4.22Å; I278-T324 HydrophobicContact CD1-CG2 4.07Å; I278-T324 HydrophobicContact CG2-CG2 3.96Å; T324-W326 HydrophobicContact CG2-CE3 4.17Å; T324-W326 HydrophobicContact CG2-CZ3 4.32Å; T324-Q356 HydrophobicContact CG2-CB 3.47Å; T324-Q356 VanDerWaalsContact CG2-CB 3.47Å; T324-Q356 HydrophobicContact CG2-CG 4.2Å; T324-T357 CarbonylContact C-O 3.41Å; T324-T357 WeakPolarHBondContact CA-O 3.33Å
325	A	98.9	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.9	176.9	0	0	0	0	0	111.9	L231 A232 L233 T357 F359	L231-A325 HydrophobicContact CD1-CB 4.29Å; A232-A325 WeakPolarHBondContact O-CA 3.4Å; A232-A325 WeakPolarHBondContact O-CB 3.48Å; L233-A325 HydrophobicContact CD1-CB 3.83Å; A325-T357 PolarHBondContact N-O 3.28Å; A325-T357 PolarHBondContact O-N 2.84Å; A325-F359 HydrophobicContact CB-CE2 3.76Å
326	W	98.9	Very high	97.2	Very high	13 Å²	13	36.1 Å²	36.1	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	176.9	173.8	65.3	88.4	0	0	0	108.9	L231 A232 V234 P287 T324 T345 P347 Q356	L231-W326 WeakPolarHBondContact CD1-O 3.4Å; A232-W326 HydrophobicContact CB-CD2 4.22Å; A232-W326 HydrophobicContact CB-CG 4.45Å; A232-W326 HydrophobicContact CB-CZ2 4.14Å; A232-W326 PolarHBondContact N-O 3.24Å; A232-W326 PolarHBondContact O-N 3.26Å; V234-W326 HydrophobicContact CB-CH2 3.97Å; V234-W326 HydrophobicContact CB-CZ3 4.13Å; V234-W326 HydrophobicContact CG1-CH2 3.74Å; V234-W326 HydrophobicContact CG1-CZ3 3.5Å; P287-W326 HydrophobicContact CB-CH2 3.57Å; P287-W326 HydrophobicContact CB-CZ2 3.48Å; P287-W326 VanDerWaalsContact CB-CZ2 3.48Å; P287-W326 HydrophobicContact CG-CH2 4.1Å; P287-W326 HydrophobicContact CG-CZ2 3.74Å; T324-W326 HydrophobicContact CG2-CE3 4.17Å; T324-W326 HydrophobicContact CG2-CZ3 4.32Å; W326-T345 WeakPolarHBondContact CB-OG1 3.36Å; W326-P347 HydrophobicContact CH2-CG 4.14Å; W326-P347 HydrophobicContact CZ2-CG 4.47Å; W326-P347 HydrophobicContact CZ3-CG 4.39Å; W326-Q356 HydrophobicContact CB-CB 4.43Å; W326-Q356 HydrophobicContact CB-CG 3.87Å; W326-Q356 HydrophobicContact CE3-CG 4.25Å; W326-Q356 HydrophobicContact CG-CG 4.49Å
327	F	98.9	Very high	96.6	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160	-179.6	65.6	-98.5	0	0	0	112.6	M197 G198 L201 A230 V329 T345 W354	M197-F327 HydrophobicContact CB-CD2 4.44Å; M197-F327 HydrophobicContact CB-CE1 4.15Å; M197-F327 HydrophobicContact CB-CE2 3.71Å; M197-F327 HydrophobicContact CB-CZ 3.53Å; M197-F327 HydrophobicContact CE-CE2 4.1Å; M197-F327 HydrophobicContact CG-CD2 4.42Å; M197-F327 HydrophobicContact CG-CE2 3.93Å; M197-F327 HydrophobicContact CG-CZ 4.28Å; G198-F327 WeakPolarHBondContact O-CE1 3.26Å; L201-F327 HydrophobicContact CB-CB 4.02Å; L201-F327 HydrophobicContact CB-CD1 4.4Å; L201-F327 HydrophobicContact CB-CG 4.33Å; L201-F327 HydrophobicContact CD1-CB 4.12Å; L201-F327 HydrophobicContact CD1-CD2 4.19Å; L201-F327 HydrophobicContact CD1-CG 4.07Å; A230-F327 CarbonylContact O-C 3.58Å; A230-F327 WeakPolarHBondContact O-CA 3.44Å; A230-F327 WeakPolarHBondContact O-CB 3.45Å; F327-V329 HydrophobicContact CD2-CG1 4.1Å; F327-V329 HydrophobicContact CE2-CG1 4.43Å; F327-T345 HydrophobicContact CD1-CG2 4.5Å; F327-T345 HydrophobicContact CD2-CG2 4.08Å; F327-T345 HydrophobicContact CE1-CG2 4.11Å; F327-T345 HydrophobicContact CE2-CG2 3.65Å; F327-T345 HydrophobicContact CG-CG2 4.49Å; F327-T345 HydrophobicContact CZ-CG2 3.67Å; F327-T345 PolarHBondContact N-OG1 3.06Å; F327-T345 VanDerWaalsContact N-OG1 3.15Å; F327-T345 PolarHBondContact O-N 3.43Å; F327-T345 PolarHBondContact O-OG1 2.69Å; F327-W354 HydrophobicContact CE1-CB 4.42Å; F327-W354 HydrophobicContact CE1-CD2 4.08Å; F327-W354 AromaticContact CE1-CG 3.95Å; F327-W354 HydrophobicContact CE1-CG 3.95Å; F327-W354 AromaticContact CZ-CD2 3.63Å; F327-W354 HydrophobicContact CZ-CD2 3.63Å; F327-W354 AromaticContact CZ-CE2 3.74Å; F327-W354 AromaticContact CZ-CE3 3.89Å; F327-W354 HydrophobicContact CZ-CE3 3.89Å; F327-W354 HydrophobicContact CZ-CG 4.02Å; F327-W354 HydrophobicContact CZ-CH2 4.36Å; F327-W354 HydrophobicContact CZ-CZ2 4.12Å; F327-W354 HydrophobicContact CZ-CZ3 4.25Å
328	T	98.8	Very high	96.3	Very high	18 Å²	18	34.6 Å²	34.6	11%	0.11	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.9	170	-58.5	0	0	0	0	108.3	A229 A230 L330 E342 L343 N344	A229-T328 CarbonylContact C-O 3.59Å; A229-T328 WeakPolarHBondContact CA-O 3.21Å; A230-T328 PolarHBondContact N-O 3.17Å; A230-T328 PolarHBondContact O-N 2.64Å; T328-L330 HydrophobicContact CG2-CD2 4.39Å; T328-E342 HydrophobicContact CG2-CG 3.42Å; T328-E342 VanDerWaalsContact CG2-CG 3.42Å; T328-L343 CarbonylContact C-O 3.59Å; T328-L343 VanDerWaalsContact CA-O 3.31Å; T328-L343 WeakPolarHBondContact CA-O 3.39Å; T328-N344 HydrophobicContact CG2-CB 4.23Å; T328-N344 VanDerWaalsContact OG1-CG 3.28Å; T328-N344 PolarHBondContact OG1-ND2 2.86Å; T328-N344 PolarHBondContact OG1-OD1 2.83Å
329	V	98.9	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.9	171.3	-58.8	0	0	0	0	110.7	M197 L201 P226 S228 A229 F327 F331 L343	M197-V329 HydrophobicContact CE-CG1 4.2Å; M197-V329 HydrophobicContact CE-CG2 3.82Å; M197-V329 HydrophobicContact CG-CG1 3.89Å; M197-V329 HydrophobicContact SD-CG1 4.08Å; M197-V329 HydrophobicContact SD-CG2 4.48Å; L201-V329 HydrophobicContact CD1-CG1 4.35Å; P226-V329 HydrophobicContact CB-CB 3.68Å; P226-V329 HydrophobicContact CB-CG1 4.36Å; P226-V329 HydrophobicContact CB-CG2 4.11Å; P226-V329 HydrophobicContact CG-CB 4.07Å; P226-V329 HydrophobicContact CG-CG1 4.24Å; P226-V329 HydrophobicContact CG-CG2 4.42Å; S228-V329 WeakPolarHBondContact O-CA 3.26Å; A229-V329 HydrophobicContact CB-CG1 3.73Å; F327-V329 HydrophobicContact CD2-CG1 4.1Å; F327-V329 HydrophobicContact CE2-CG1 4.43Å; V329-F331 HydrophobicContact CG2-CE2 3.76Å; V329-F331 HydrophobicContact CG2-CZ 3.81Å; V329-L343 HydrophobicContact CG2-CB 3.76Å; V329-L343 HydrophobicContact CG2-CD2 4.19Å; V329-L343 HydrophobicContact CG2-CG 4.37Å; V329-L343 PolarHBondContact N-O 3.04Å; V329-L343 PolarHBondContact O-N 2.71Å
330	L	98.7	Very high	95.8	Very high	55 Å²	55	39.5 Å²	39.5	29%	0.288	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.5	-177.9	-59.5	-179	0	0	0	110.4	P226 S227 S228 T328 T340 V341 E342	P226-L330 CarbonylContact C-O 3.5Å; P226-L330 WeakPolarHBondContact CA-O 3.01Å; P226-L330 VanDerWaalsContact CB-O 3.31Å; P226-L330 WeakPolarHBondContact CB-O 3.33Å; S227-L330 PolarHBondContact N-O 2.87Å; S227-L330 PolarHBondContact OG-O 3.23Å; S228-L330 PolarHBondContact O-N 3.21Å; S228-L330 WeakPolarHBondContact OG-CB 3.45Å; T328-L330 HydrophobicContact CG2-CD2 4.39Å; L330-T340 HydrophobicContact CB-CG2 3.77Å; L330-T340 HydrophobicContact CD2-CG2 4.18Å; L330-T340 HydrophobicContact CG-CG2 4.38Å; L330-V341 WeakPolarHBondContact CA-O 3.09Å; L330-E342 HydrophobicContact CD2-CB 3.77Å; L330-E342 HydrophobicContact CD2-CG 3.77Å
331	F	98.7	Very high	95.8	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	99.5	178.5	-55.4	-93.5	0	0	0	108.8	T108 Y109 V112 W225 P226 V329 T340 V341 L343	T108-F331 HydrophobicContact CG2-CD2 4.47Å; T108-F331 HydrophobicContact CG2-CE2 4.01Å; Y109-F331 HydrophobicContact CD1-CE1 4.29Å; Y109-F331 AromaticContact CE1-CE1 3.67Å; Y109-F331 HydrophobicContact CE1-CE1 3.67Å; Y109-F331 AromaticContact CE1-CZ 3.95Å; Y109-F331 HydrophobicContact CE1-CZ 3.95Å; Y109-F331 AromaticContact CE2-CZ 4Å; Y109-F331 HydrophobicContact CE2-CZ 4Å; Y109-F331 AromaticContact CZ-CE1 3.81Å; Y109-F331 AromaticContact CZ-CZ 3.64Å; V112-F331 HydrophobicContact CG1-CB 4.09Å; V112-F331 HydrophobicContact CG1-CD1 4.21Å; V112-F331 HydrophobicContact CG1-CG 4.33Å; V112-F331 HydrophobicContact CG2-CB 3.59Å; V112-F331 HydrophobicContact CG2-CD1 3.77Å; V112-F331 HydrophobicContact CG2-CD2 3.65Å; V112-F331 HydrophobicContact CG2-CE1 4.35Å; V112-F331 HydrophobicContact CG2-CE2 4.25Å; V112-F331 HydrophobicContact CG2-CG 3.39Å; W225-F331 HydrophobicContact CB-CD1 3.78Å; W225-F331 HydrophobicContact CB-CE1 4.28Å; W225-F331 AromaticContact CD1-CD1 3.98Å; W225-F331 AromaticContact CG-CD1 3.93Å; W225-F331 HydrophobicContact CG-CD1 3.93Å; P226-F331 HydrophobicContact CB-CD1 4.17Å; P226-F331 HydrophobicContact CB-CE1 3.85Å; P226-F331 HydrophobicContact CB-CZ 4.14Å; P226-F331 HydrophobicContact CG-CE1 4.5Å; V329-F331 HydrophobicContact CG2-CE2 3.76Å; V329-F331 HydrophobicContact CG2-CZ 3.81Å; F331-T340 WeakPolarHBondContact O-CA 3.19Å; F331-T340 WeakPolarHBondContact O-CG2 3.48Å; F331-V341 HydrophobicContact CB-CB 4.29Å; F331-V341 HydrophobicContact CD2-CB 4.42Å; F331-V341 WeakPolarHBondContact CD2-O 3.49Å; F331-V341 PolarHBondContact N-O 3.38Å; F331-V341 PolarHBondContact O-N 3Å; F331-V341 VanDerWaalsContact O-N 3.13Å; F331-L343 HydrophobicContact CE2-CB 4.12Å
332	E	95.8	Very high	95.8	Very high	90 Å²	90	45.1 Å²	45.1	42%	0.421	27%	0.271	S	S	.	.			trans	-58.4	140.9	176.5	-82.8	175.4	-176.3	0	0	111.5	W225 S227 Y296	W225-E332 PolarHBondContact NE1-O 2.76Å; S227-E332 WeakPolarHBondContact OG-CG 3.27Å; S227-E332 PolarHBondContact OG-N 2.95Å; Y296-E332 PolarHBondContact OH-OE2 3.15Å
333	S	96.2	Very high	95.8	Very high	26 Å²	26	45.2 Å²	45.2	18%	0.182	27%	0.271	C	S	.	.			trans	-72.3	145.4	174.6	-175.7	0	0	0	0	111	N116 E335	N116-S333 WeakPolarHBondContact OD1-CA 3.47Å; N116-S333 PolarHBondContact OD1-OG 3.22Å; N116-S333 VanDerWaalsContact OD1-OG 3.12Å; S333-E335 PolarHBondContact O-N 3.45Å; S333-E335 PolarHBondContact OG-N 3.4Å
334	L	94.8	Very high	95.8	Very high	40 Å²	40	46.9 Å²	46.9	21%	0.209	28%	0.28	C	S	.	.	S	Bend	trans	-69.4	-19.7	171.3	-57.6	-174	0	0	0	112.6	N116 S119 L120 I191 V223 W225	N116-L334 HydrophobicContact CB-CD1 4.09Å; N116-L334 HydrophobicContact CB-CG 4.09Å; N116-L334 PolarHBondContact OD1-N 2.95Å; S119-L334 VanDerWaalsContact CB-CB 3.49Å; L120-L334 HydrophobicContact CD2-CD1 3.86Å; L120-L334 HydrophobicContact CG-CD1 3.9Å; I191-L334 HydrophobicContact CD1-CD1 3.98Å; I191-L334 HydrophobicContact CD1-CD2 3.48Å; I191-L334 VanDerWaalsContact CD1-CD2 3.48Å; I191-L334 HydrophobicContact CD1-CG 4.4Å; V223-L334 HydrophobicContact CB-CD2 3.83Å; V223-L334 HydrophobicContact CG1-CD2 3.81Å; V223-L334 HydrophobicContact CG2-CD2 3.62Å; W225-L334 HydrophobicContact CH2-CD1 3.89Å; W225-L334 HydrophobicContact CH2-CD2 4.06Å; W225-L334 HydrophobicContact CH2-CG 3.87Å; W225-L334 HydrophobicContact CZ2-CD1 4.24Å; W225-L334 HydrophobicContact CZ2-CD2 3.66Å; W225-L334 HydrophobicContact CZ2-CG 3.69Å
335	E	92.1	Very high	95.7	Very high	102 Å²	102	47 Å²	47	48%	0.477	28%	0.281	S	S	.	.	S	Bend	trans	-91	130.8	174.9	-64.1	-176.7	-172.3	0	0	109.8	S119 S333 G337 G338	S119-E335 VanDerWaalsContact OG-CG 3.24Å; S119-E335 WeakPolarHBondContact OG-CG 3.47Å; S119-E335 PolarHBondContact OG-OE1 2.89Å; S333-E335 PolarHBondContact O-N 3.45Å; S333-E335 PolarHBondContact OG-N 3.4Å; E335-G337 PolarHBondContact O-N 2.77Å; E335-G337 VanDerWaalsContact O-N 3.14Å; E335-G338 PolarHBondContact O-N 2.96Å
336	M	86.6	Confident	95.7	Very high	202 Å²	202	47.1 Å²	47.1	100%	0.995	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	121.4	175.6	-89.9	-161	-70.8	0	0	110.9	G338	M336-G338 VanDerWaalsContact C-N 3.27Å
337	G	85.1	Confident	95.7	Very high	86 Å²	86	47.4 Å²	47.4	89%	0.887	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	6.7	-177.4	0	0	0	0	0	114.5	E335	E335-G337 PolarHBondContact O-N 2.77Å; E335-G337 VanDerWaalsContact O-N 3.14Å
338	G	89.8	Confident	95.6	Very high	28 Å²	28	53.5 Å²	53.5	29%	0.289	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.5	155.8	171.1	0	0	0	0	0	112.2	E335 M336 T340	E335-G338 PolarHBondContact O-N 2.96Å; M336-G338 VanDerWaalsContact C-N 3.27Å; G338-T340 PolarHBondContact O-N 2.98Å
339	A	91.1	Very high	95.5	Very high	85 Å²	85	54.7 Å²	54.7	70%	0.702	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-67.9	131.6	-179.1	0	0	0	0	0	111
340	T	94.7	Very high	95.4	Very high	74 Å²	74	60.7 Å²	60.7	45%	0.454	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-74.3	138.4	171	-59.4	0	0	0	0	109.2	L330 F331 G338	L330-T340 HydrophobicContact CB-CG2 3.77Å; L330-T340 HydrophobicContact CD2-CG2 4.18Å; L330-T340 HydrophobicContact CG-CG2 4.38Å; F331-T340 WeakPolarHBondContact O-CA 3.19Å; F331-T340 WeakPolarHBondContact O-CG2 3.48Å; G338-T340 PolarHBondContact O-N 2.98Å
341	V	98.2	Very high	95.2	Very high	22 Å²	22	62.1 Å²	62.1	13%	0.133	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	143.3	171.1	-177.1	0	0	0	0	108.4	T108 Q111 V112 L330 F331	T108-V341 HydrophobicContact CG2-CG1 3.79Å; Q111-V341 HydrophobicContact CG-CG2 4.5Å; V112-V341 HydrophobicContact CG2-CB 3.85Å; V112-V341 HydrophobicContact CG2-CG1 3.89Å; V112-V341 HydrophobicContact CG2-CG2 4.26Å; L330-V341 WeakPolarHBondContact CA-O 3.09Å; F331-V341 HydrophobicContact CB-CB 4.29Å; F331-V341 HydrophobicContact CD2-CB 4.42Å; F331-V341 WeakPolarHBondContact CD2-O 3.49Å; F331-V341 PolarHBondContact N-O 3.38Å; F331-V341 PolarHBondContact O-N 3Å; F331-V341 VanDerWaalsContact O-N 3.13Å
342	E	98.4	Very high	95.2	Very high	102 Å²	102	62.4 Å²	62.4	48%	0.477	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.4	-179.2	179.6	178.7	104.6	0	0	110.4	T328 L330 N344	T328-E342 HydrophobicContact CG2-CG 3.42Å; T328-E342 VanDerWaalsContact CG2-CG 3.42Å; L330-E342 HydrophobicContact CD2-CB 3.77Å; L330-E342 HydrophobicContact CD2-CG 3.77Å; E342-N344 HydrophobicContact CG-CB 4.22Å; E342-N344 WeakPolarHBondContact OE1-CB 3.35Å; E342-N344 PolarHBondContact OE1-ND2 3.18Å; E342-N344 VanDerWaalsContact OE1-ND2 3.16Å
343	L	98.8	Very high	95.3	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.8	160.6	174.5	62.1	0	0	0	108.1	T108 Y109 M197 T328 V329 F331 T352 W354	T108-L343 HydrophobicContact CG2-CB 3.75Å; Y109-L343 HydrophobicContact CE2-CD2 4.37Å; M197-L343 HydrophobicContact CE-CD2 4.05Å; T328-L343 CarbonylContact C-O 3.59Å; T328-L343 VanDerWaalsContact CA-O 3.31Å; T328-L343 WeakPolarHBondContact CA-O 3.39Å; V329-L343 HydrophobicContact CG2-CB 3.76Å; V329-L343 HydrophobicContact CG2-CD2 4.19Å; V329-L343 HydrophobicContact CG2-CG 4.37Å; V329-L343 PolarHBondContact N-O 3.04Å; V329-L343 PolarHBondContact O-N 2.71Å; F331-L343 HydrophobicContact CE2-CB 4.12Å; L343-T352 HydrophobicContact CD1-CG2 4.44Å; L343-W354 HydrophobicContact CD2-CH2 4.39Å; L343-W354 HydrophobicContact CD2-CZ3 4.14Å
344	N	98.6	Very high	95.4	Very high	36 Å²	36	59.4 Å²	59.4	19%	0.193	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.5	-177.5	-166.1	-35.3	0	0	0	109.7	T328 E342 G346 S349	T328-N344 HydrophobicContact CG2-CB 4.23Å; T328-N344 VanDerWaalsContact OG1-CG 3.28Å; T328-N344 PolarHBondContact OG1-ND2 2.86Å; T328-N344 PolarHBondContact OG1-OD1 2.83Å; E342-N344 HydrophobicContact CG-CB 4.22Å; E342-N344 WeakPolarHBondContact OE1-CB 3.35Å; E342-N344 PolarHBondContact OE1-ND2 3.18Å; E342-N344 VanDerWaalsContact OE1-ND2 3.16Å; N344-G346 WeakPolarHBondContact OD1-CA 3.42Å; N344-G346 PolarHBondContact OD1-N 3.05Å; N344-S349 WeakPolarHBondContact O-CB 3.26Å
345	T	98.8	Very high	95.6	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	36%	0.359	C	S	.	.			trans	-99.5	16.9	179	76.9	0	0	0	0	112.4	W326 F327 T352 W354 Q356	W326-T345 WeakPolarHBondContact CB-OG1 3.36Å; F327-T345 HydrophobicContact CD1-CG2 4.5Å; F327-T345 HydrophobicContact CD2-CG2 4.08Å; F327-T345 HydrophobicContact CE1-CG2 4.11Å; F327-T345 HydrophobicContact CE2-CG2 3.65Å; F327-T345 HydrophobicContact CG-CG2 4.49Å; F327-T345 HydrophobicContact CZ-CG2 3.67Å; F327-T345 PolarHBondContact N-OG1 3.06Å; F327-T345 VanDerWaalsContact N-OG1 3.15Å; F327-T345 PolarHBondContact O-N 3.43Å; F327-T345 PolarHBondContact O-OG1 2.69Å; T345-T352 HydrophobicContact CG2-CG2 4.06Å; T345-W354 HydrophobicContact CG2-CE3 3.9Å; T345-W354 HydrophobicContact CG2-CZ3 4.49Å; T345-Q356 PolarHBondContact O-NE2 2.84Å
346	G	98.4	Very high	95.9	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.031	34%	0.337	C	S	.	.	S	Bend	trans	-78.4	170.7	179.5	0	0	0	0	0	114.3	N344 N348 S349	N344-G346 WeakPolarHBondContact OD1-CA 3.42Å; N344-G346 PolarHBondContact OD1-N 3.05Å; G346-N348 VanDerWaalsContact C-N 3.25Å; G346-N348 PolarHBondContact O-N 3.08Å; G346-S349 PolarHBondContact O-N 2.95Å
347	P	97.8	Very high	96.5	Very high	19 Å²	19	46.3 Å²	46.3	12%	0.123	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.8	-174.2	24.7	-32.9	0	0	0	115.2	I278 P280 W326 S349	I278-P347 HydrophobicContact CG2-CB 3.66Å; I278-P347 HydrophobicContact CG2-CG 3.95Å; P280-P347 HydrophobicContact CG-CB 4.06Å; P280-P347 WeakPolarHBondContact CG-O 3.49Å; W326-P347 HydrophobicContact CH2-CG 4.14Å; W326-P347 HydrophobicContact CZ2-CG 4.47Å; W326-P347 HydrophobicContact CZ3-CG 4.39Å; P347-S349 VanDerWaalsContact C-N 3.29Å
348	N	97	Very high	97.1	Very high	132 Å²	132	42.2 Å²	42.2	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	8.1	177.9	-63.3	-50.7	0	0	0	112.8	P280 G346	P280-N348 WeakPolarHBondContact CG-OD1 3.43Å; G346-N348 VanDerWaalsContact C-N 3.25Å; G346-N348 PolarHBondContact O-N 3.08Å
349	S	96.9	Very high	97.5	Very high	42 Å²	42	40.9 Å²	40.9	29%	0.294	24%	0.235	S	C	.	.	S	Bend	trans	-119.9	162.9	-179.3	-58.7	0	0	0	0	110.6	N344 G346 P347	N344-S349 WeakPolarHBondContact O-CB 3.26Å; G346-S349 PolarHBondContact O-N 2.95Å; P347-S349 VanDerWaalsContact C-N 3.29Å
350	D	96.6	Very high	97.9	Very high	127 Å²	127	37 Å²	37	68%	0.679	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-58.2	131.2	175.7	-77.5	-21.1	0	0	0	110.2	T352	D350-T352 PolarHBondContact O-N 2.91Å
351	P	95.7	Very high	98.1	Very high	85 Å²	85	33.8 Å²	33.8	55%	0.552	18%	0.183	S	C	*	.	P	Polyproline II helix	trans	-57.9	134.5	-176.9	-26.5	34.1	0	0	0	112.9	L277	L277-P351 HydrophobicContact CD1-CB 4.21Å; L277-P351 HydrophobicContact CD1-CG 4.23Å
352	T	98.5	Very high	97.9	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.043	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-101.5	170.3	172.4	63	0	0	0	0	110.5	D102 L343 T345 D350 W354 K355	D102-T352 VanDerWaalsContact OD2-CA 3.29Å; D102-T352 WeakPolarHBondContact OD2-CA 3.49Å; D102-T352 WeakPolarHBondContact OD2-CB 3.4Å; L343-T352 HydrophobicContact CD1-CG2 4.44Å; T345-T352 HydrophobicContact CG2-CG2 4.06Å; D350-T352 PolarHBondContact O-N 2.91Å; T352-W354 VanDerWaalsContact C-N 3.27Å; T352-W354 HydrophobicContact CG2-CE3 4.26Å; T352-W354 PolarHBondContact O-N 3.04Å; T352-K355 WeakPolarHBondContact O-CG 3.15Å; T352-K355 PolarHBondContact O-N 2.78Å; T352-K355 VanDerWaalsContact O-N 3.14Å
353	H	97.3	Very high	97.6	Very high	36 Å²	36	41 Å²	41	17%	0.167	21%	0.209	C	C	.	.	S	Bend	trans	-64.6	-32.3	176.2	75.1	-77	0	0	0	112.5	E98 D102 K355	E98-H353 HydrophobicContact CG-CB 3.64Å; D102-H353 HydrophobicContact CB-CB 4.27Å; D102-H353 IonicContact OD2-CE1 3.44Å; D102-H353 IonicContact OD2-CG 3.18Å; D102-H353 PolarHBondContact OD2-N 2.69Å; D102-H353 IonicContact OD2-ND1 3.81Å; D102-H353 PolarHBondContact OD2-ND1 2.8Å; H353-K355 PolarHBondContact O-N 3.36Å
354	W	98.3	Very high	97.5	Very high	16 Å²	16	43 Å²	43	6%	0.061	22%	0.221	C	C	.	.	S	Bend	trans	-58.7	-37.3	172.3	-65	-76	0	0	0	112.2	R105 E195 M197 F327 L343 T345 T352 Q356	R105-W354 HydrophobicContact CB-CH2 4.39Å; R105-W354 HydrophobicContact CB-CZ3 4.01Å; R105-W354 HydrophobicContact CG-CH2 3.81Å; R105-W354 HydrophobicContact CG-CZ3 3.95Å; E195-W354 HydrophobicContact CG-CH2 4.39Å; E195-W354 WeakPolarHBondContact OE1-CH2 3.45Å; E195-W354 WeakPolarHBondContact OE1-CZ2 3.28Å; M197-W354 HydrophobicContact CB-CZ2 4.38Å; M197-W354 HydrophobicContact CE-CH2 4.24Å; M197-W354 PolarHBondContact O-NE1 3.31Å; F327-W354 HydrophobicContact CE1-CB 4.42Å; F327-W354 HydrophobicContact CE1-CD2 4.08Å; F327-W354 AromaticContact CE1-CG 3.95Å; F327-W354 HydrophobicContact CE1-CG 3.95Å; F327-W354 AromaticContact CZ-CD2 3.63Å; F327-W354 HydrophobicContact CZ-CD2 3.63Å; F327-W354 AromaticContact CZ-CE2 3.74Å; F327-W354 AromaticContact CZ-CE3 3.89Å; F327-W354 HydrophobicContact CZ-CE3 3.89Å; F327-W354 HydrophobicContact CZ-CG 4.02Å; F327-W354 HydrophobicContact CZ-CH2 4.36Å; F327-W354 HydrophobicContact CZ-CZ2 4.12Å; F327-W354 HydrophobicContact CZ-CZ3 4.25Å; L343-W354 HydrophobicContact CD2-CH2 4.39Å; L343-W354 HydrophobicContact CD2-CZ3 4.14Å; T345-W354 HydrophobicContact CG2-CE3 3.9Å; T345-W354 HydrophobicContact CG2-CZ3 4.49Å; T352-W354 VanDerWaalsContact C-N 3.27Å; T352-W354 HydrophobicContact CG2-CE3 4.26Å; T352-W354 PolarHBondContact O-N 3.04Å; W354-Q356 PolarHBondContact O-N 3.25Å
355	K	98.2	Very high	97.4	Very high	61 Å²	61	42.3 Å²	42.3	27%	0.265	22%	0.218	S	C	.	.			trans	50.9	-134.8	-165.8	-44.3	-177.9	-167.6	64.5	0	109.2	S275 H276 L277 T352 H353	S275-K355 WeakPolarHBondContact O-CD 3.31Å; S275-K355 PolarHBondContact OG-NZ 3.29Å; H276-K355 VanDerWaalsContact O-CB 3.28Å; H276-K355 WeakPolarHBondContact O-CB 3.4Å; L277-K355 HydrophobicContact CB-CD 4.49Å; T352-K355 WeakPolarHBondContact O-CG 3.15Å; T352-K355 PolarHBondContact O-N 2.78Å; T352-K355 VanDerWaalsContact O-N 3.14Å; H353-K355 PolarHBondContact O-N 3.36Å
356	Q	98.7	Very high	97.3	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.019	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	167.1	174.3	-56.9	80.1	40.8	0	0	111	H276 I278 T324 W326 T345 W354	H276-Q356 PolarHBondContact N-O 2.96Å; H276-Q356 WeakPolarHBondContact O-CA 3.28Å; H276-Q356 WeakPolarHBondContact O-CB 3.06Å; H276-Q356 PolarHBondContact O-N 2.77Å; H276-Q356 PolarHBondContact O-OE1 2.98Å; I278-Q356 HydrophobicContact CG2-CB 4.32Å; I278-Q356 HydrophobicContact CG2-CG 3.91Å; I278-Q356 VanDerWaalsContact N-OE1 3.1Å; T324-Q356 HydrophobicContact CG2-CB 3.47Å; T324-Q356 VanDerWaalsContact CG2-CB 3.47Å; T324-Q356 HydrophobicContact CG2-CG 4.2Å; W326-Q356 HydrophobicContact CB-CB 4.43Å; W326-Q356 HydrophobicContact CB-CG 3.87Å; W326-Q356 HydrophobicContact CE3-CG 4.25Å; W326-Q356 HydrophobicContact CG-CG 4.49Å; T345-Q356 PolarHBondContact O-NE2 2.84Å; W354-Q356 PolarHBondContact O-N 3.25Å
357	T	98.8	Very high	97.2	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.025	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.8	178.1	-57.7	0	0	0	0	110.3	C200 P272 F274 T324 A325 F359	C200-T357 WeakPolarHBondContact SG-CB 3.48Å; C200-T357 VanDerWaalsContact SG-CG2 3.59Å; P272-T357 HydrophobicContact CB-CG2 3.61Å; P272-T357 HydrophobicContact CG-CG2 4.41Å; F274-T357 HydrophobicContact CD1-CG2 3.91Å; F274-T357 HydrophobicContact CE1-CG2 4.13Å; T324-T357 CarbonylContact C-O 3.41Å; T324-T357 WeakPolarHBondContact CA-O 3.33Å; A325-T357 PolarHBondContact N-O 3.28Å; A325-T357 PolarHBondContact O-N 2.84Å; T357-F359 HydrophobicContact CG2-CE1 4.35Å; T357-F359 HydrophobicContact CG2-CE2 3.87Å; T357-F359 HydrophobicContact CG2-CZ 3.76Å
358	L	98.8	Very high	97.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.9	-179.1	171.5	67.2	0	0	0	111.7	A238 Y241 P272 K273 H276 M360	A238-L358 HydrophobicContact CB-CD1 4.23Å; A238-L358 HydrophobicContact CB-CD2 3.94Å; Y241-L358 HydrophobicContact CD1-CD2 3.78Å; Y241-L358 HydrophobicContact CE1-CD2 4.42Å; Y241-L358 HydrophobicContact CG-CD2 4.45Å; P272-L358 CarbonylContact C-O 3.47Å; P272-L358 WeakPolarHBondContact CA-O 3.41Å; K273-L358 HydrophobicContact CB-CB 4.21Å; K273-L358 HydrophobicContact CD-CD2 4.25Å; K273-L358 PolarHBondContact N-O 2.9Å; K273-L358 PolarHBondContact O-N 3.26Å; H276-L358 HydrophobicContact CB-CB 3.78Å; L358-M360 HydrophobicContact CD1-SD 4.07Å; L358-M360 HydrophobicContact CD2-CG 4.14Å; L358-M360 HydrophobicContact CD2-SD 3.72Å; L358-M360 HydrophobicContact CG-CG 4.13Å; L358-M360 HydrophobicContact CG-SD 3.98Å
359	F	98.8	Very high	97.2	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	98.4	176.6	-59.8	-84.5	0	0	0	109.6	C200 P272 G322 F323 A325 T357 V391 L393 F411 M413	C200-F359 VanDerWaalsContact SG-CZ 3.57Å; P272-F359 HydrophobicContact CB-CD1 3.77Å; P272-F359 HydrophobicContact CB-CE1 3.62Å; P272-F359 HydrophobicContact CB-CZ 4.3Å; P272-F359 HydrophobicContact CG-CD1 4.44Å; P272-F359 HydrophobicContact CG-CE1 3.98Å; G322-F359 CarbonylContact C-O 3.5Å; G322-F359 WeakPolarHBondContact CA-O 2.93Å; F323-F359 HydrophobicContact CB-CB 4.49Å; F323-F359 PolarHBondContact N-O 2.88Å; F323-F359 PolarHBondContact O-N 3Å; A325-F359 HydrophobicContact CB-CE2 3.76Å; T357-F359 HydrophobicContact CG2-CE1 4.35Å; T357-F359 HydrophobicContact CG2-CE2 3.87Å; T357-F359 HydrophobicContact CG2-CZ 3.76Å; F359-V391 HydrophobicContact CE1-CB 3.83Å; F359-V391 HydrophobicContact CE1-CG1 3.85Å; F359-V391 HydrophobicContact CE1-CG2 4.1Å; F359-V391 HydrophobicContact CZ-CB 4.23Å; F359-V391 HydrophobicContact CZ-CG1 3.99Å; F359-V391 HydrophobicContact CZ-CG2 4.15Å; F359-L393 HydrophobicContact CB-CD1 3.81Å; F359-L393 HydrophobicContact CD1-CD1 4.37Å; F359-L393 HydrophobicContact CD2-CD1 4.4Å; F359-L393 HydrophobicContact CG-CD1 3.96Å; F359-F411 HydrophobicContact CB-CD2 4.39Å; F359-F411 HydrophobicContact CB-CE1 4.15Å; F359-F411 HydrophobicContact CB-CE2 3.96Å; F359-F411 HydrophobicContact CB-CZ 3.81Å; F359-F411 HydrophobicContact CD1-CB 3.85Å; F359-F411 AromaticContact CD1-CD1 3.96Å; F359-F411 HydrophobicContact CD1-CD1 3.96Å; F359-F411 AromaticContact CD1-CD2 3.62Å; F359-F411 HydrophobicContact CD1-CD2 3.62Å; F359-F411 HydrophobicContact CD1-CE1 4.35Å; F359-F411 HydrophobicContact CD1-CE2 4.07Å; F359-F411 AromaticContact CD1-CG 3.54Å; F359-F411 HydrophobicContact CD1-CG 3.54Å; F359-F411 HydrophobicContact CD1-CZ 4.39Å; F359-F411 HydrophobicContact CE1-CB 4Å; F359-F411 HydrophobicContact CE1-CD2 4.38Å; F359-F411 HydrophobicContact CE1-CG 4.2Å; F359-F411 HydrophobicContact CG-CD2 4.42Å; F359-F411 HydrophobicContact CG-CE2 4.46Å; F359-M413 HydrophobicContact CE1-SD 4.37Å
360	M	98.6	Very high	97.1	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.6	-177.9	-69.9	-64.8	-72	0	0	111.9	A238 Y241 Y242 F269 H321 L358 K409 F411	A238-M360 HydrophobicContact CB-CE 4.5Å; A238-M360 HydrophobicContact CB-SD 3.86Å; Y241-M360 HydrophobicContact CD1-CE 4.4Å; Y241-M360 HydrophobicContact CD1-CG 3.99Å; Y241-M360 HydrophobicContact CD1-SD 4.04Å; Y241-M360 HydrophobicContact CE1-CG 3.9Å; Y242-M360 HydrophobicContact CD2-CE 3.93Å; F269-M360 HydrophobicContact CB-CB 3.99Å; F269-M360 HydrophobicContact CD1-CB 3.64Å; F269-M360 HydrophobicContact CD1-CE 4.39Å; F269-M360 HydrophobicContact CD1-CG 3.74Å; F269-M360 HydrophobicContact CD2-CB 4.27Å; F269-M360 HydrophobicContact CE1-CB 4.2Å; F269-M360 HydrophobicContact CE1-CE 3.77Å; F269-M360 HydrophobicContact CE1-CG 3.95Å; F269-M360 HydrophobicContact CE2-CE 4.18Å; F269-M360 HydrophobicContact CG-CB 3.72Å; F269-M360 HydrophobicContact CG-CG 4.34Å; F269-M360 HydrophobicContact CZ-CE 3.66Å; H321-M360 HydrophobicContact CB-CE 4.24Å; H321-M360 HydrophobicContact CB-SD 4.34Å; L358-M360 HydrophobicContact CD1-SD 4.07Å; L358-M360 HydrophobicContact CD2-CG 4.14Å; L358-M360 HydrophobicContact CD2-SD 3.72Å; L358-M360 HydrophobicContact CG-CG 4.13Å; L358-M360 HydrophobicContact CG-SD 3.98Å; M360-K409 PolarHBondContact O-NZ 3.49Å; M360-F411 WeakPolarHBondContact O-CE1 3.19Å; M360-F411 WeakPolarHBondContact O-CZ 3.2Å
361	L	98.2	Very high	97.1	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	156.8	163.7	-78.3	74.2	0	0	0	109.5	F320 H321 R363 I365 W395	F320-L361 HydrophobicContact CD1-CD2 4.03Å; F320-L361 HydrophobicContact CE1-CD1 4.13Å; F320-L361 HydrophobicContact CE1-CD2 3.73Å; F320-L361 HydrophobicContact CE2-CD1 4.09Å; F320-L361 HydrophobicContact CZ-CD1 3.8Å; F320-L361 HydrophobicContact CZ-CD2 4.24Å; H321-L361 WeakPolarHBondContact O-CB 3.45Å; H321-L361 WeakPolarHBondContact O-CD1 3.45Å; H321-L361 PolarHBondContact O-N 2.79Å; L361-R363 VanDerWaalsContact C-N 3.29Å; L361-I365 HydrophobicContact CD2-CD1 3.75Å; L361-I365 HydrophobicContact CD2-CG1 4.31Å; L361-W395 HydrophobicContact CD2-CH2 4.35Å; L361-W395 HydrophobicContact CD2-CZ2 3.52Å; L361-W395 HydrophobicContact CG-CH2 4.05Å; L361-W395 HydrophobicContact CG-CZ2 3.72Å
362	D	94.9	Very high	97.2	Very high	75 Å²	75	39.6 Å²	39.6	40%	0.401	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-36.5	173.1	-73.5	-14.7	0	0	0	111.8	Q265 K409	Q265-D362 PolarHBondContact NE2-O 2.79Å; D362-K409 WeakPolarHBondContact OD1-CE 3.4Å; D362-K409 IonicContact OD1-NZ 2.77Å; D362-K409 PolarHBondContact OD1-NZ 3.5Å
363	R	92.9	Very high	97.1	Very high	201 Å²	201	39.3 Å²	39.3	76%	0.758	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.7	179.5	-65.2	-175.3	-179.3	176.4	1.5	109.3	L361	L361-R363 VanDerWaalsContact C-N 3.29Å
364	P	96.1	Very high	97.2	Very high	41 Å²	41	40.5 Å²	40.5	27%	0.266	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	148.2	174.5	-16.9	29.3	0	0	0	111.5	Y242 I319 F320	Y242-P364 HydrophobicContact CD2-CG 3.86Å; Y242-P364 HydrophobicContact CE1-CG 4.39Å; Y242-P364 HydrophobicContact CE2-CG 3.39Å; I319-P364 HydrophobicContact CG2-CB 3.34Å; I319-P364 HydrophobicContact CG2-CG 4.49Å; F320-P364 WeakPolarHBondContact O-CA 3.35Å
365	I	96.8	Very high	97.2	Very high	22 Å²	22	40.4 Å²	40.4	11%	0.113	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.1	-177.7	-57.7	168.8	0	0	0	109	F320 L361 V367 I397	F320-I365 HydrophobicContact CB-CB 4.49Å; F320-I365 WeakPolarHBondContact CB-O 3.32Å; F320-I365 HydrophobicContact CD1-CB 4.39Å; F320-I365 HydrophobicContact CD1-CD1 4.42Å; F320-I365 PolarHBondContact N-O 3.09Å; F320-I365 PolarHBondContact O-N 2.99Å; L361-I365 HydrophobicContact CD2-CD1 3.75Å; L361-I365 HydrophobicContact CD2-CG1 4.31Å; I365-V367 HydrophobicContact CG2-CG1 4.37Å; I365-V367 PolarHBondContact O-N 3.2Å; I365-I397 HydrophobicContact CB-CD1 4.25Å; I365-I397 HydrophobicContact CD1-CD1 3.62Å; I365-I397 HydrophobicContact CG2-CD1 3.79Å
366	Q	96.7	Very high	97.2	Very high	91 Å²	91	39.3 Å²	39.3	43%	0.425	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.6	170.6	179.3	68.7	63.2	0	0	109.2	G318 I319 Y368	G318-Q366 PolarHBondContact O-NE2 3.16Å; I319-Q366 HydrophobicContact CD1-CB 4.28Å; Q366-Y368 HydrophobicContact CG-CE1 4.42Å; Q366-Y368 HydrophobicContact CG-CE2 3.98Å
367	V	96.8	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157.4	174.1	-63.5	0	0	0	0	110.8	L284 V314 P317 G318 F320 I365 D371 I397	L284-V367 HydrophobicContact CD1-CG2 4.02Å; L284-V367 HydrophobicContact CD2-CG2 4.3Å; V314-V367 HydrophobicContact CG1-CB 4.42Å; V314-V367 HydrophobicContact CG1-CG2 4.01Å; V314-V367 HydrophobicContact CG2-CB 4.34Å; V314-V367 HydrophobicContact CG2-CG2 4.33Å; P317-V367 WeakPolarHBondContact CA-O 3.38Å; G318-V367 PolarHBondContact N-O 2.94Å; G318-V367 VanDerWaalsContact N-O 3.08Å; G318-V367 WeakPolarHBondContact O-CG2 3.23Å; G318-V367 PolarHBondContact O-N 3.08Å; F320-V367 HydrophobicContact CB-CG1 3.92Å; F320-V367 HydrophobicContact CB-CG2 4.15Å; I365-V367 HydrophobicContact CG2-CG1 4.37Å; I365-V367 PolarHBondContact O-N 3.2Å; V367-D371 WeakPolarHBondContact CA-OD2 3.41Å; V367-I397 HydrophobicContact CG1-CD1 4.48Å; V367-I397 HydrophobicContact CG1-CG2 4.45Å
368	Y	96.1	Very high	97.2	Very high	140 Å²	140	39.6 Å²	39.6	55%	0.549	21%	0.206	S	C	.	.			trans	-123.8	158.4	-179.8	-60.1	-81.6	0	0	0	111	V314 P317 Q366 G370 D371	V314-Y368 WeakPolarHBondContact CB-O 3.42Å; V314-Y368 VanDerWaalsContact CG1-O 3.28Å; V314-Y368 WeakPolarHBondContact CG1-O 3.4Å; P317-Y368 HydrophobicContact CB-CD1 4.29Å; Q366-Y368 HydrophobicContact CG-CE1 4.42Å; Q366-Y368 HydrophobicContact CG-CE2 3.98Å; Y368-G370 PolarHBondContact O-N 3.39Å; Y368-D371 PolarHBondContact N-OD2 3Å; Y368-D371 WeakPolarHBondContact O-CB 3.3Å; Y368-D371 PolarHBondContact O-N 3.13Å; Y368-D371 VanDerWaalsContact O-N 3.07Å
369	A	96.8	Very high	97.2	Very high	54 Å²	54	39.9 Å²	39.9	45%	0.446	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	130.2	173.8	0	0	0	0	0	110.7	V314	V314-A369 CarbonylContact O-C 3.52Å; V314-A369 WeakPolarHBondContact O-CA 3.21Å
370	G	96.1	Very high	97.2	Very high	36 Å²	36	45.4 Å²	45.4	37%	0.371	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-7.6	-175.7	0	0	0	0	0	115.2	V314 Y368	V314-G370 PolarHBondContact O-N 3.43Å; Y368-G370 PolarHBondContact O-N 3.39Å
371	D	96.5	Very high	97.2	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.048	23%	0.228	C	C	.	.			trans	-64.8	145.2	169.4	-69.8	-15.9	0	0	0	110	V314 V367 Y368 S399	V314-D371 HydrophobicContact CB-CB 4.31Å; V314-D371 HydrophobicContact CG2-CB 4.13Å; V314-D371 WeakPolarHBondContact CG2-O 3.43Å; V314-D371 PolarHBondContact N-O 3.16Å; V367-D371 WeakPolarHBondContact CA-OD2 3.41Å; Y368-D371 PolarHBondContact N-OD2 3Å; Y368-D371 WeakPolarHBondContact O-CB 3.3Å; Y368-D371 PolarHBondContact O-N 3.13Å; Y368-D371 VanDerWaalsContact O-N 3.07Å; D371-S399 WeakPolarHBondContact OD1-CA 3.47Å
372	S	96.8	Very high	97.1	Very high	24 Å²	24	45.8 Å²	45.8	17%	0.168	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.3	177.6	-171.2	0	0	0	0	111.2	F312 I397 N398	F312-S372 VanDerWaalsContact O-CA 3.32Å; F312-S372 WeakPolarHBondContact O-CA 3.34Å; F312-S372 PolarHBondContact O-OG 3.48Å; S372-I397 CarbonylContact O-C 3.54Å; S372-I397 WeakPolarHBondContact O-CA 3.41Å; S372-N398 PolarHBondContact N-O 3.25Å; S372-N398 PolarHBondContact O-N 2.63Å
373	I	98	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114	174.2	-51.3	176.2	0	0	0	107.6	P235 F310 F312 V314 F320 F323 W395 T396 I397	P235-I373 HydrophobicContact CB-CD1 3.95Å; P235-I373 HydrophobicContact CG-CD1 4.25Å; F310-I373 HydrophobicContact CE2-CG2 4.38Å; F312-I373 HydrophobicContact CB-CB 4.27Å; F312-I373 PolarHBondContact N-O 2.91Å; F312-I373 PolarHBondContact O-N 2.65Å; V314-I373 HydrophobicContact CG2-CD1 3.88Å; V314-I373 HydrophobicContact CG2-CG1 4.09Å; F320-I373 HydrophobicContact CD1-CD1 4.11Å; F320-I373 HydrophobicContact CD2-CD1 4.49Å; F320-I373 HydrophobicContact CE1-CD1 4.2Å; F320-I373 HydrophobicContact CE1-CG2 4.48Å; F320-I373 HydrophobicContact CG-CD1 4.27Å; F320-I373 HydrophobicContact CZ-CD1 4.43Å; F323-I373 HydrophobicContact CE1-CG2 4.42Å; F323-I373 HydrophobicContact CZ-CG2 4.26Å; I373-W395 HydrophobicContact CG2-CB 4.29Å; I373-T396 WeakPolarHBondContact CA-O 3.43Å; I373-I397 HydrophobicContact CG1-CG1 4.25Å; I373-I397 HydrophobicContact CG1-CG2 4.36Å; I373-I397 HydrophobicContact CG2-CG1 4.46Å
374	H	97.9	Very high	96.7	Very high	62 Å²	62	37.8 Å²	37.8	29%	0.287	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	158.2	-178.3	65.3	92.4	0	0	0	111.7	F310 Q311 W395 T396 N398	F310-H374 VanDerWaalsContact O-CA 3.28Å; F310-H374 WeakPolarHBondContact O-CA 3.34Å; Q311-H374 HydrophobicContact CB-CB 4.23Å; Q311-H374 HydrophobicContact CG-CB 4.16Å; H374-W395 CarbonylContact O-C 3.48Å; H374-W395 WeakPolarHBondContact O-CA 3.49Å; H374-T396 PolarHBondContact CD2-O 3.39Å; H374-T396 PolarHBondContact N-O 3.49Å; H374-T396 PolarHBondContact O-N 2.92Å; H374-N398 PolarHBondContact NE2-ND2 2.76Å
375	G	98.4	Very high	96.6	Very high	14 Å²	14	37.1 Å²	37.1	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.3	-149.9	-179.8	0	0	0	0	0	111	E309 F310 H394	E309-G375 WeakPolarHBondContact CA-O 3.2Å; F310-G375 PolarHBondContact N-O 2.89Å; F310-G375 PolarHBondContact O-N 3.37Å; G375-H394 CarbonylContact C-O 3.56Å; G375-H394 VanDerWaalsContact CA-O 3.3Å; G375-H394 WeakPolarHBondContact CA-O 3.37Å
376	N	98.7	Very high	96.6	Very high	38 Å²	38	37.9 Å²	37.9	20%	0.203	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.9	-175.9	65.7	34.9	0	0	0	114.3	T307 G308 E309 F310 H394	T307-N376 HydrophobicContact CG2-CB 4.28Å; G308-N376 CarbonylContact O-C 3.5Å; G308-N376 WeakPolarHBondContact O-CA 3.15Å; G308-N376 VanDerWaalsContact O-CB 3.23Å; G308-N376 WeakPolarHBondContact O-CB 3.37Å; E309-N376 WeakPolarHBondContact OE1-CB 3.31Å; E309-N376 PolarHBondContact OE1-ND2 3.05Å; F310-N376 VanDerWaalsContact CE1-C 3.44Å; N376-H394 PolarHBondContact N-O 2.66Å; N376-H394 PolarHBondContact O-N 3.03Å; N376-H394 PolarHBondContact OD1-ND1 3.41Å
377	I	98.8	Very high	96.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.3	169	-171.8	175.7	0	0	0	108.2	L231 L233 V290 T307 G308 L379 V391 A392 L393	L231-I377 HydrophobicContact CD2-CD1 4.26Å; L233-I377 HydrophobicContact CD1-CD1 4.5Å; V290-I377 HydrophobicContact CB-CG2 3.65Å; V290-I377 HydrophobicContact CG1-CG2 4.26Å; V290-I377 HydrophobicContact CG2-CD1 4.45Å; V290-I377 HydrophobicContact CG2-CG2 3.77Å; T307-I377 CarbonylContact C-O 3.52Å; T307-I377 WeakPolarHBondContact CA-O 3.26Å; G308-I377 PolarHBondContact N-O 2.86Å; G308-I377 PolarHBondContact O-N 3.47Å; I377-L379 HydrophobicContact CD1-CD1 3.67Å; I377-L379 HydrophobicContact CG1-CD1 3.66Å; I377-V391 HydrophobicContact CD1-CG1 3.74Å; I377-V391 HydrophobicContact CG1-CG1 3.77Å; I377-A392 CarbonylContact C-O 3.59Å; I377-A392 WeakPolarHBondContact CA-O 3.42Å; I377-L393 HydrophobicContact CB-CD2 3.76Å; I377-L393 HydrophobicContact CD1-CD2 4.03Å; I377-L393 HydrophobicContact CG1-CD2 3.71Å; I377-L393 HydrophobicContact CG1-CG 4.41Å
378	V	98.8	Very high	96.6	Very high	13 Å²	13	35.2 Å²	35.2	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.2	176	-173.1	0	0	0	0	108.5	E305 M306 T307 V391 A392	E305-V378 HydrophobicContact CG-CG1 3.82Å; M306-V378 CarbonylContact O-C 3.53Å; M306-V378 WeakPolarHBondContact O-CA 3.48Å; T307-V378 HydrophobicContact CG2-CG2 4.16Å; V378-V391 CarbonylContact O-C 3.57Å; V378-V391 WeakPolarHBondContact O-CA 3.46Å; V378-A392 HydrophobicContact CB-CB 4.32Å; V378-A392 PolarHBondContact N-O 3.27Å; V378-A392 PolarHBondContact O-N 3.35Å
379	L	98.8	Very high	96.7	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.4	170.8	-83.8	63	0	0	0	107.4	L202 L231 E305 M306 I377 M389 V391	L202-L379 HydrophobicContact CD1-CD2 3.92Å; L231-L379 HydrophobicContact CD2-CD1 4.21Å; L231-L379 HydrophobicContact CD2-CD2 4.06Å; E305-L379 CarbonylContact C-O 3.55Å; E305-L379 VanDerWaalsContact CA-O 3.31Å; E305-L379 WeakPolarHBondContact CA-O 3.48Å; M306-L379 HydrophobicContact CB-CB 4.45Å; M306-L379 PolarHBondContact N-O 2.73Å; M306-L379 PolarHBondContact O-N 3.28Å; I377-L379 HydrophobicContact CD1-CD1 3.67Å; I377-L379 HydrophobicContact CG1-CD1 3.66Å; L379-M389 HydrophobicContact CB-SD 4.44Å; L379-M389 HydrophobicContact CD2-CE 4.16Å; L379-M389 HydrophobicContact CD2-SD 4.04Å; L379-M389 HydrophobicContact CG-SD 4.18Å; L379-V391 HydrophobicContact CD1-CG1 4.26Å; L379-V391 HydrophobicContact CD1-CG2 4.33Å; L379-V391 HydrophobicContact CG-CG2 4.2Å
380	R	98.5	Very high	96.7	Very high	116 Å²	116	27.9 Å²	27.9	44%	0.438	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121	178.2	-174.6	179.2	-63.7	114.8	4.8	110.1	E304 E305 M389 T390	E304-R380 WeakPolarHBondContact O-CA 3.33Å; E305-R380 IonicContact OE2-CZ 3.45Å; E305-R380 IonicContact OE2-NE 3.85Å; E305-R380 PolarHBondContact OE2-NE 3.21Å; E305-R380 IonicContact OE2-NH2 2.85Å; E305-R380 PolarHBondContact OE2-NH2 2.72Å; R380-M389 CarbonylContact O-C 3.33Å; R380-M389 WeakPolarHBondContact O-CA 3.4Å; R380-M389 VanDerWaalsContact O-CB 3.26Å; R380-M389 WeakPolarHBondContact O-CB 3.41Å; R380-T390 PolarHBondContact N-O 2.95Å; R380-T390 PolarHBondContact O-N 3.5Å
381	R	98.3	Very high	96.9	Very high	8 Å²	8	26.2 Å²	26.2	3%	0.03	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	144	175.7	-168.3	173.6	-176.5	-174	9.9	110.7	W81 F205 E208 E304 R386	W81-R381 VanDerWaalsContact CZ2-NH2 3.25Å; F205-R381 HydrophobicContact CD1-CG 4.27Å; F205-R381 HydrophobicContact CD2-CG 4.48Å; F205-R381 HydrophobicContact CE1-CB 4.04Å; F205-R381 HydrophobicContact CE1-CG 3.74Å; F205-R381 HydrophobicContact CE2-CG 3.98Å; F205-R381 HydrophobicContact CZ-CB 3.82Å; F205-R381 HydrophobicContact CZ-CG 3.58Å; E208-R381 IonicContact OE2-CZ 2.75Å; E208-R381 IonicContact OE2-NH1 3.27Å; E208-R381 PolarHBondContact OE2-NH1 3.11Å; E208-R381 IonicContact OE2-NH2 3.1Å; E208-R381 PolarHBondContact OE2-NH2 2.96Å; E304-R381 PolarHBondContact O-N 2.85Å; E304-R381 IonicContact OE1-NH1 3.19Å; E304-R381 PolarHBondContact OE1-NH1 3.37Å; R381-R386 VanDerWaalsContact CZ-NH2 3.33Å; R381-R386 PolarHBondContact NE-O 2.88Å; R381-R386 PolarHBondContact NH2-O 3.35Å
382	N	96.5	Very high	97	Very high	10 Å²	10	26 Å²	26	5%	0.053	13%	0.134	C	C	.	.			trans	-70.1	128	174.9	-174.8	-55	0	0	0	109.6	V384 W385 R386 H388 W414	N382-V384 PolarHBondContact O-N 3.01Å; N382-V384 PolarHBondContact OD1-N 3.1Å; N382-W385 HydrophobicContact CB-CB 4.37Å; N382-W385 WeakPolarHBondContact CB-O 3.38Å; N382-W385 PolarHBondContact OD1-N 3.04Å; N382-R386 PolarHBondContact O-NH1 2.91Å; N382-H388 HydrophobicContact CB-CB 4.07Å; N382-H388 WeakPolarHBondContact CB-O 3.4Å; N382-H388 PolarHBondContact N-O 3.24Å; N382-W414 WeakPolarHBondContact ND2-CH2 3.39Å; N382-W414 VanDerWaalsContact ND2-CZ2 3.3Å; N382-W414 WeakPolarHBondContact ND2-CZ2 3.45Å
383	P	91	Very high	97.1	Very high	75 Å²	75	24.9 Å²	24.9	49%	0.487	13%	0.126	S	C	.	.	S	Bend	trans	-67.5	-23.6	-175	27.3	-35.5	0	0	0	113.7	C19	C19-P383 HydrophobicContact CB-CG 4.43Å
384	V	89.3	Confident	97.1	Very high	33 Å²	33	28.5 Å²	28.5	20%	0.2	14%	0.143	C	C	.	.	S	Bend	trans	-101	-63.2	178.2	-178.7	0	0	0	0	109	P80 N382 R386	P80-V384 WeakPolarHBondContact CB-O 3.39Å; N382-V384 PolarHBondContact O-N 3.01Å; N382-V384 PolarHBondContact OD1-N 3.1Å; V384-R386 VanDerWaalsContact O-CD 3.28Å; V384-R386 WeakPolarHBondContact O-CD 3.26Å; V384-R386 VanDerWaalsContact O-CG 3.26Å; V384-R386 WeakPolarHBondContact O-CG 3.24Å; V384-R386 PolarHBondContact O-N 3.45Å; V384-R386 VanDerWaalsContact O-N 3.09Å
385	W	93.9	Very high	97.1	Very high	27 Å²	27	26.6 Å²	26.6	10%	0.102	13%	0.133	C	C	.	.	S	Bend	trans	-85.1	88.2	-172.3	-56.9	103.6	0	0	0	111.7	S62 E78 P80 Q82 N382 R387 H388 W414	S62-W385 VanDerWaalsContact CB-NE1 3.3Å; E78-W385 HydrophobicContact CB-CH2 3.57Å; E78-W385 HydrophobicContact CB-CZ3 4.03Å; E78-W385 HydrophobicContact CG-CH2 3.99Å; E78-W385 WeakPolarHBondContact OE2-CH2 3.4Å; E78-W385 VanDerWaalsContact OE2-CZ2 3.27Å; E78-W385 WeakPolarHBondContact OE2-CZ2 3.5Å; P80-W385 CarbonylContact O-C 3.49Å; P80-W385 WeakPolarHBondContact O-CA 3.34Å; Q82-W385 HydrophobicContact CG-CE3 3.89Å; Q82-W385 HydrophobicContact CG-CZ3 3.84Å; N382-W385 HydrophobicContact CB-CB 4.37Å; N382-W385 WeakPolarHBondContact CB-O 3.38Å; N382-W385 PolarHBondContact OD1-N 3.04Å; W385-R387 PolarHBondContact O-N 3Å; W385-H388 HydrophobicContact CB-CB 4.28Å; W385-H388 WeakPolarHBondContact O-CB 3.46Å; W385-H388 PolarHBondContact O-N 3.48Å; W385-W414 HydrophobicContact CB-CH2 3.57Å; W385-W414 HydrophobicContact CB-CZ3 3.87Å; W385-W414 AromaticContact CD1-CH2 3.53Å; W385-W414 AromaticContact CG-CH2 3.66Å; W385-W414 HydrophobicContact CG-CH2 3.66Å; W385-W414 AromaticContact CG-CZ3 3.95Å; W385-W414 HydrophobicContact CG-CZ3 3.95Å
386	R	95.7	Very high	97.1	Very high	39 Å²	39	27.8 Å²	27.8	15%	0.147	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.6	-160.3	-57.5	-51	-66.6	163.5	-12.4	115.1	P80 W81 F205 E304 R381 N382 V384	P80-R386 HydrophobicContact CB-CG 4.11Å; P80-R386 PolarHBondContact O-N 2.9Å; W81-R386 HydrophobicContact CD2-CB 3.73Å; W81-R386 HydrophobicContact CE3-CB 4.12Å; W81-R386 HydrophobicContact CG-CB 4.18Å; W81-R386 HydrophobicContact CH2-CB 4.4Å; W81-R386 HydrophobicContact CZ2-CB 3.98Å; W81-R386 HydrophobicContact CZ3-CB 4.44Å; F205-R386 WeakPolarHBondContact CB-O 3.29Å; F205-R386 WeakPolarHBondContact CD2-O 3.38Å; E304-R386 IonicContact OE1-CZ 3.93Å; E304-R386 IonicContact OE1-NH2 2.68Å; E304-R386 PolarHBondContact OE1-NH2 3.45Å; E304-R386 IonicContact OE2-CZ 3.65Å; E304-R386 IonicContact OE2-NH1 2.73Å; E304-R386 PolarHBondContact OE2-NH1 3.33Å; E304-R386 VanDerWaalsContact OE2-NH1 3.08Å; E304-R386 IonicContact OE2-NH2 2.84Å; E304-R386 PolarHBondContact OE2-NH2 3.15Å; R381-R386 VanDerWaalsContact CZ-NH2 3.33Å; R381-R386 PolarHBondContact NE-O 2.88Å; R381-R386 PolarHBondContact NH2-O 3.35Å; N382-R386 PolarHBondContact O-NH1 2.91Å; V384-R386 VanDerWaalsContact O-CD 3.28Å; V384-R386 WeakPolarHBondContact O-CD 3.26Å; V384-R386 VanDerWaalsContact O-CG 3.26Å; V384-R386 WeakPolarHBondContact O-CG 3.24Å; V384-R386 PolarHBondContact O-N 3.45Å; V384-R386 VanDerWaalsContact O-N 3.09Å
387	R	96.3	Very high	97	Very high	15 Å²	15	26.3 Å²	26.3	6%	0.057	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.6	171.5	-65.5	-161.6	-179.2	-79.7	-2.3	114.2	W81 D83 Y86 E204 W385	W81-R387 HydrophobicContact CE3-CG 4Å; W81-R387 WeakPolarHBondContact O-CD 3.41Å; W81-R387 WeakPolarHBondContact O-CG 3.28Å; W81-R387 PolarHBondContact O-NE 3.17Å; D83-R387 IonicContact OD1-CZ 3.94Å; D83-R387 IonicContact OD1-NE 3.24Å; D83-R387 IonicContact OD1-NH2 2.84Å; D83-R387 PolarHBondContact OD1-NH2 3.44Å; Y86-R387 VanDerWaalsContact CD1-NH2 3.28Å; Y86-R387 VanDerWaalsContact CG-CZ 3.41Å; E204-R387 VanDerWaalsContact CA-O 3.32Å; E204-R387 WeakPolarHBondContact CA-O 3.32Å; E204-R387 PolarHBondContact N-O 3.04Å; E204-R387 WeakPolarHBondContact O-CG 3.29Å; E204-R387 PolarHBondContact O-NH1 2.84Å; W385-R387 PolarHBondContact O-N 3Å
388	H	96.7	Very high	96.7	Very high	19 Å²	19	29.7 Å²	29.7	9%	0.088	15%	0.148	C	C	.	.			trans	-112	158.7	-172.1	-63.1	-88.1	0	0	0	112.3	Q82 F203 F205 N382 W385 M413 W414	Q82-H388 PolarHBondContact OE1-CD2 3Å; Q82-H388 PolarHBondContact OE1-NE2 3.27Å; Q82-H388 VanDerWaalsContact OE1-NE2 3.14Å; F203-H388 AromaticContact CE2-ND1 3.61Å; F205-H388 WeakPolarHBondContact CE2-O 3.04Å; N382-H388 HydrophobicContact CB-CB 4.07Å; N382-H388 WeakPolarHBondContact CB-O 3.4Å; N382-H388 PolarHBondContact N-O 3.24Å; W385-H388 HydrophobicContact CB-CB 4.28Å; W385-H388 WeakPolarHBondContact O-CB 3.46Å; W385-H388 PolarHBondContact O-N 3.48Å; H388-M413 PolarHBondContact ND1-O 3.47Å; H388-M413 VanDerWaalsContact ND1-O 3.1Å; H388-W414 HydrophobicContact CB-CD2 4.22Å; H388-W414 HydrophobicContact CB-CE3 4.15Å; H388-W414 HydrophobicContact CB-CH2 3.73Å; H388-W414 HydrophobicContact CB-CZ2 3.85Å; H388-W414 HydrophobicContact CB-CZ3 3.88Å; H388-W414 AromaticContact CD2-CE3 3.75Å; H388-W414 AromaticContact CD2-CZ3 3.4Å; H388-W414 VanDerWaalsContact CD2-CZ3 3.4Å; H388-W414 WeakPolarHBondContact CD2-CZ3 3.39Å; H388-W414 AromaticContact CE1-CD2 3.85Å; H388-W414 AromaticContact CE1-CE3 3.16Å; H388-W414 AromaticContact CE1-CZ3 3.66Å; H388-W414 AromaticContact CG-CD2 3.8Å; H388-W414 AromaticContact CG-CE3 3.37Å; H388-W414 AromaticContact CG-CH2 3.69Å; H388-W414 AromaticContact CG-CZ3 3.28Å; H388-W414 AromaticContact ND1-CD2 3.29Å; H388-W414 VanDerWaalsContact ND1-CD2 3.29Å; H388-W414 AromaticContact ND1-CE3 2.99Å; H388-W414 AromaticContact ND1-CG 3.82Å; H388-W414 AromaticContact ND1-CZ3 3.48Å; H388-W414 WeakPolarHBondContact ND1-CZ3 3.27Å; H388-W414 AromaticContact NE2-CE3 3.64Å; H388-W414 AromaticContact NE2-CZ3 3.65Å
389	M	98	Very high	96.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	170.2	176.1	61.6	180	-176.9	0	0	111.4	C200 L202 F203 F205 L379 R380 V391 M413	C200-M389 HydrophobicContact CB-CE 3.88Å; L202-M389 HydrophobicContact CB-CE 4.23Å; L202-M389 HydrophobicContact CB-SD 4.02Å; F203-M389 HydrophobicContact CB-CE 4.39Å; F205-M389 HydrophobicContact CE2-CB 3.78Å; F205-M389 HydrophobicContact CE2-CG 4.11Å; F205-M389 HydrophobicContact CE2-SD 4.19Å; F205-M389 HydrophobicContact CZ-CB 3.87Å; F205-M389 HydrophobicContact CZ-CG 4.37Å; F205-M389 HydrophobicContact CZ-SD 4.08Å; L379-M389 HydrophobicContact CB-SD 4.44Å; L379-M389 HydrophobicContact CD2-CE 4.16Å; L379-M389 HydrophobicContact CD2-SD 4.04Å; L379-M389 HydrophobicContact CG-SD 4.18Å; R380-M389 CarbonylContact O-C 3.33Å; R380-M389 WeakPolarHBondContact O-CA 3.4Å; R380-M389 VanDerWaalsContact O-CB 3.26Å; R380-M389 WeakPolarHBondContact O-CB 3.41Å; M389-V391 HydrophobicContact CE-CG2 4.32Å; M389-M413 HydrophobicContact CE-CE 3.91Å; M389-M413 HydrophobicContact CE-CG 4.06Å; M389-M413 HydrophobicContact CG-CB 3.91Å; M389-M413 HydrophobicContact CG-CG 3.82Å; M389-M413 WeakPolarHBondContact O-CA 3.4Å; M389-M413 VanDerWaalsContact O-CB 3.26Å; M389-M413 WeakPolarHBondContact O-CB 3.48Å; M389-M413 PolarHBondContact O-N 3.25Å
390	T	98.6	Very high	94.8	Very high	40 Å²	40	36.8 Å²	36.8	25%	0.245	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.7	167.6	-64.3	0	0	0	0	108.9	R380 F411	R380-T390 PolarHBondContact N-O 2.95Å; R380-T390 PolarHBondContact O-N 3.5Å; T390-F411 WeakPolarHBondContact CA-O 3.33Å
391	V	98.8	Very high	93.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.7	170.5	-179.9	0	0	0	0	108	F359 I377 V378 L379 M389 L393 S410 F411 M413	F359-V391 HydrophobicContact CE1-CB 3.83Å; F359-V391 HydrophobicContact CE1-CG1 3.85Å; F359-V391 HydrophobicContact CE1-CG2 4.1Å; F359-V391 HydrophobicContact CZ-CB 4.23Å; F359-V391 HydrophobicContact CZ-CG1 3.99Å; F359-V391 HydrophobicContact CZ-CG2 4.15Å; I377-V391 HydrophobicContact CD1-CG1 3.74Å; I377-V391 HydrophobicContact CG1-CG1 3.77Å; V378-V391 CarbonylContact O-C 3.57Å; V378-V391 WeakPolarHBondContact O-CA 3.46Å; L379-V391 HydrophobicContact CD1-CG1 4.26Å; L379-V391 HydrophobicContact CD1-CG2 4.33Å; L379-V391 HydrophobicContact CG-CG2 4.2Å; M389-V391 HydrophobicContact CE-CG2 4.32Å; V391-L393 HydrophobicContact CG1-CG 4.44Å; V391-S410 CarbonylContact O-C 3.56Å; V391-S410 WeakPolarHBondContact O-CA 3.25Å; V391-F411 HydrophobicContact CB-CB 4.49Å; V391-F411 PolarHBondContact N-O 2.92Å; V391-F411 PolarHBondContact O-N 3.06Å; V391-M413 HydrophobicContact CG2-CG 3.85Å; V391-M413 HydrophobicContact CG2-SD 4.05Å
392	A	98.8	Very high	91.4	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.5	172.6	0	0	0	0	0	110.1	I377 V378 K409 S410	I377-A392 CarbonylContact C-O 3.59Å; I377-A392 WeakPolarHBondContact CA-O 3.42Å; V378-A392 HydrophobicContact CB-CB 4.32Å; V378-A392 PolarHBondContact N-O 3.27Å; V378-A392 PolarHBondContact O-N 3.35Å; A392-K409 WeakPolarHBondContact CA-O 3.2Å; A392-S410 WeakPolarHBondContact CB-OG 3.38Å
393	L	98.8	Very high	90.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.1	177	-74	163.5	0	0	0	108.8	L233 F310 F323 F359 I377 V391 W395 T408 K409 F411	L233-L393 HydrophobicContact CD2-CD2 3.87Å; F310-L393 HydrophobicContact CE1-CD2 4.14Å; F323-L393 HydrophobicContact CB-CD1 4.27Å; F323-L393 HydrophobicContact CD2-CD1 3.74Å; F323-L393 HydrophobicContact CD2-CD2 4.44Å; F323-L393 HydrophobicContact CE2-CD1 4.39Å; F323-L393 HydrophobicContact CG-CD1 4.27Å; F359-L393 HydrophobicContact CB-CD1 3.81Å; F359-L393 HydrophobicContact CD1-CD1 4.37Å; F359-L393 HydrophobicContact CD2-CD1 4.4Å; F359-L393 HydrophobicContact CG-CD1 3.96Å; I377-L393 HydrophobicContact CB-CD2 3.76Å; I377-L393 HydrophobicContact CD1-CD2 4.03Å; I377-L393 HydrophobicContact CG1-CD2 3.71Å; I377-L393 HydrophobicContact CG1-CG 4.41Å; V391-L393 HydrophobicContact CG1-CG 4.44Å; L393-W395 HydrophobicContact CB-CE3 4.32Å; L393-W395 HydrophobicContact CB-CZ3 4.41Å; L393-W395 WeakPolarHBondContact O-CZ3 3.47Å; L393-T408 CarbonylContact O-C 3.59Å; L393-T408 VanDerWaalsContact O-CA 3.23Å; L393-T408 WeakPolarHBondContact O-CA 3.19Å; L393-K409 PolarHBondContact N-O 3.01Å; L393-K409 PolarHBondContact O-N 3.3Å; L393-F411 HydrophobicContact CD1-CD2 4.36Å; L393-F411 HydrophobicContact CD1-CE2 3.92Å
394	H	98.5	Very high	90	Very high	75 Å²	75	49.4 Å²	49.4	35%	0.347	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.9	170.4	-56	86.3	0	0	0	107.9	F310 G375 N376 G407 T408	F310-H394 WeakPolarHBondContact CZ-O 3.37Å; G375-H394 CarbonylContact C-O 3.56Å; G375-H394 VanDerWaalsContact CA-O 3.3Å; G375-H394 WeakPolarHBondContact CA-O 3.37Å; N376-H394 PolarHBondContact N-O 2.66Å; N376-H394 PolarHBondContact O-N 3.03Å; N376-H394 PolarHBondContact OD1-ND1 3.41Å; H394-G407 WeakPolarHBondContact CA-O 3.26Å; H394-T408 VanDerWaalsContact CD2-CB 3.41Å; H394-T408 WeakPolarHBondContact CD2-CB 3.34Å; H394-T408 PolarHBondContact CD2-OG1 3.11Å; H394-T408 PolarHBondContact NE2-OG1 3.26Å
395	W	98.3	Very high	90.1	Very high	22 Å²	22	52.7 Å²	52.7	8%	0.083	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.2	179.6	68.9	95	0	0	0	111.8	F310 F323 L361 I373 H374 L393 A406 G407 K409	F310-W395 HydrophobicContact CE2-CB 4.34Å; F310-W395 HydrophobicContact CZ-CB 4.14Å; F323-W395 HydrophobicContact CE2-CB 4.43Å; F323-W395 HydrophobicContact CE2-CD2 4.24Å; F323-W395 HydrophobicContact CE2-CE3 4.13Å; F323-W395 HydrophobicContact CE2-CG 4.38Å; F323-W395 HydrophobicContact CZ-CB 4Å; F323-W395 HydrophobicContact CZ-CG 4.31Å; L361-W395 HydrophobicContact CD2-CH2 4.35Å; L361-W395 HydrophobicContact CD2-CZ2 3.52Å; L361-W395 HydrophobicContact CG-CH2 4.05Å; L361-W395 HydrophobicContact CG-CZ2 3.72Å; I373-W395 HydrophobicContact CG2-CB 4.29Å; H374-W395 CarbonylContact O-C 3.48Å; H374-W395 WeakPolarHBondContact O-CA 3.49Å; L393-W395 HydrophobicContact CB-CE3 4.32Å; L393-W395 HydrophobicContact CB-CZ3 4.41Å; L393-W395 WeakPolarHBondContact O-CZ3 3.47Å; W395-A406 CarbonylContact O-C 3.55Å; W395-A406 VanDerWaalsContact O-CA 3.28Å; W395-A406 WeakPolarHBondContact O-CA 3.43Å; W395-G407 PolarHBondContact N-O 2.8Å; W395-G407 PolarHBondContact O-N 3.28Å; W395-K409 HydrophobicContact CH2-CB 4.17Å; W395-K409 HydrophobicContact CZ3-CB 4.08Å
396	T	97.8	Very high	90.1	Very high	40 Å²	40	55.2 Å²	55.2	25%	0.245	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.8	168.4	-60.1	0	0	0	0	108.3	I373 H374 Q405	I373-T396 WeakPolarHBondContact CA-O 3.43Å; H374-T396 PolarHBondContact CD2-O 3.39Å; H374-T396 PolarHBondContact N-O 3.49Å; H374-T396 PolarHBondContact O-N 2.92Å; T396-Q405 CarbonylContact C-O 3.58Å; T396-Q405 WeakPolarHBondContact CA-O 3.38Å
397	I	96.6	Very high	90.1	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.2	176.1	-49.1	-179.5	0	0	0	107.3	F320 I365 V367 S372 I373 S404 Q405	F320-I397 HydrophobicContact CD1-CD1 3.78Å; F320-I397 HydrophobicContact CE1-CD1 4.02Å; I365-I397 HydrophobicContact CB-CD1 4.25Å; I365-I397 HydrophobicContact CD1-CD1 3.62Å; I365-I397 HydrophobicContact CG2-CD1 3.79Å; V367-I397 HydrophobicContact CG1-CD1 4.48Å; V367-I397 HydrophobicContact CG1-CG2 4.45Å; S372-I397 CarbonylContact O-C 3.54Å; S372-I397 WeakPolarHBondContact O-CA 3.41Å; I373-I397 HydrophobicContact CG1-CG1 4.25Å; I373-I397 HydrophobicContact CG1-CG2 4.36Å; I373-I397 HydrophobicContact CG2-CG1 4.46Å; I397-S404 WeakPolarHBondContact O-CA 3.47Å; I397-Q405 HydrophobicContact CB-CB 4.5Å; I397-Q405 PolarHBondContact N-O 3.39Å; I397-Q405 PolarHBondContact O-N 3.49Å
398	N	93.4	Very high	90.2	Very high	72 Å²	72	57.9 Å²	57.9	39%	0.385	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.8	173.2	-70.5	-20.6	0	0	0	108.7	S372 H374	S372-N398 PolarHBondContact N-O 3.25Å; S372-N398 PolarHBondContact O-N 2.63Å; H374-N398 PolarHBondContact NE2-ND2 2.76Å
399	S	85.3	Confident	90.2	Very high	30 Å²	30	58 Å²	58	21%	0.21	34%	0.338	C	S	.	.			trans	-86.1	155.7	171.7	64.6	0	0	0	0	110.7	D371 T401 D403	D371-S399 WeakPolarHBondContact OD1-CA 3.47Å; S399-T401 PolarHBondContact O-N 3.04Å; S399-T401 PolarHBondContact OG-OG1 3.28Å; S399-D403 PolarHBondContact N-O 3.02Å; S399-D403 PolarHBondContact OG-O 3.09Å
400	N	71.2	Confident	90.2	Very high	138 Å²	138	61 Å²	61	74%	0.738	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-1.3	172.6	-76.8	-43.2	0	0	0	113.9
401	T	64.8	Low	90.2	Very high	110 Å²	110	59.3 Å²	59.3	68%	0.675	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	19.8	-174.9	45.4	0	0	0	0	114.3	S399 D403	S399-T401 PolarHBondContact O-N 3.04Å; S399-T401 PolarHBondContact OG-OG1 3.28Å; T401-D403 PolarHBondContact O-N 3.22Å; T401-D403 VanDerWaalsContact O-N 3.14Å
402	D	61.8	Low	90	Very high	163 Å²	163	61.1 Å²	61.1	87%	0.872	36%	0.36	S	S	*	.	S	Bend	trans	63.1	6.3	-179	-86.6	-18	0	0	0	115.8
403	D	74.5	Confident	89.7	Confident	115 Å²	115	60.9 Å²	60.9	62%	0.615	36%	0.359	S	S	*	.			trans	-90.7	113.3	171.3	-80.9	-26	0	0	0	110	S399 T401	S399-D403 PolarHBondContact N-O 3.02Å; S399-D403 PolarHBondContact OG-O 3.09Å; T401-D403 PolarHBondContact O-N 3.22Å; T401-D403 VanDerWaalsContact O-N 3.14Å
404	S	83.1	Confident	89.1	Confident	85 Å²	85	64 Å²	64	59%	0.594	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.5	173	66.2	0	0	0	0	110.9	I397	I397-S404 WeakPolarHBondContact O-CA 3.47Å
405	Q	90.6	Very high	87.4	Confident	102 Å²	102	69.1 Å²	69.1	48%	0.477	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.2	172.4	-64.9	-178.5	41.3	0	0	109.6	T396 I397	T396-Q405 CarbonylContact C-O 3.58Å; T396-Q405 WeakPolarHBondContact CA-O 3.38Å; I397-Q405 HydrophobicContact CB-CB 4.5Å; I397-Q405 PolarHBondContact N-O 3.39Å; I397-Q405 PolarHBondContact O-N 3.49Å
406	A	94.3	Very high	86.8	Confident	81 Å²	81	71.5 Å²	71.5	67%	0.669	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.4	177.1	0	0	0	0	0	110.9	W395	W395-A406 CarbonylContact O-C 3.55Å; W395-A406 VanDerWaalsContact O-CA 3.28Å; W395-A406 WeakPolarHBondContact O-CA 3.43Å
407	G	96.1	Very high	86.3	Confident	22 Å²	22	73.1 Å²	73.1	23%	0.227	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.4	175.8	0	0	0	0	0	111.9	H394 W395	H394-G407 WeakPolarHBondContact CA-O 3.26Å; W395-G407 PolarHBondContact N-O 2.8Å; W395-G407 PolarHBondContact O-N 3.28Å
408	T	97.6	Very high	85.7	Confident	87 Å²	87	76.8 Å²	76.8	53%	0.534	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141	168.7	178.8	0	0	0	0	109	L393 H394	L393-T408 CarbonylContact O-C 3.59Å; L393-T408 VanDerWaalsContact O-CA 3.23Å; L393-T408 WeakPolarHBondContact O-CA 3.19Å; H394-T408 VanDerWaalsContact CD2-CB 3.41Å; H394-T408 WeakPolarHBondContact CD2-CB 3.34Å; H394-T408 PolarHBondContact CD2-OG1 3.11Å; H394-T408 PolarHBondContact NE2-OG1 3.26Å
409	K	98.1	Very high	85.2	Confident	21 Å²	21	77.1 Å²	77.1	9%	0.091	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	138.7	174.4	-170.2	164.9	172.1	-177.4	0	110.9	F269 M360 D362 A392 L393 W395 F411	F269-K409 WeakPolarHBondContact O-CE 3.29Å; F269-K409 PolarHBondContact O-NZ 3.05Å; M360-K409 PolarHBondContact O-NZ 3.49Å; D362-K409 WeakPolarHBondContact OD1-CE 3.4Å; D362-K409 IonicContact OD1-NZ 2.77Å; D362-K409 PolarHBondContact OD1-NZ 3.5Å; A392-K409 WeakPolarHBondContact CA-O 3.2Å; L393-K409 PolarHBondContact N-O 3.01Å; L393-K409 PolarHBondContact O-N 3.3Å; W395-K409 HydrophobicContact CH2-CB 4.17Å; W395-K409 HydrophobicContact CZ3-CB 4.08Å; K409-F411 HydrophobicContact CB-CE2 3.81Å; K409-F411 HydrophobicContact CB-CZ 4.07Å; K409-F411 HydrophobicContact CD-CE1 3.9Å; K409-F411 HydrophobicContact CD-CE2 4.08Å; K409-F411 HydrophobicContact CD-CZ 3.47Å; K409-F411 VanDerWaalsContact CD-CZ 3.47Å; K409-F411 HydrophobicContact CG-CD2 4.34Å; K409-F411 HydrophobicContact CG-CE1 4.17Å; K409-F411 HydrophobicContact CG-CE2 3.69Å; K409-F411 HydrophobicContact CG-CZ 3.61Å
410	S	97.8	Very high	85.2	Confident	66 Å²	66	80 Å²	80	46%	0.462	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133	177.9	-66.6	0	0	0	0	110.6	V391 A392	V391-S410 CarbonylContact O-C 3.56Å; V391-S410 WeakPolarHBondContact O-CA 3.25Å; A392-S410 WeakPolarHBondContact CB-OG 3.38Å
411	F	97.9	Very high	86.2	Confident	3 Å²	3	76.1 Å²	76.1	1%	0.013	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	103.9	-174.7	-61.7	-91.8	0	0	0	109	P272 F359 M360 T390 V391 L393 K409 M413	P272-F411 HydrophobicContact CG-CB 4.28Å; F359-F411 HydrophobicContact CB-CD2 4.39Å; F359-F411 HydrophobicContact CB-CE1 4.15Å; F359-F411 HydrophobicContact CB-CE2 3.96Å; F359-F411 HydrophobicContact CB-CZ 3.81Å; F359-F411 HydrophobicContact CD1-CB 3.85Å; F359-F411 AromaticContact CD1-CD1 3.96Å; F359-F411 HydrophobicContact CD1-CD1 3.96Å; F359-F411 AromaticContact CD1-CD2 3.62Å; F359-F411 HydrophobicContact CD1-CD2 3.62Å; F359-F411 HydrophobicContact CD1-CE1 4.35Å; F359-F411 HydrophobicContact CD1-CE2 4.07Å; F359-F411 AromaticContact CD1-CG 3.54Å; F359-F411 HydrophobicContact CD1-CG 3.54Å; F359-F411 HydrophobicContact CD1-CZ 4.39Å; F359-F411 HydrophobicContact CE1-CB 4Å; F359-F411 HydrophobicContact CE1-CD2 4.38Å; F359-F411 HydrophobicContact CE1-CG 4.2Å; F359-F411 HydrophobicContact CG-CD2 4.42Å; F359-F411 HydrophobicContact CG-CE2 4.46Å; M360-F411 WeakPolarHBondContact O-CE1 3.19Å; M360-F411 WeakPolarHBondContact O-CZ 3.2Å; T390-F411 WeakPolarHBondContact CA-O 3.33Å; V391-F411 HydrophobicContact CB-CB 4.49Å; V391-F411 PolarHBondContact N-O 2.92Å; V391-F411 PolarHBondContact O-N 3.06Å; L393-F411 HydrophobicContact CD1-CD2 4.36Å; L393-F411 HydrophobicContact CD1-CE2 3.92Å; K409-F411 HydrophobicContact CB-CE2 3.81Å; K409-F411 HydrophobicContact CB-CZ 4.07Å; K409-F411 HydrophobicContact CD-CE1 3.9Å; K409-F411 HydrophobicContact CD-CE2 4.08Å; K409-F411 HydrophobicContact CD-CZ 3.47Å; K409-F411 VanDerWaalsContact CD-CZ 3.47Å; K409-F411 HydrophobicContact CG-CD2 4.34Å; K409-F411 HydrophobicContact CG-CE1 4.17Å; K409-F411 HydrophobicContact CG-CE2 3.69Å; K409-F411 HydrophobicContact CG-CZ 3.61Å; F411-M413 PolarHBondContact O-N 3.09Å
412	P	95.8	Very high	87.7	Confident	39 Å²	39	73.7 Å²	73.7	25%	0.253	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126	173.8	29	-33.5	0	0	0	109.6	T270 K271 P272 W414	T270-P412 WeakPolarHBondContact O-CD 3.25Å; K271-P412 HydrophobicContact CG-CG 4.35Å; P272-P412 WeakPolarHBondContact CD-O 3.26Å; P412-W414 VanDerWaalsContact C-CD1 3.46Å
413	M	92.6	Very high	89.7	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	101.2	179.6	-62.4	-78.4	-68	0	0	109.7	N199 C200 F203 P272 F274 F359 H388 M389 V391 F411	N199-M413 HydrophobicContact CB-CE 4.07Å; C200-M413 HydrophobicContact CB-CE 3.82Å; F203-M413 HydrophobicContact CB-CE 4.24Å; F203-M413 HydrophobicContact CD2-CB 3.92Å; F203-M413 HydrophobicContact CE2-CB 4.32Å; F203-M413 VanDerWaalsContact CE2-O 3.23Å; F203-M413 WeakPolarHBondContact CE2-O 3.49Å; P272-M413 HydrophobicContact CB-SD 4.28Å; P272-M413 HydrophobicContact CG-CG 4.48Å; P272-M413 HydrophobicContact CG-SD 3.26Å; P272-M413 WeakPolarHBondContact CG-SD 3.49Å; F274-M413 HydrophobicContact CE1-CE 3.39Å; F274-M413 HydrophobicContact CE1-SD 3.83Å; F274-M413 HydrophobicContact CZ-CE 3.68Å; F274-M413 HydrophobicContact CZ-SD 4.18Å; F359-M413 HydrophobicContact CE1-SD 4.37Å; H388-M413 PolarHBondContact ND1-O 3.47Å; H388-M413 VanDerWaalsContact ND1-O 3.1Å; M389-M413 HydrophobicContact CE-CE 3.91Å; M389-M413 HydrophobicContact CE-CG 4.06Å; M389-M413 HydrophobicContact CG-CB 3.91Å; M389-M413 HydrophobicContact CG-CG 3.82Å; M389-M413 WeakPolarHBondContact O-CA 3.4Å; M389-M413 VanDerWaalsContact O-CB 3.26Å; M389-M413 WeakPolarHBondContact O-CB 3.48Å; M389-M413 PolarHBondContact O-N 3.25Å; V391-M413 HydrophobicContact CG2-CG 3.85Å; V391-M413 HydrophobicContact CG2-SD 4.05Å; F411-M413 PolarHBondContact O-N 3.09Å
414	W	86.3	Confident	91	Very high	65 Å²	65	62.8 Å²	62.8	25%	0.246	36%	0.355	C	S	.	.			trans	-138.7	156.2	177.7	-54.1	79.3	0	0	0	108.6	N382 W385 H388 P412	N382-W414 WeakPolarHBondContact ND2-CH2 3.39Å; N382-W414 VanDerWaalsContact ND2-CZ2 3.3Å; N382-W414 WeakPolarHBondContact ND2-CZ2 3.45Å; W385-W414 HydrophobicContact CB-CH2 3.57Å; W385-W414 HydrophobicContact CB-CZ3 3.87Å; W385-W414 AromaticContact CD1-CH2 3.53Å; W385-W414 AromaticContact CG-CH2 3.66Å; W385-W414 HydrophobicContact CG-CH2 3.66Å; W385-W414 AromaticContact CG-CZ3 3.95Å; W385-W414 HydrophobicContact CG-CZ3 3.95Å; H388-W414 HydrophobicContact CB-CD2 4.22Å; H388-W414 HydrophobicContact CB-CE3 4.15Å; H388-W414 HydrophobicContact CB-CH2 3.73Å; H388-W414 HydrophobicContact CB-CZ2 3.85Å; H388-W414 HydrophobicContact CB-CZ3 3.88Å; H388-W414 AromaticContact CD2-CE3 3.75Å; H388-W414 AromaticContact CD2-CZ3 3.4Å; H388-W414 VanDerWaalsContact CD2-CZ3 3.4Å; H388-W414 WeakPolarHBondContact CD2-CZ3 3.39Å; H388-W414 AromaticContact CE1-CD2 3.85Å; H388-W414 AromaticContact CE1-CE3 3.16Å; H388-W414 AromaticContact CE1-CZ3 3.66Å; H388-W414 AromaticContact CG-CD2 3.8Å; H388-W414 AromaticContact CG-CE3 3.37Å; H388-W414 AromaticContact CG-CH2 3.69Å; H388-W414 AromaticContact CG-CZ3 3.28Å; H388-W414 AromaticContact ND1-CD2 3.29Å; H388-W414 VanDerWaalsContact ND1-CD2 3.29Å; H388-W414 AromaticContact ND1-CE3 2.99Å; H388-W414 AromaticContact ND1-CG 3.82Å; H388-W414 AromaticContact ND1-CZ3 3.48Å; H388-W414 WeakPolarHBondContact ND1-CZ3 3.27Å; H388-W414 AromaticContact NE2-CE3 3.64Å; H388-W414 AromaticContact NE2-CZ3 3.65Å; P412-W414 VanDerWaalsContact C-CD1 3.46Å
415	R	61.6	Low	91.7	Very high	183 Å²	183	60.8 Å²	60.8	69%	0.691	33%	0.333	S	S	*	.			trans	-81.6	0	169.7	-80.6	-175.6	172.9	163.4	6	111.3	F203 E204 F274	F203-R415 HydrophobicContact CE1-CG 3.83Å; F203-R415 HydrophobicContact CZ-CG 3.96Å; E204-R415 IonicContact OE1-CZ 3.84Å; E204-R415 IonicContact OE1-NH1 3.52Å; E204-R415 PolarHBondContact OE1-NH1 3.01Å; E204-R415 IonicContact OE1-NH2 2.69Å; E204-R415 PolarHBondContact OE1-NH2 3.3Å; F274-R415 HydrophobicContact CE2-CG 4.46Å

Retrieved 415 of 415 residues in 1202.1 ms (Link to these results)

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