A0A087XRI4_POEFO Loading...

Galactocerebrosidase

Hydrolyzes the galactose ester bonds of glycolipids such as galactosylceramide and galactosylsphingosine.

AlphaFold DB , UniProt , Accession A0A087XRI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	32.7	Very low	247 Å²	247	166.4 Å²	166.4	100%	1.217	84%	0.836	S	S	*	*				0	112	0	-106.8	161.4	123.6	0	0	107.3
2	D	33.6	Very low	32.9	Very low	150 Å²	150	160.5 Å²	160.5	80%	0.802	83%	0.832	S	S	*	*			trans	68.5	133.7	153.2	-102.4	-26.6	0	0	0	125.8
3	Q	33.2	Very low	33	Very low	148 Å²	148	158.4 Å²	158.4	69%	0.692	83%	0.83	S	S	*	*			trans	86.8	95.6	148.8	-67	-175.1	11.9	0	0	123.4
4	R	35.3	Very low	32.9	Very low	220 Å²	220	155.5 Å²	155.5	83%	0.83	83%	0.828	S	S	*	*				54	124.6	121.7	-62.3	-177.9	-166.9	-163.4	4.1	120.3
5	V	34.6	Very low	33	Very low	128 Å²	128	156 Å²	156	78%	0.776	83%	0.829	S	S	*	*				-150.8	131.3	123.1	176.5	0	0	0	0	109.3
6	F	32.1	Very low	33.1	Very low	186 Å²	186	155.8 Å²	155.8	82%	0.816	83%	0.828	S	S	*	*			trans	-95.2	144.1	170.9	-97.9	-94.7	0	0	0	110.1
7	W	29.4	Very low	33.1	Very low	218 Å²	218	153 Å²	153	83%	0.826	82%	0.823	S	S	*	*			trans	-131.3	130.7	158.4	-85.7	94	0	0	0	109.4
8	V	31.8	Very low	33.2	Very low	123 Å²	123	152.9 Å²	152.9	75%	0.745	82%	0.822	S	S	*	*			trans	-121.2	124.8	170.1	173.9	0	0	0	0	106.6
9	F	31.5	Very low	33.3	Very low	191 Å²	191	150.4 Å²	150.4	84%	0.838	81%	0.813	S	S	*	*			trans	-92.3	126.6	168.5	-93.3	-87.9	0	0	0	109.1
10	A	32	Very low	33.3	Very low	93 Å²	93	149.1 Å²	149.1	77%	0.769	81%	0.809	S	S	*	*			trans	-118.6	126.1	167.7	0	0	0	0	0	108.8
11	S	33.1	Very low	33.3	Very low	126 Å²	126	149.8 Å²	149.8	88%	0.881	81%	0.807	S	S	*	*			trans	-77.2	124.9	176.3	-56.5	0	0	0	0	110.4
12	A	34.2	Very low	33.3	Very low	96 Å²	96	142.6 Å²	142.6	79%	0.793	78%	0.781	S	S	*	*			trans	-100.2	120.8	171.7	0	0	0	0	0	110.1
13	V	34.3	Very low	33.6	Very low	133 Å²	133	140.5 Å²	140.5	81%	0.806	78%	0.778	S	S	*	*			trans	-89.1	111.1	169	172.4	0	0	0	0	107.5	L15	V13-L15 PolarHBondContact O-N 3.09Å
14	C	31.8	Very low	34.5	Very low	118 Å²	118	138.3 Å²	138.3	80%	0.797	78%	0.779	S	S	*	*			trans	-79.5	109.2	170.2	-83.7	0	0	0	0	109.8	L16	C14-L16 PolarHBondContact O-N 3.26Å
15	L	34.4	Very low	35.7	Very low	163 Å²	163	128.8 Å²	128.8	85%	0.853	75%	0.75	S	S	*	*			trans	-77	107.5	163.7	-87.3	148.8	0	0	0	108.6	V13 S17	V13-L15 PolarHBondContact O-N 3.09Å; L15-S17 PolarHBondContact O-N 3.11Å
16	L	34.8	Very low	38.1	Very low	153 Å²	153	128.1 Å²	128.1	80%	0.801	74%	0.738	S	S	*	*			trans	-70.1	104.1	165	-91.8	119.3	0	0	0	109.1	C14 L18	C14-L16 PolarHBondContact O-N 3.26Å; L16-L18 PolarHBondContact O-N 3.35Å; L16-L18 VanDerWaalsContact O-N 3.1Å
17	S	33.6	Very low	41	Very low	108 Å²	108	123 Å²	123	76%	0.755	72%	0.722	S	S	*	*			trans	-70.8	93.6	161.8	28.3	0	0	0	0	109.1	L15 T19	L15-S17 PolarHBondContact O-N 3.11Å; S17-T19 VanDerWaalsContact C-N 3.31Å; S17-T19 PolarHBondContact O-N 3.24Å
18	L	33.8	Very low	44.3	Very low	151 Å²	151	113.5 Å²	113.5	79%	0.791	69%	0.686	S	S	*	*			trans	-64.8	92.3	162.3	-84	151.2	0	0	0	108.4	L16 V20	L16-L18 PolarHBondContact O-N 3.35Å; L16-L18 VanDerWaalsContact O-N 3.1Å; L18-V20 VanDerWaalsContact C-N 3.26Å; L18-V20 PolarHBondContact O-N 3.19Å
19	T	35.3	Very low	47.4	Very low	106 Å²	106	109.9 Å²	109.9	65%	0.65	67%	0.665	S	S	*	*			trans	-67.6	93.5	159.1	48.7	0	0	0	0	107.2	S17 H21	S17-T19 VanDerWaalsContact C-N 3.31Å; S17-T19 PolarHBondContact O-N 3.24Å; T19-H21 VanDerWaalsContact C-N 3.25Å; T19-H21 PolarHBondContact O-N 2.87Å; T19-H21 PolarHBondContact O-ND1 3.27Å
20	V	33.1	Very low	50.5	Low	124 Å²	124	100.8 Å²	100.8	75%	0.752	63%	0.625	S	S	*	*			trans	-59.8	97.3	162.2	-178.4	0	0	0	0	105.7	L18 S22	L18-V20 VanDerWaalsContact C-N 3.26Å; L18-V20 PolarHBondContact O-N 3.19Å; V20-S22 PolarHBondContact O-N 3.27Å
21	H	33.5	Very low	53.7	Low	164 Å²	164	97 Å²	97	76%	0.759	59%	0.593	S	S	*	*			trans	-65.3	91.8	159.9	-76.8	71.4	0	0	0	104.8	T19 S23	T19-H21 VanDerWaalsContact C-N 3.25Å; T19-H21 PolarHBondContact O-N 2.87Å; T19-H21 PolarHBondContact O-ND1 3.27Å; H21-S23 PolarHBondContact O-N 3.5Å
22	S	33.9	Very low	56.7	Low	96 Å²	96	93.2 Å²	93.2	67%	0.671	56%	0.563	S	S	*	*			trans	-55.7	110.9	158.6	41.9	0	0	0	0	105	V20 S24	V20-S22 PolarHBondContact O-N 3.27Å; S22-S24 PolarHBondContact O-N 3.34Å
23	S	41	Very low	59.6	Low	105 Å²	105	94.6 Å²	94.6	73%	0.734	55%	0.552	S	S	*	*			trans	-68.8	73.5	166.5	69.2	0	0	0	0	106.6	H21 G25	H21-S23 PolarHBondContact O-N 3.5Å; S23-G25 PolarHBondContact O-N 2.81Å
24	S	50.7	Low	62.4	Low	103 Å²	103	91.7 Å²	91.7	72%	0.72	55%	0.549	S	S	*	.			trans	-61.1	107.8	167.1	-179.7	0	0	0	0	105.4	S22 Q26	S22-S24 PolarHBondContact O-N 3.34Å; S24-Q26 PolarHBondContact O-N 3.47Å
25	G	61.4	Low	65.5	Low	20 Å²	20	87.6 Å²	87.6	21%	0.206	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-51.6	135.9	175.9	0	0	0	0	0	109.6	S23 T27	S23-G25 PolarHBondContact O-N 2.81Å; G25-T27 PolarHBondContact O-N 3.42Å
26	Q	85.1	Confident	68.5	Low	113 Å²	113	83.2 Å²	83.2	53%	0.528	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	133.9	174	-79.9	-78.7	-0.8	0	0	108.7	S24 Y28 A349 T394	S24-Q26 PolarHBondContact O-N 3.47Å; Q26-Y28 HydrophobicContact CB-CE2 3.64Å; Q26-Y28 WeakPolarHBondContact CB-OH 3.44Å; Q26-Y28 WeakPolarHBondContact O-CD2 3.36Å; Q26-Y28 WeakPolarHBondContact O-CE2 3.36Å; Q26-A349 HydrophobicContact CG-CB 3.98Å; Q26-T394 PolarHBondContact O-N 2.81Å
27	T	93.6	Very high	71.5	Confident	78 Å²	78	77.2 Å²	77.2	48%	0.479	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.7	-177.5	-59.2	0	0	0	0	110.1	G25 T394 Q396	G25-T27 PolarHBondContact O-N 3.42Å; T27-T394 CarbonylContact C-O 3.57Å; T27-T394 VanDerWaalsContact CA-O 3.27Å; T27-T394 WeakPolarHBondContact CA-O 3.5Å; T27-Q396 HydrophobicContact CG2-CB 4.03Å
28	Y	97.1	Very high	74.6	Confident	19 Å²	19	74.7 Å²	74.7	8%	0.075	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.2	-178.9	-57.7	-83.8	0	0	0	108.8	Q26 F348 A349 Y354 A393 T394 F395 Q396	Q26-Y28 HydrophobicContact CB-CE2 3.64Å; Q26-Y28 WeakPolarHBondContact CB-OH 3.44Å; Q26-Y28 WeakPolarHBondContact O-CD2 3.36Å; Q26-Y28 WeakPolarHBondContact O-CE2 3.36Å; Y28-F348 HydrophobicContact CD2-CD1 4.35Å; Y28-F348 HydrophobicContact CD2-CE1 4.37Å; Y28-F348 AromaticContact CE1-CD1 3.95Å; Y28-F348 HydrophobicContact CE1-CD1 3.95Å; Y28-F348 AromaticContact CE2-CD1 3.76Å; Y28-F348 HydrophobicContact CE2-CD1 3.76Å; Y28-F348 HydrophobicContact CE2-CE1 4.18Å; Y28-F348 AromaticContact CZ-CD1 3.54Å; Y28-A349 PolarHBondContact OH-N 3.23Å; Y28-Y354 AromaticContact CD1-CE1 3.63Å; Y28-Y354 HydrophobicContact CD1-CE1 3.63Å; Y28-Y354 AromaticContact CD1-CZ 3.92Å; Y28-Y354 HydrophobicContact CE1-CE1 4.22Å; Y28-Y354 HydrophobicContact CG-CE1 4.19Å; Y28-A393 HydrophobicContact CD2-CB 4.16Å; Y28-A393 HydrophobicContact CE2-CB 3.89Å; Y28-T394 PolarHBondContact N-O 2.8Å; Y28-F395 WeakPolarHBondContact O-CA 3.44Å; Y28-Q396 PolarHBondContact O-N 3.08Å
29	P	97.1	Very high	77.7	Confident	47 Å²	47	70.6 Å²	70.6	31%	0.305	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.1	177.9	29.3	-32.9	0	0	0	110.3	T344 Q396	P29-T344 HydrophobicContact CG-CG2 4.26Å; P29-T344 WeakPolarHBondContact O-CB 3.25Å; P29-T344 PolarHBondContact O-OG1 3.49Å; P29-T344 VanDerWaalsContact O-OG1 3.07Å; P29-Q396 CarbonylContact C-O 3.53Å; P29-Q396 WeakPolarHBondContact CA-O 3.33Å
30	L	98.2	Very high	80.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	102.1	167.7	-60.5	179.1	0	0	0	107.1	L342 Y354 A356 L364 V366 F395 Q396 L397 K398	L30-L342 HydrophobicContact CB-CD1 4.5Å; L30-Y354 HydrophobicContact CD2-CD2 4.37Å; L30-Y354 HydrophobicContact CD2-CE2 4.03Å; L30-A356 HydrophobicContact CD2-CB 3.96Å; L30-L364 HydrophobicContact CD1-CD2 4.49Å; L30-V366 HydrophobicContact CD1-CG2 3.63Å; L30-F395 HydrophobicContact CD1-CB 4.09Å; L30-F395 HydrophobicContact CD1-CD1 3.89Å; L30-F395 HydrophobicContact CD1-CG 4.34Å; L30-F395 HydrophobicContact CD2-CD1 4.05Å; L30-F395 HydrophobicContact CG-CB 4.48Å; L30-F395 HydrophobicContact CG-CD1 3.98Å; L30-Q396 PolarHBondContact N-O 3.23Å; L30-L397 HydrophobicContact CB-CD1 4.49Å; L30-L397 HydrophobicContact CB-CG 4.45Å; L30-L397 HydrophobicContact CD1-CD1 3.95Å; L30-K398 PolarHBondContact O-N 3.32Å
31	T	97.6	Very high	83.9	Confident	14 Å²	14	60.6 Å²	60.6	9%	0.086	37%	0.373	C	S	.	.			trans	-147	148.2	-172.6	-164.8	0	0	0	0	112.2	E33 T344	T31-E33 HydrophobicContact CG2-CB 4.32Å; T31-E33 VanDerWaalsContact OG1-CB 3.31Å; T31-E33 WeakPolarHBondContact OG1-CB 3.42Å; T31-E33 WeakPolarHBondContact OG1-CG 3.34Å; T31-E33 PolarHBondContact OG1-N 2.95Å; T31-E33 VanDerWaalsContact OG1-N 3.1Å; T31-T344 HydrophobicContact CG2-CG2 3.79Å; T31-T344 PolarHBondContact N-OG1 3.24Å
32	D	97.1	Very high	87	Confident	47 Å²	47	52.8 Å²	52.8	25%	0.251	34%	0.337	S	S	.	.			trans	-100.4	0.7	167	60.8	-17.6	0	0	0	112.3	G34 G35 L36 G399 S400 F401	D32-G34 PolarHBondContact O-N 3.33Å; D32-G35 PolarHBondContact O-N 3.15Å; D32-L36 HydrophobicContact CB-CD2 3.94Å; D32-G399 WeakPolarHBondContact OD1-CA 3.44Å; D32-S400 PolarHBondContact OD1-N 2.66Å; D32-S400 PolarHBondContact OD1-OG 2.88Å; D32-S400 WeakPolarHBondContact OD2-CB 3.45Å; D32-S400 PolarHBondContact OD2-OG 2.68Å; D32-F401 HydrophobicContact CB-CE2 3.94Å; D32-F401 HydrophobicContact CB-CZ 4.38Å
33	E	94.6	Very high	90.1	Very high	124 Å²	124	48.4 Å²	48.4	58%	0.579	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	119.6	169.3	-67.6	170.8	-175.6	0	0	109.6	T31 G399	T31-E33 HydrophobicContact CG2-CB 4.32Å; T31-E33 VanDerWaalsContact OG1-CB 3.31Å; T31-E33 WeakPolarHBondContact OG1-CB 3.42Å; T31-E33 WeakPolarHBondContact OG1-CG 3.34Å; T31-E33 PolarHBondContact OG1-N 2.95Å; T31-E33 VanDerWaalsContact OG1-N 3.1Å; E33-G399 WeakPolarHBondContact OE1-CA 3.2Å; E33-G399 PolarHBondContact OE1-N 3.43Å; E33-G399 VanDerWaalsContact OE1-N 3.11Å
34	G	92.6	Very high	92.9	Very high	72 Å²	72	43.4 Å²	43.4	74%	0.742	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.8	-4.4	-172.1	0	0	0	0	0	114.1	D32 Q343	D32-G34 PolarHBondContact O-N 3.33Å; G34-Q343 PolarHBondContact O-NE2 3.04Å
35	G	96.6	Very high	95.1	Very high	33 Å²	33	38.5 Å²	38.5	34%	0.34	24%	0.237	S	C	.	.			trans	102.1	-177.2	175.7	0	0	0	0	0	113.2	D32	D32-G35 PolarHBondContact O-N 3.15Å
36	L	98.2	Very high	96.9	Very high	70 Å²	70	37.6 Å²	37.6	37%	0.366	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	165	-178.1	-61	172	0	0	0	111.3	D32 T340 L342 Q343 T358	D32-L36 HydrophobicContact CB-CD2 3.94Å; L36-T340 HydrophobicContact CB-CG2 3.58Å; L36-T340 HydrophobicContact CD1-CG2 4.14Å; L36-T340 HydrophobicContact CG-CG2 4.42Å; L36-L342 HydrophobicContact CD2-CD2 3.57Å; L36-Q343 PolarHBondContact O-NE2 2.03Å; L36-T358 HydrophobicContact CD1-CG2 4.34Å; L36-T358 HydrophobicContact CD2-CG2 3.86Å
37	G	98.3	Very high	97.6	Very high	28 Å²	28	32.2 Å²	32.2	29%	0.289	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-146.9	172	0	0	0	0	0	112	T340 Y341	G37-T340 WeakPolarHBondContact O-CG2 3.19Å; G37-Y341 WeakPolarHBondContact CA-O 3.05Å; G37-Y341 PolarHBondContact N-O 3.03Å
38	R	98.6	Very high	97.8	Very high	54 Å²	54	28.5 Å²	28.5	20%	0.204	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	157.2	178.6	-57	-176.2	170.1	-129.5	2.9	111.8	K252 Y280 Q284 T286 T340 Y341	R38-K252 PolarHBondContact NH1-O 2.96Å; R38-Y280 HydrophobicContact CB-CE2 3.95Å; R38-Y280 HydrophobicContact CG-CE2 4.26Å; R38-Y280 PolarHBondContact N-OH 2.91Å; R38-Q284 WeakPolarHBondContact CD-O 3.35Å; R38-T286 HydrophobicContact CB-CG2 3.54Å; R38-T286 HydrophobicContact CG-CG2 4.39Å; R38-T340 WeakPolarHBondContact O-CG2 3.27Å; R38-Y341 WeakPolarHBondContact O-CD2 3.46Å; R38-Y341 PolarHBondContact O-N 3.34Å
39	V	98.8	Very high	97.8	Very high	66 Å²	66	27.6 Å²	27.6	40%	0.4	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.7	172.1	179.6	0	0	0	0	109.1	T286 W339	V39-T286 WeakPolarHBondContact O-CB 3.37Å; V39-T286 WeakPolarHBondContact O-CG2 3.34Å; V39-W339 CarbonylContact C-O 3.54Å; V39-W339 WeakPolarHBondContact CA-O 3.43Å
40	F	98.9	Very high	97.8	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.018	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-73.9	130.1	172.3	172.8	-112.3	0	0	0	110.1	G42 I43 H81 T286 T335 P337 G338 W339 Y341 L357	F40-G42 VanDerWaalsContact CZ-CA 3.42Å; F40-I43 HydrophobicContact CE2-CD1 4.47Å; F40-I43 HydrophobicContact CE2-CG1 4.11Å; F40-I43 HydrophobicContact CZ-CD1 4.18Å; F40-I43 HydrophobicContact CZ-CG1 3.94Å; F40-H81 AromaticContact CE1-CE1 3.72Å; F40-H81 AromaticContact CE1-ND1 3.56Å; F40-H81 AromaticContact CZ-ND1 3.79Å; F40-T286 WeakPolarHBondContact CD2-O 3.32Å; F40-T335 WeakPolarHBondContact CE1-OG1 3.46Å; F40-P337 WeakPolarHBondContact O-CA 3.39Å; F40-G338 PolarHBondContact O-N 3.34Å; F40-W339 PolarHBondContact N-O 2.88Å; F40-Y341 HydrophobicContact CB-CD2 4.16Å; F40-Y341 HydrophobicContact CB-CE2 3.76Å; F40-Y341 AromaticContact CD2-CE2 3.79Å; F40-Y341 HydrophobicContact CD2-CE2 3.79Å; F40-Y341 AromaticContact CD2-CZ 3.86Å; F40-Y341 WeakPolarHBondContact CD2-OH 3.14Å; F40-Y341 HydrophobicContact CG-CE2 4.23Å; F40-L357 HydrophobicContact CB-CD2 3.66Å; F40-L357 HydrophobicContact CD1-CD2 4.25Å; F40-L357 HydrophobicContact CD2-CD2 4.24Å; F40-L357 HydrophobicContact CG-CD2 3.81Å
41	D	98.9	Very high	97.8	Very high	15 Å²	15	25.6 Å²	25.6	8%	0.08	16%	0.163	C	C	.	.			trans	-103.3	-19.1	-174.5	-69.8	-54.2	0	0	0	112.9	K253 W255 T286 A287 P337	D41-K253 VanDerWaalsContact OD1-CE 3.24Å; D41-K253 WeakPolarHBondContact OD1-CE 3.16Å; D41-K253 IonicContact OD1-NZ 3.29Å; D41-K253 PolarHBondContact OD1-NZ 2.89Å; D41-K253 WeakPolarHBondContact OD2-CD 3.45Å; D41-W255 HydrophobicContact CB-CZ2 3.81Å; D41-W255 PolarHBondContact OD2-NE1 3.29Å; D41-T286 PolarHBondContact N-O 2.91Å; D41-T286 VanDerWaalsContact OD2-CB 3.31Å; D41-T286 WeakPolarHBondContact OD2-CB 3.31Å; D41-T286 PolarHBondContact OD2-OG1 2.85Å; D41-A287 HydrophobicContact CB-CB 3.99Å; D41-P337 WeakPolarHBondContact O-CB 3.41Å; D41-P337 WeakPolarHBondContact O-CG 3.37Å
42	G	98.8	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.2	175.3	171.9	0	0	0	0	0	114.7	F40 A287	F40-G42 VanDerWaalsContact CZ-CA 3.42Å; G42-A287 WeakPolarHBondContact O-CA 3.37Å; G42-A287 VanDerWaalsContact O-CB 3.23Å; G42-A287 WeakPolarHBondContact O-CB 3.38Å
43	I	99	Very high	98	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.4	171.1	-64.9	162.9	0	0	0	107.1	F40 H81 I82 W272 L276 T288 T328 T332	F40-I43 HydrophobicContact CE2-CD1 4.47Å; F40-I43 HydrophobicContact CE2-CG1 4.11Å; F40-I43 HydrophobicContact CZ-CD1 4.18Å; F40-I43 HydrophobicContact CZ-CG1 3.94Å; I43-H81 WeakPolarHBondContact O-CB 3.25Å; I43-H81 PolarHBondContact O-N 2.99Å; I43-I82 PolarHBondContact O-N 2.84Å; I43-W272 HydrophobicContact CG2-CZ2 3.8Å; I43-L276 HydrophobicContact CB-CD2 4.5Å; I43-L276 HydrophobicContact CD1-CD1 4.25Å; I43-L276 HydrophobicContact CD1-CD2 3.78Å; I43-L276 HydrophobicContact CG1-CD2 3.82Å; I43-L276 HydrophobicContact CG2-CD2 3.84Å; I43-T288 WeakPolarHBondContact CA-O 3.46Å; I43-T328 HydrophobicContact CG2-CG2 4Å; I43-T332 HydrophobicContact CB-CG2 3.89Å; I43-T332 HydrophobicContact CD1-CG2 4.17Å; I43-T332 HydrophobicContact CG2-CG2 4.35Å
44	G	98.9	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	171.9	-173.2	0	0	0	0	0	115.1	I82 T288 I289 S290	G44-I82 WeakPolarHBondContact CA-O 3.26Å; G44-T288 PolarHBondContact N-O 2.89Å; G44-T288 VanDerWaalsContact N-O 3.08Å; G44-I289 WeakPolarHBondContact O-CA 3.35Å; G44-S290 PolarHBondContact O-N 3.15Å; G44-S290 PolarHBondContact O-OG 3.17Å
45	G	98.8	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.8	166.1	0	0	0	0	0	110.7	I82 K84	G45-I82 PolarHBondContact N-O 2.92Å; G45-K84 PolarHBondContact O-N 3.33Å
46	L	98.9	Very high	98.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.5	-177.4	-168.2	168.4	0	0	0	110.1	G48 K84 W136 E258 I289 S290 W291 N292 L293	L46-G48 VanDerWaalsContact CD2-O 3.25Å; L46-G48 WeakPolarHBondContact CD2-O 3.43Å; L46-K84 CarbonylContact C-O 3.25Å; L46-K84 VanDerWaalsContact CA-O 3.28Å; L46-K84 WeakPolarHBondContact CA-O 3.24Å; L46-K84 HydrophobicContact CB-CB 4.4Å; L46-K84 HydrophobicContact CD1-CD 3.93Å; L46-K84 HydrophobicContact CD1-CG 4.4Å; L46-K84 HydrophobicContact CG-CB 4.25Å; L46-K84 HydrophobicContact CG-CD 4.16Å; L46-K84 HydrophobicContact CG-CG 4.08Å; L46-W136 HydrophobicContact CD1-CH2 3.77Å; L46-W136 HydrophobicContact CD1-CZ2 3.97Å; L46-W136 HydrophobicContact CD2-CH2 3.75Å; L46-W136 HydrophobicContact CD2-CZ2 4.12Å; L46-W136 HydrophobicContact CG-CH2 4.08Å; L46-E258 HydrophobicContact CD1-CG 4.08Å; L46-I289 HydrophobicContact CB-CG2 4.19Å; L46-S290 WeakPolarHBondContact CB-O 3.44Å; L46-S290 PolarHBondContact N-O 2.56Å; L46-W291 HydrophobicContact CD1-CB 4.4Å; L46-N292 CarbonylContact O-C 3.59Å; L46-N292 WeakPolarHBondContact O-CA 3.47Å; L46-N292 WeakPolarHBondContact O-CB 3.33Å; L46-L293 WeakPolarHBondContact O-CB 3.46Å; L46-L293 PolarHBondContact O-N 3.4Å
47	S	98.9	Very high	98.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.6	168.5	-171.8	0	0	0	0	109.6	S53 K84 V85 E86 E115 L118	S47-S53 WeakPolarHBondContact OG-CB 3.34Å; S47-S53 PolarHBondContact OG-OG 3.31Å; S47-K84 PolarHBondContact N-O 2.9Å; S47-V85 CarbonylContact O-C 3.43Å; S47-V85 VanDerWaalsContact O-CA 3.3Å; S47-V85 WeakPolarHBondContact O-CA 3.37Å; S47-E86 PolarHBondContact O-N 3.46Å; S47-E115 WeakPolarHBondContact CB-OE1 3.38Å; S47-E115 VanDerWaalsContact CB-OE2 3.29Å; S47-E115 WeakPolarHBondContact CB-OE2 3.32Å; S47-E115 VanDerWaalsContact OG-CD 3.26Å; S47-E115 PolarHBondContact OG-OE1 3.05Å; S47-E115 PolarHBondContact OG-OE2 3.43Å; S47-E115 VanDerWaalsContact OG-OE2 3.11Å; S47-L118 VanDerWaalsContact CB-CD2 3.44Å; S47-L118 VanDerWaalsContact OG-CD2 3.3Å; S47-L118 WeakPolarHBondContact OG-CD2 3.31Å
48	G	98.6	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.			trans	107.2	-162.2	-176.8	0	0	0	0	0	113.4	L46 G50 T52 E98 W291	L46-G48 VanDerWaalsContact CD2-O 3.25Å; L46-G48 WeakPolarHBondContact CD2-O 3.43Å; G48-G50 VanDerWaalsContact C-N 3.26Å; G48-G50 PolarHBondContact O-N 2.95Å; G48-T52 PolarHBondContact N-OG1 3.23Å; G48-T52 WeakPolarHBondContact O-CG2 3.4Å; G48-E98 WeakPolarHBondContact CA-OE1 3.44Å; G48-W291 PolarHBondContact O-NE1 3.17Å
49	G	96.5	Very high	98.6	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.01	4%	0.043	C	C	.	.	S	Bend	trans	49.9	39	-165.7	0	0	0	0	0	114.2	E86 T93 T94 W136 W291	G49-E86 WeakPolarHBondContact CA-OE2 3.2Å; G49-E86 PolarHBondContact N-OE2 2.76Å; G49-T93 CarbonylContact C-O 3.54Å; G49-T93 WeakPolarHBondContact CA-O 3.32Å; G49-T94 WeakPolarHBondContact O-CB 3.41Å; G49-T94 PolarHBondContact O-OG1 2.96Å; G49-W136 VanDerWaalsContact CA-NE1 3.28Å; G49-W291 VanDerWaalsContact O-CZ2 3.25Å; G49-W291 WeakPolarHBondContact O-CZ2 3.25Å; G49-W291 PolarHBondContact O-NE1 3.48Å
50	G	97	Very high	98.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.045	C	C	.	.	S	Bend	cis	-155.3	140.1	22.7	0	0	0	0	0	111.3	G48 T52 T93 D95	G48-G50 VanDerWaalsContact C-N 3.26Å; G48-G50 PolarHBondContact O-N 2.95Å; G50-T52 PolarHBondContact O-N 2.95Å; G50-T52 VanDerWaalsContact O-N 3.15Å; G50-T93 WeakPolarHBondContact CA-OG1 3.18Å; G50-T93 PolarHBondContact N-O 3.03Å; G50-D95 VanDerWaalsContact O-CB 3.26Å; G50-D95 WeakPolarHBondContact O-CB 3.49Å; G50-D95 PolarHBondContact O-N 2.72Å
51	A	98.6	Very high	98.6	Very high	5 Å²	5	11.7 Å²	11.7	4%	0.041	7%	0.067	C	C	.	.			trans	55.2	28.2	176.9	0	0	0	0	0	116.8	S53 R54 E98 Y114	A51-S53 PolarHBondContact O-N 3.31Å; A51-R54 HydrophobicContact CB-CB 4.28Å; A51-R54 WeakPolarHBondContact O-CB 3Å; A51-R54 PolarHBondContact O-N 2.87Å; A51-R54 VanDerWaalsContact O-N 3.12Å; A51-E98 WeakPolarHBondContact CA-OE1 3.26Å; A51-E98 HydrophobicContact CB-CG 4.31Å; A51-E98 PolarHBondContact N-OE1 2.82Å; A51-Y114 WeakPolarHBondContact CA-OH 3.39Å; A51-Y114 WeakPolarHBondContact CB-OH 3.41Å
52	T	98.9	Very high	98.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.9	-172.9	64.6	0	0	0	0	113	G48 G50 W291 N292 V294 S296 Y297	G48-T52 PolarHBondContact N-OG1 3.23Å; G48-T52 WeakPolarHBondContact O-CG2 3.4Å; G50-T52 PolarHBondContact O-N 2.95Å; G50-T52 VanDerWaalsContact O-N 3.15Å; T52-W291 HydrophobicContact CG2-CZ2 4.04Å; T52-N292 HydrophobicContact CG2-CB 3.84Å; T52-V294 VanDerWaalsContact O-O 3.05Å; T52-S296 CarbonylContact O-C 3.43Å; T52-S296 VanDerWaalsContact O-C 3.27Å; T52-S296 WeakPolarHBondContact O-CA 3.43Å; T52-S296 WeakPolarHBondContact O-CB 3.48Å; T52-S296 PolarHBondContact O-N 2.97Å; T52-Y297 HydrophobicContact CG2-CD1 4.48Å; T52-Y297 HydrophobicContact CG2-CE1 4.27Å; T52-Y297 WeakPolarHBondContact O-CD1 3.37Å
53	S	98.9	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	8.2	178.1	-66.8	0	0	0	0	113.5	S47 A51 L55 L56	S47-S53 WeakPolarHBondContact OG-CB 3.34Å; S47-S53 PolarHBondContact OG-OG 3.31Å; A51-S53 PolarHBondContact O-N 3.31Å; S53-L55 PolarHBondContact O-N 3.39Å; S53-L56 WeakPolarHBondContact O-CB 3.45Å; S53-L56 PolarHBondContact O-N 3.1Å; S53-L56 VanDerWaalsContact O-N 3.08Å
54	R	98.9	Very high	98.6	Very high	9 Å²	9	19.6 Å²	19.6	3%	0.034	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-41.6	-168.3	-178.5	63	-167.9	83.4	0.4	114.7	A51 V57 S296 E486 A487 F490 A491	A51-R54 HydrophobicContact CB-CB 4.28Å; A51-R54 WeakPolarHBondContact O-CB 3Å; A51-R54 PolarHBondContact O-N 2.87Å; A51-R54 VanDerWaalsContact O-N 3.12Å; R54-V57 WeakPolarHBondContact O-CG2 3.46Å; R54-S296 PolarHBondContact N-O 3.26Å; R54-E486 IonicContact CZ-OE1 3.7Å; R54-E486 IonicContact CZ-OE2 3.84Å; R54-E486 IonicContact NE-OE1 3.15Å; R54-E486 PolarHBondContact NE-OE1 3.29Å; R54-E486 IonicContact NE-OE2 2.68Å; R54-E486 PolarHBondContact NE-OE2 2.56Å; R54-E486 VanDerWaalsContact NH2-CG 3.32Å; R54-E486 IonicContact NH2-OE1 3.46Å; R54-E486 PolarHBondContact NH2-OE1 2.7Å; R54-E486 IonicContact NH2-OE2 3.35Å; R54-E486 PolarHBondContact NH2-OE2 2.97Å; R54-E486 VanDerWaalsContact NH2-OE2 3.1Å; R54-A487 PolarHBondContact NH2-O 2.85Å; R54-F490 PolarHBondContact NE-O 3.29Å; R54-F490 PolarHBondContact NH2-O 2.99Å; R54-A491 HydrophobicContact CG-CB 4.43Å
55	L	98.9	Very high	98.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.1	-177.1	-59.9	179.6	0	0	0	113.3	S53 N58 Y59 S296 Y298 P314 W315	S53-L55 PolarHBondContact O-N 3.39Å; L55-N58 PolarHBondContact O-OD1 3Å; L55-N58 VanDerWaalsContact O-OD1 3.04Å; L55-Y59 VanDerWaalsContact O-CD2 3.27Å; L55-Y59 WeakPolarHBondContact O-CD2 3.43Å; L55-Y59 WeakPolarHBondContact O-CE2 3.44Å; L55-S296 VanDerWaalsContact CB-O 3.3Å; L55-S296 WeakPolarHBondContact CB-O 3.31Å; L55-S296 PolarHBondContact N-O 2.7Å; L55-Y298 HydrophobicContact CD1-CD1 4.08Å; L55-Y298 HydrophobicContact CD1-CE1 4.15Å; L55-Y298 HydrophobicContact CD1-CG 4.47Å; L55-P314 HydrophobicContact CB-CG 4.16Å; L55-P314 WeakPolarHBondContact O-CG 3.35Å; L55-W315 HydrophobicContact CD1-CZ3 4.48Å
56	L	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-35.7	179.9	-178.8	58.3	0	0	0	111.6	S53 N58 Y59 R64 I67 L68 W117 V294 A311	S53-L56 WeakPolarHBondContact O-CB 3.45Å; S53-L56 PolarHBondContact O-N 3.1Å; S53-L56 VanDerWaalsContact O-N 3.08Å; L56-N58 VanDerWaalsContact C-N 3.26Å; L56-N58 PolarHBondContact O-N 2.94Å; L56-Y59 HydrophobicContact CD1-CD2 4.4Å; L56-Y59 PolarHBondContact O-N 3.25Å; L56-R64 HydrophobicContact CD1-CG 4.44Å; L56-R64 WeakPolarHBondContact O-CD 3.45Å; L56-I67 HydrophobicContact CD1-CB 4.26Å; L56-I67 HydrophobicContact CD1-CD1 3.85Å; L56-I67 HydrophobicContact CD1-CG2 3.78Å; L56-L68 HydrophobicContact CD2-CD2 4.41Å; L56-W117 HydrophobicContact CD2-CH2 4.02Å; L56-W117 HydrophobicContact CD2-CZ3 4.11Å; L56-W117 HydrophobicContact CG-CH2 4.05Å; L56-W117 HydrophobicContact CG-CZ3 4.37Å; L56-V294 HydrophobicContact CD2-CG1 4.24Å; L56-A311 HydrophobicContact CD1-CB 4.46Å
57	V	98.6	Very high	98.6	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.036	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.2	-166.7	-60.6	0	0	0	0	113.6	R54 R64 Y114 W117 F484	R54-V57 WeakPolarHBondContact O-CG2 3.46Å; V57-R64 PolarHBondContact O-NH1 3.41Å; V57-Y114 VanDerWaalsContact CG1-CB 3.43Å; V57-Y114 HydrophobicContact CG1-CD1 4.16Å; V57-Y114 HydrophobicContact CG1-CG 3.89Å; V57-W117 HydrophobicContact CG1-CE3 4.33Å; V57-W117 HydrophobicContact CG1-CZ3 4.28Å; V57-F484 HydrophobicContact CB-CD1 4.25Å; V57-F484 HydrophobicContact CB-CD2 4.04Å; V57-F484 HydrophobicContact CB-CE1 3.92Å; V57-F484 HydrophobicContact CB-CE2 3.72Å; V57-F484 HydrophobicContact CB-CG 4.31Å; V57-F484 HydrophobicContact CB-CZ 3.66Å; V57-F484 HydrophobicContact CG1-CD1 4.18Å; V57-F484 HydrophobicContact CG1-CE1 3.79Å; V57-F484 HydrophobicContact CG1-CE2 4.49Å; V57-F484 HydrophobicContact CG1-CZ 3.98Å; V57-F484 HydrophobicContact CG2-CD2 4.37Å; V57-F484 HydrophobicContact CG2-CE2 4.49Å
58	N	98.3	Very high	98.6	Very high	45 Å²	45	22.7 Å²	22.7	24%	0.241	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	11.2	-177	66.8	-43.8	0	0	0	113.9	L55 L56 A60 P314 P488 N489	L55-N58 PolarHBondContact O-OD1 3Å; L55-N58 VanDerWaalsContact O-OD1 3.04Å; L56-N58 VanDerWaalsContact C-N 3.26Å; L56-N58 PolarHBondContact O-N 2.94Å; N58-A60 PolarHBondContact O-N 2.84Å; N58-P314 WeakPolarHBondContact ND2-CG 3.45Å; N58-P314 WeakPolarHBondContact OD1-CB 3.49Å; N58-P314 WeakPolarHBondContact OD1-CG 3.42Å; N58-P488 HydrophobicContact CB-CB 3.86Å; N58-P488 WeakPolarHBondContact ND2-CB 3.39Å; N58-N489 PolarHBondContact ND2-OD1 3.41Å
59	Y	98.8	Very high	98.6	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.02	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-58.7	136.7	165.7	-94.3	-105.7	0	0	0	110.5	L55 L56 I67 A311 Q312 E313 P314 N318	L55-Y59 VanDerWaalsContact O-CD2 3.27Å; L55-Y59 WeakPolarHBondContact O-CD2 3.43Å; L55-Y59 WeakPolarHBondContact O-CE2 3.44Å; L56-Y59 HydrophobicContact CD1-CD2 4.4Å; L56-Y59 PolarHBondContact O-N 3.25Å; Y59-I67 HydrophobicContact CD1-CD1 3.86Å; Y59-I67 HydrophobicContact CE1-CD1 3.93Å; Y59-I67 HydrophobicContact CG-CD1 4.22Å; Y59-A311 HydrophobicContact CE2-CB 4.16Å; Y59-A311 WeakPolarHBondContact CE2-O 3.28Å; Y59-A311 VanDerWaalsContact OH-CA 3.29Å; Y59-A311 WeakPolarHBondContact OH-CA 3.39Å; Y59-A311 PolarHBondContact OH-O 2.77Å; Y59-Q312 PolarHBondContact OH-N 3.38Å; Y59-E313 VanDerWaalsContact CZ-C 3.5Å; Y59-E313 WeakPolarHBondContact OH-CA 3.36Å; Y59-E313 PolarHBondContact OH-N 3.05Å; Y59-P314 HydrophobicContact CD2-CB 3.59Å; Y59-P314 HydrophobicContact CD2-CG 4.48Å; Y59-P314 HydrophobicContact CE2-CB 3.83Å; Y59-P314 HydrophobicContact CE2-CG 4.35Å; Y59-P314 HydrophobicContact CG-CB 4.21Å; Y59-N318 WeakPolarHBondContact CE1-O 3.46Å; Y59-N318 PolarHBondContact OH-O 2.97Å
60	A	98.5	Very high	98.7	Very high	53 Å²	53	24.2 Å²	24.2	44%	0.438	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-65.8	148.2	171.3	0	0	0	0	0	111.1	N58 Y63 R64	N58-A60 PolarHBondContact O-N 2.84Å; A60-Y63 HydrophobicContact CB-CD2 4.49Å; A60-Y63 WeakPolarHBondContact O-CB 3.43Å; A60-Y63 PolarHBondContact O-N 3.35Å; A60-R64 PolarHBondContact O-N 3.31Å
61	E	98.4	Very high	98.8	Very high	100 Å²	100	24.2 Å²	24.2	47%	0.467	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	145.7	164.2	-63.2	-58.2	163	0	0	110	R64 S65	E61-R64 IonicContact OE1-CZ 2.91Å; E61-R64 IonicContact OE1-NE 2.87Å; E61-R64 PolarHBondContact OE1-NE 3.23Å; E61-R64 IonicContact OE1-NH2 3.24Å; E61-R64 PolarHBondContact OE1-NH2 2.72Å; E61-S65 WeakPolarHBondContact OE2-CB 3.44Å; E61-S65 PolarHBondContact OE2-N 3.19Å; E61-S65 VanDerWaalsContact OE2-N 3.12Å
62	P	98.6	Very high	98.8	Very high	67 Å²	67	24 Å²	24	44%	0.435	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.6	-4.4	7.9	35.9	-36.8	0	0	0	114.6	R64 S65 Q66	P62-R64 PolarHBondContact O-N 3.13Å; P62-S65 PolarHBondContact O-N 2.71Å; P62-Q66 VanDerWaalsContact O-CG 3.26Å; P62-Q66 WeakPolarHBondContact O-CG 3.11Å; P62-Q66 PolarHBondContact O-N 3.42Å
63	Y	98.8	Very high	98.8	Very high	65 Å²	65	27.7 Å²	27.7	26%	0.255	14%	0.144	S	C	.	.	H	α-helix	trans	-63.1	-40.8	-167.6	-48.1	-58.4	0	0	0	112.6	A60 S65 Q66 I67 Y319 P464	A60-Y63 HydrophobicContact CB-CD2 4.49Å; A60-Y63 WeakPolarHBondContact O-CB 3.43Å; A60-Y63 PolarHBondContact O-N 3.35Å; Y63-S65 PolarHBondContact O-N 3.04Å; Y63-Q66 WeakPolarHBondContact O-CB 3.27Å; Y63-Q66 PolarHBondContact O-N 2.93Å; Y63-Q66 VanDerWaalsContact O-N 3.14Å; Y63-I67 WeakPolarHBondContact O-CD1 3.23Å; Y63-I67 WeakPolarHBondContact O-CG1 3.37Å; Y63-I67 PolarHBondContact O-N 3.19Å; Y63-Y319 HydrophobicContact CD1-CE1 4.28Å; Y63-P464 HydrophobicContact CE1-CG 4.18Å; Y63-P464 HydrophobicContact CE2-CG 3.97Å; Y63-P464 WeakPolarHBondContact OH-CG 3.39Å
64	R	98.9	Very high	98.8	Very high	55 Å²	55	30.3 Å²	30.3	21%	0.208	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-48.4	175.5	-164.7	176.3	59.9	176.7	-1	111.9	L56 V57 A60 E61 P62 Q66 I67 L68 W117	L56-R64 HydrophobicContact CD1-CG 4.44Å; L56-R64 WeakPolarHBondContact O-CD 3.45Å; V57-R64 PolarHBondContact O-NH1 3.41Å; A60-R64 PolarHBondContact O-N 3.31Å; E61-R64 IonicContact OE1-CZ 2.91Å; E61-R64 IonicContact OE1-NE 2.87Å; E61-R64 PolarHBondContact OE1-NE 3.23Å; E61-R64 IonicContact OE1-NH2 3.24Å; E61-R64 PolarHBondContact OE1-NH2 2.72Å; P62-R64 PolarHBondContact O-N 3.13Å; R64-Q66 VanDerWaalsContact C-N 3.31Å; R64-Q66 PolarHBondContact O-N 3.08Å; R64-I67 PolarHBondContact O-N 3.07Å; R64-L68 WeakPolarHBondContact O-CG 3.46Å; R64-L68 PolarHBondContact O-N 3.12Å; R64-W117 HydrophobicContact CG-CH2 4.34Å; R64-W117 HydrophobicContact CG-CZ2 4.21Å
65	S	98.9	Very high	98.8	Very high	42 Å²	42	32.4 Å²	32.4	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-65.5	-32.3	176.2	-176.6	0	0	0	0	113	E61 P62 Y63 D69 R125	E61-S65 WeakPolarHBondContact OE2-CB 3.44Å; E61-S65 PolarHBondContact OE2-N 3.19Å; E61-S65 VanDerWaalsContact OE2-N 3.12Å; P62-S65 PolarHBondContact O-N 2.71Å; Y63-S65 PolarHBondContact O-N 3.04Å; S65-D69 PolarHBondContact O-N 3.09Å; S65-R125 PolarHBondContact O-NH2 2.96Å; S65-R125 PolarHBondContact OG-NH2 3.32Å
66	Q	98.9	Very high	98.8	Very high	21 Å²	21	33 Å²	33	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-43.2	176.8	-70.7	170.3	-11.3	0	0	112	P62 Y63 R64 L68 D69 Y70 Y319 F460	P62-Q66 VanDerWaalsContact O-CG 3.26Å; P62-Q66 WeakPolarHBondContact O-CG 3.11Å; P62-Q66 PolarHBondContact O-N 3.42Å; Y63-Q66 WeakPolarHBondContact O-CB 3.27Å; Y63-Q66 PolarHBondContact O-N 2.93Å; Y63-Q66 VanDerWaalsContact O-N 3.14Å; R64-Q66 VanDerWaalsContact C-N 3.31Å; R64-Q66 PolarHBondContact O-N 3.08Å; Q66-L68 VanDerWaalsContact C-N 3.33Å; Q66-L68 PolarHBondContact O-N 2.66Å; Q66-D69 WeakPolarHBondContact O-CB 3.36Å; Q66-D69 PolarHBondContact O-N 3.43Å; Q66-D69 VanDerWaalsContact O-N 3.16Å; Q66-Y70 VanDerWaalsContact O-CD2 3.25Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.39Å; Q66-Y70 PolarHBondContact O-N 3.06Å; Q66-Y319 HydrophobicContact CB-CE1 4.47Å; Q66-Y319 PolarHBondContact OE1-OH 3.07Å; Q66-F460 HydrophobicContact CB-CD2 3.63Å; Q66-F460 HydrophobicContact CB-CE2 3.76Å; Q66-F460 HydrophobicContact CB-CG 4.22Å; Q66-F460 HydrophobicContact CB-CZ 4.44Å; Q66-F460 HydrophobicContact CG-CB 4.35Å; Q66-F460 HydrophobicContact CG-CD1 3.93Å; Q66-F460 HydrophobicContact CG-CD2 3.56Å; Q66-F460 HydrophobicContact CG-CE1 4.06Å; Q66-F460 HydrophobicContact CG-CE2 3.7Å; Q66-F460 HydrophobicContact CG-CG 3.68Å; Q66-F460 HydrophobicContact CG-CZ 3.94Å
67	I	98.9	Very high	98.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-49.1	173.7	-68.2	157.2	0	0	0	110	L56 Y59 Y63 R64 D69 Y70 L71 M309 A311 Y319	L56-I67 HydrophobicContact CD1-CB 4.26Å; L56-I67 HydrophobicContact CD1-CD1 3.85Å; L56-I67 HydrophobicContact CD1-CG2 3.78Å; Y59-I67 HydrophobicContact CD1-CD1 3.86Å; Y59-I67 HydrophobicContact CE1-CD1 3.93Å; Y59-I67 HydrophobicContact CG-CD1 4.22Å; Y63-I67 WeakPolarHBondContact O-CD1 3.23Å; Y63-I67 WeakPolarHBondContact O-CG1 3.37Å; Y63-I67 PolarHBondContact O-N 3.19Å; R64-I67 PolarHBondContact O-N 3.07Å; I67-D69 VanDerWaalsContact C-N 3.27Å; I67-D69 PolarHBondContact O-N 3.29Å; I67-Y70 PolarHBondContact O-N 3.46Å; I67-Y70 VanDerWaalsContact O-N 3.11Å; I67-L71 HydrophobicContact CG2-CD1 4.16Å; I67-L71 WeakPolarHBondContact O-CG 3.47Å; I67-L71 PolarHBondContact O-N 3.24Å; I67-L71 VanDerWaalsContact O-N 3.11Å; I67-M309 HydrophobicContact CB-CE 4.28Å; I67-M309 HydrophobicContact CG1-CE 4.03Å; I67-M309 HydrophobicContact CG2-CE 3.89Å; I67-M309 HydrophobicContact CG2-SD 4.03Å; I67-A311 HydrophobicContact CD1-CB 3.69Å; I67-A311 HydrophobicContact CG1-CB 4.35Å; I67-A311 HydrophobicContact CG2-CB 4.47Å; I67-Y319 HydrophobicContact CD1-CD1 3.97Å; I67-Y319 HydrophobicContact CD1-CG 4.04Å; I67-Y319 HydrophobicContact CG1-CD1 3.81Å; I67-Y319 HydrophobicContact CG1-CD2 4.12Å; I67-Y319 HydrophobicContact CG1-CE1 4.32Å; I67-Y319 HydrophobicContact CG1-CG 3.7Å
68	L	98.9	Very high	98.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-32.6	177.7	-67	166.6	0	0	0	112.8	L56 R64 Q66 L71 F72 W117 L118 E121 R125	L56-L68 HydrophobicContact CD2-CD2 4.41Å; R64-L68 WeakPolarHBondContact O-CG 3.46Å; R64-L68 PolarHBondContact O-N 3.12Å; Q66-L68 VanDerWaalsContact C-N 3.33Å; Q66-L68 PolarHBondContact O-N 2.66Å; L68-L71 PolarHBondContact O-N 2.61Å; L68-F72 HydrophobicContact CD2-CD2 4.11Å; L68-F72 HydrophobicContact CD2-CE2 3.85Å; L68-F72 PolarHBondContact O-N 2.97Å; L68-W117 HydrophobicContact CD1-CH2 3.99Å; L68-W117 HydrophobicContact CD1-CZ2 3.76Å; L68-W117 HydrophobicContact CD2-CH2 4.16Å; L68-W117 HydrophobicContact CG-CH2 4.48Å; L68-L118 HydrophobicContact CD2-CD1 3.74Å; L68-E121 HydrophobicContact CD1-CB 3.93Å; L68-E121 HydrophobicContact CD1-CG 3.92Å; L68-E121 HydrophobicContact CD2-CB 4.27Å; L68-R125 VanDerWaalsContact CB-CZ 3.42Å; L68-R125 WeakPolarHBondContact O-CD 3.3Å
69	D	98.9	Very high	98.8	Very high	17 Å²	17	30.9 Å²	30.9	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-65.7	-43	172.6	-87	21.9	0	0	0	111.3	S65 Q66 I67 L71 K73 F76 R125 F460	S65-D69 PolarHBondContact O-N 3.09Å; Q66-D69 WeakPolarHBondContact O-CB 3.36Å; Q66-D69 PolarHBondContact O-N 3.43Å; Q66-D69 VanDerWaalsContact O-N 3.16Å; I67-D69 VanDerWaalsContact C-N 3.27Å; I67-D69 PolarHBondContact O-N 3.29Å; D69-L71 VanDerWaalsContact C-N 3.27Å; D69-L71 PolarHBondContact O-N 3.04Å; D69-K73 HydrophobicContact CB-CB 4.18Å; D69-K73 HydrophobicContact CB-CD 4.01Å; D69-K73 WeakPolarHBondContact O-CB 3.35Å; D69-K73 PolarHBondContact O-N 3.43Å; D69-K73 VanDerWaalsContact O-N 3.08Å; D69-K73 WeakPolarHBondContact OD2-CD 3.44Å; D69-K73 IonicContact OD2-NZ 3.12Å; D69-K73 PolarHBondContact OD2-NZ 3.34Å; D69-F76 HydrophobicContact CB-CD1 4.27Å; D69-F76 HydrophobicContact CB-CE1 4.19Å; D69-F76 WeakPolarHBondContact O-CD1 3.26Å; D69-R125 IonicContact OD1-CZ 3.44Å; D69-R125 IonicContact OD1-NE 3.49Å; D69-R125 PolarHBondContact OD1-NE 3.36Å; D69-R125 IonicContact OD1-NH2 2.82Å; D69-R125 PolarHBondContact OD1-NH2 3.29Å; D69-F460 HydrophobicContact CB-CE2 3.82Å; D69-F460 HydrophobicContact CB-CZ 4.11Å
70	Y	98.9	Very high	98.8	Very high	15 Å²	15	30.6 Å²	30.6	6%	0.059	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-35	175	-80.1	-66.9	0	0	0	113	Q66 I67 F76 G77 A78 Y319 V321 W326 S459 F460	Q66-Y70 VanDerWaalsContact O-CD2 3.25Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.39Å; Q66-Y70 PolarHBondContact O-N 3.06Å; I67-Y70 PolarHBondContact O-N 3.46Å; I67-Y70 VanDerWaalsContact O-N 3.11Å; Y70-F76 HydrophobicContact CD1-CD1 4.04Å; Y70-F76 AromaticContact CD1-CE1 3.66Å; Y70-F76 HydrophobicContact CD1-CE1 3.66Å; Y70-F76 HydrophobicContact CD2-CE1 4.36Å; Y70-F76 HydrophobicContact CE1-CD1 4.35Å; Y70-F76 AromaticContact CE1-CE1 3.63Å; Y70-F76 HydrophobicContact CE1-CE1 3.63Å; Y70-F76 HydrophobicContact CE1-CZ 4.33Å; Y70-F76 HydrophobicContact CE2-CE1 4.35Å; Y70-F76 HydrophobicContact CG-CD1 4.48Å; Y70-F76 HydrophobicContact CG-CE1 4.03Å; Y70-F76 AromaticContact CZ-CE1 4Å; Y70-G77 CarbonylContact O-C 3.56Å; Y70-G77 WeakPolarHBondContact O-CA 3.48Å; Y70-A78 PolarHBondContact O-N 3.06Å; Y70-Y319 HydrophobicContact CD2-CE2 4.23Å; Y70-Y319 AromaticContact CE2-CE2 3.95Å; Y70-Y319 HydrophobicContact CE2-CE2 3.95Å; Y70-V321 HydrophobicContact CD1-CG1 3.92Å; Y70-V321 HydrophobicContact CD1-CG2 4.18Å; Y70-V321 HydrophobicContact CD2-CG2 3.72Å; Y70-V321 HydrophobicContact CE1-CG1 4.04Å; Y70-V321 HydrophobicContact CE1-CG2 4.03Å; Y70-V321 HydrophobicContact CE2-CG2 3.54Å; Y70-V321 HydrophobicContact CG-CG1 4.33Å; Y70-V321 HydrophobicContact CG-CG2 4.04Å; Y70-W326 HydrophobicContact CD1-CH2 4.4Å; Y70-W326 HydrophobicContact CD1-CZ2 4.47Å; Y70-W326 HydrophobicContact CE1-CH2 4.04Å; Y70-W326 AromaticContact CE1-CZ2 3.99Å; Y70-W326 HydrophobicContact CE1-CZ2 3.99Å; Y70-S459 WeakPolarHBondContact OH-CA 3.42Å; Y70-F460 HydrophobicContact CD2-CD2 4.34Å; Y70-F460 AromaticContact CE2-CD2 3.66Å; Y70-F460 HydrophobicContact CE2-CD2 3.66Å; Y70-F460 HydrophobicContact CE2-CE2 4.39Å; Y70-F460 PolarHBondContact OH-N 3.19Å
71	L	99	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-78.5	-50.5	180	-65.3	170.3	0	0	0	112.6	I67 L68 D69 S79 L80 L293 V294 M309 I325	I67-L71 HydrophobicContact CG2-CD1 4.16Å; I67-L71 WeakPolarHBondContact O-CG 3.47Å; I67-L71 PolarHBondContact O-N 3.24Å; I67-L71 VanDerWaalsContact O-N 3.11Å; L68-L71 PolarHBondContact O-N 2.61Å; D69-L71 VanDerWaalsContact C-N 3.27Å; D69-L71 PolarHBondContact O-N 3.04Å; L71-S79 PolarHBondContact O-N 2.77Å; L71-S79 VanDerWaalsContact O-N 3.15Å; L71-L80 PolarHBondContact O-N 2.83Å; L71-L293 HydrophobicContact CD1-CD1 4.26Å; L71-L293 HydrophobicContact CD1-CD2 4.24Å; L71-L293 HydrophobicContact CD1-CG 4.07Å; L71-L293 HydrophobicContact CD2-CD1 3.89Å; L71-L293 HydrophobicContact CD2-CG 4.28Å; L71-L293 HydrophobicContact CG-CD1 4.47Å; L71-V294 HydrophobicContact CD1-CB 4.3Å; L71-V294 HydrophobicContact CD1-CG1 4.36Å; L71-M309 HydrophobicContact CD1-SD 4.49Å; L71-M309 HydrophobicContact CD2-CG 4.08Å; L71-M309 HydrophobicContact CD2-SD 3.87Å; L71-M309 HydrophobicContact CG-SD 3.93Å; L71-I325 HydrophobicContact CD2-CD1 3.91Å
72	F	98.9	Very high	98.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-116.7	-18.6	-162.8	-56.7	-59.9	0	0	0	115.6	L68 P74 L80 L83 L118 A122 R125 I129 L293	L68-F72 HydrophobicContact CD2-CD2 4.11Å; L68-F72 HydrophobicContact CD2-CE2 3.85Å; L68-F72 PolarHBondContact O-N 2.97Å; F72-P74 VanDerWaalsContact O-CD 3.3Å; F72-P74 WeakPolarHBondContact O-CD 3.42Å; F72-L80 HydrophobicContact CD1-CB 4.33Å; F72-L80 HydrophobicContact CD1-CD1 4.45Å; F72-L80 HydrophobicContact CE1-CD1 4.14Å; F72-L83 HydrophobicContact CE1-CB 4.37Å; F72-L83 HydrophobicContact CE1-CD1 4.32Å; F72-L83 HydrophobicContact CE1-CD2 4.46Å; F72-L83 HydrophobicContact CZ-CD1 4.17Å; F72-L83 HydrophobicContact CZ-CD2 4.26Å; F72-L118 HydrophobicContact CE2-CD1 3.84Å; F72-L118 HydrophobicContact CZ-CD1 4.19Å; F72-A122 HydrophobicContact CB-CB 4.48Å; F72-A122 HydrophobicContact CD1-CB 3.78Å; F72-A122 HydrophobicContact CD2-CB 3.82Å; F72-A122 HydrophobicContact CE1-CB 3.85Å; F72-A122 HydrophobicContact CE2-CB 3.87Å; F72-A122 HydrophobicContact CG-CB 3.76Å; F72-A122 HydrophobicContact CZ-CB 3.87Å; F72-R125 HydrophobicContact CB-CB 4.01Å; F72-I129 HydrophobicContact CD1-CD1 3.66Å; F72-I129 HydrophobicContact CE1-CD1 3.92Å; F72-L293 HydrophobicContact CE1-CD1 4.22Å; F72-L293 HydrophobicContact CZ-CD1 4.12Å; F72-L293 HydrophobicContact CZ-CD2 3.78Å
73	K	98.9	Very high	98.9	Very high	78 Å²	78	20.2 Å²	20.2	34%	0.339	10%	0.1	S	C	.	.	S	Bend	trans	-69.8	122.9	-176.1	-173.5	173.2	-176.1	175.4	0	110.1	D69 F76 S79	D69-K73 HydrophobicContact CB-CB 4.18Å; D69-K73 HydrophobicContact CB-CD 4.01Å; D69-K73 WeakPolarHBondContact O-CB 3.35Å; D69-K73 PolarHBondContact O-N 3.43Å; D69-K73 VanDerWaalsContact O-N 3.08Å; D69-K73 WeakPolarHBondContact OD2-CD 3.44Å; D69-K73 IonicContact OD2-NZ 3.12Å; D69-K73 PolarHBondContact OD2-NZ 3.34Å; K73-F76 HydrophobicContact CB-CB 3.94Å; K73-F76 HydrophobicContact CB-CG 4.45Å; K73-F76 HydrophobicContact CD-CB 4.11Å; K73-F76 HydrophobicContact CD-CD2 4.26Å; K73-F76 HydrophobicContact CD-CG 4.09Å; K73-F76 HydrophobicContact CG-CB 3.99Å; K73-F76 WeakPolarHBondContact O-CB 3.49Å; K73-F76 PolarHBondContact O-N 3.3Å; K73-S79 PolarHBondContact O-OG 3.22Å
74	P	98.8	Very high	98.9	Very high	55 Å²	55	17.2 Å²	17.2	36%	0.357	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	143.3	178.4	-24.8	34.8	0	0	0	112	F72 F76 R125 N126	F72-P74 VanDerWaalsContact O-CD 3.3Å; F72-P74 WeakPolarHBondContact O-CD 3.42Å; P74-F76 VanDerWaalsContact C-N 3.29Å; P74-F76 PolarHBondContact O-N 3.15Å; P74-R125 VanDerWaalsContact CD-O 3.27Å; P74-R125 WeakPolarHBondContact CD-O 3.33Å; P74-N126 HydrophobicContact CG-CB 4.16Å
75	N	98.4	Very high	98.9	Very high	54 Å²	54	14.6 Å²	14.6	29%	0.289	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	42.8	-179.6	-52.2	-71.8	0	0	0	112.7	S79 T454 Q456	N75-S79 PolarHBondContact N-OG 3Å; N75-T454 PolarHBondContact OD1-OG1 3.43Å; N75-T454 VanDerWaalsContact OD1-OG1 3.12Å; N75-Q456 WeakPolarHBondContact O-CB 3.3Å
76	F	98.9	Very high	98.9	Very high	14 Å²	14	12.7 Å²	12.7	6%	0.061	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-73.7	179.4	-170.4	-94.9	0	0	0	112.5	D69 Y70 K73 P74 S79 W326 Q333 Q456 G458 F460	D69-F76 HydrophobicContact CB-CD1 4.27Å; D69-F76 HydrophobicContact CB-CE1 4.19Å; D69-F76 WeakPolarHBondContact O-CD1 3.26Å; Y70-F76 HydrophobicContact CD1-CD1 4.04Å; Y70-F76 AromaticContact CD1-CE1 3.66Å; Y70-F76 HydrophobicContact CD1-CE1 3.66Å; Y70-F76 HydrophobicContact CD2-CE1 4.36Å; Y70-F76 HydrophobicContact CE1-CD1 4.35Å; Y70-F76 AromaticContact CE1-CE1 3.63Å; Y70-F76 HydrophobicContact CE1-CE1 3.63Å; Y70-F76 HydrophobicContact CE1-CZ 4.33Å; Y70-F76 HydrophobicContact CE2-CE1 4.35Å; Y70-F76 HydrophobicContact CG-CD1 4.48Å; Y70-F76 HydrophobicContact CG-CE1 4.03Å; Y70-F76 AromaticContact CZ-CE1 4Å; K73-F76 HydrophobicContact CB-CB 3.94Å; K73-F76 HydrophobicContact CB-CG 4.45Å; K73-F76 HydrophobicContact CD-CB 4.11Å; K73-F76 HydrophobicContact CD-CD2 4.26Å; K73-F76 HydrophobicContact CD-CG 4.09Å; K73-F76 HydrophobicContact CG-CB 3.99Å; K73-F76 WeakPolarHBondContact O-CB 3.49Å; K73-F76 PolarHBondContact O-N 3.3Å; P74-F76 VanDerWaalsContact C-N 3.29Å; P74-F76 PolarHBondContact O-N 3.15Å; F76-S79 PolarHBondContact N-OG 3.11Å; F76-W326 WeakPolarHBondContact O-CZ3 3.5Å; F76-Q333 PolarHBondContact O-NE2 2.84Å; F76-Q456 VanDerWaalsContact O-O 3.12Å; F76-G458 VanDerWaalsContact CD2-CA 3.42Å; F76-G458 WeakPolarHBondContact O-CA 3.42Å; F76-G458 PolarHBondContact O-N 2.7Å; F76-F460 HydrophobicContact CE1-CD2 4.05Å; F76-F460 AromaticContact CE1-CE2 3.58Å; F76-F460 HydrophobicContact CE1-CE2 3.58Å; F76-F460 HydrophobicContact CE1-CZ 4.35Å; F76-F460 HydrophobicContact CE2-CE2 4.35Å; F76-F460 HydrophobicContact CE2-CZ 4.42Å; F76-F460 AromaticContact CZ-CD2 3.71Å; F76-F460 HydrophobicContact CZ-CD2 3.71Å; F76-F460 AromaticContact CZ-CE2 3.32Å; F76-F460 HydrophobicContact CZ-CE2 3.32Å; F76-F460 HydrophobicContact CZ-CG 4.46Å; F76-F460 AromaticContact CZ-CZ 3.78Å; F76-F460 HydrophobicContact CZ-CZ 3.78Å
77	G	98.8	Very high	98.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-115	-127.1	175.5	0	0	0	0	0	110.4	Y70 S79 A329 Q333	Y70-G77 CarbonylContact O-C 3.56Å; Y70-G77 WeakPolarHBondContact O-CA 3.48Å; G77-S79 PolarHBondContact O-N 3.08Å; G77-S79 PolarHBondContact O-OG 3.1Å; G77-A329 WeakPolarHBondContact O-CB 3.39Å; G77-Q333 PolarHBondContact O-NE2 2.92Å; G77-Q333 VanDerWaalsContact O-NE2 3.1Å
78	A	98.9	Very high	98.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-59	-25.9	178.1	0	0	0	0	0	112.7	Y70 L80 I325 T328 T332	Y70-A78 PolarHBondContact O-N 3.06Å; A78-L80 HydrophobicContact CB-CD2 4.38Å; A78-L80 HydrophobicContact CB-CG 4.13Å; A78-L80 PolarHBondContact O-N 3.44Å; A78-L80 VanDerWaalsContact O-N 3.12Å; A78-I325 HydrophobicContact CB-CD1 3.84Å; A78-I325 HydrophobicContact CB-CG2 4.25Å; A78-T328 HydrophobicContact CB-CG2 3.95Å; A78-T328 WeakPolarHBondContact O-CG2 3.34Å; A78-T332 VanDerWaalsContact O-CB 3.27Å; A78-T332 WeakPolarHBondContact O-CB 3.41Å; A78-T332 PolarHBondContact O-OG1 2.86Å
79	S	98.9	Very high	98.9	Very high	5 Å²	5	11.9 Å²	11.9	4%	0.035	6%	0.063	C	C	.	.			trans	49.3	43.6	170.5	-49.5	0	0	0	0	112.8	L71 K73 N75 F76 G77 T332	L71-S79 PolarHBondContact O-N 2.77Å; L71-S79 VanDerWaalsContact O-N 3.15Å; K73-S79 PolarHBondContact O-OG 3.22Å; N75-S79 PolarHBondContact N-OG 3Å; F76-S79 PolarHBondContact N-OG 3.11Å; G77-S79 PolarHBondContact O-N 3.08Å; G77-S79 PolarHBondContact O-OG 3.1Å; S79-T332 WeakPolarHBondContact O-CB 3.33Å
80	L	98.9	Very high	98.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.			trans	-57.7	144.1	-165.6	-69.1	169.3	0	0	0	113.5	L71 F72 A78 N126 L293 L308 T328	L71-L80 PolarHBondContact O-N 2.83Å; F72-L80 HydrophobicContact CD1-CB 4.33Å; F72-L80 HydrophobicContact CD1-CD1 4.45Å; F72-L80 HydrophobicContact CE1-CD1 4.14Å; A78-L80 HydrophobicContact CB-CD2 4.38Å; A78-L80 HydrophobicContact CB-CG 4.13Å; A78-L80 PolarHBondContact O-N 3.44Å; A78-L80 VanDerWaalsContact O-N 3.12Å; L80-N126 PolarHBondContact O-ND2 2.9Å; L80-L293 HydrophobicContact CD1-CD1 3.34Å; L80-L308 HydrophobicContact CD1-CD1 4.33Å; L80-L308 HydrophobicContact CD2-CD1 4.19Å; L80-T328 HydrophobicContact CD2-CG2 3.75Å
81	H	98.9	Very high	98.9	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.009	6%	0.056	C	C	.	.	S	Bend	trans	-90.9	-28.9	177.7	-58	159.3	0	0	0	112.5	F40 I43 I129 T130 T332 T335 Q336 P337	F40-H81 AromaticContact CE1-CE1 3.72Å; F40-H81 AromaticContact CE1-ND1 3.56Å; F40-H81 AromaticContact CZ-ND1 3.79Å; I43-H81 WeakPolarHBondContact O-CB 3.25Å; I43-H81 PolarHBondContact O-N 2.99Å; H81-I129 WeakPolarHBondContact O-CG1 3.23Å; H81-T130 PolarHBondContact O-N 3.5Å; H81-T332 WeakPolarHBondContact NE2-CA 3.39Å; H81-T332 PolarHBondContact NE2-O 3.26Å; H81-T332 VanDerWaalsContact NE2-O 3.1Å; H81-T335 PolarHBondContact CE1-O 3.03Å; H81-T335 PolarHBondContact NE2-O 2.92Å; H81-T335 VanDerWaalsContact NE2-O 3.17Å; H81-Q336 PolarHBondContact NE2-NE2 3.2Å; H81-P337 HydrophobicContact CB-CG 3.79Å
82	I	99	Very high	98.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.9	-175.1	-62.3	162.1	0	0	0	108.6	I43 G44 G45 T130 I132 A287 I289	I43-I82 PolarHBondContact O-N 2.84Å; G44-I82 WeakPolarHBondContact CA-O 3.26Å; G45-I82 PolarHBondContact N-O 2.92Å; I82-T130 CarbonylContact C-O 3.55Å; I82-T130 WeakPolarHBondContact CA-O 3.16Å; I82-T130 HydrophobicContact CG1-CG2 4.38Å; I82-I132 HydrophobicContact CG2-CD1 3.47Å; I82-I132 VanDerWaalsContact CG2-CD1 3.47Å; I82-I132 HydrophobicContact CG2-CG1 3.98Å; I82-A287 HydrophobicContact CD1-CB 3.96Å; I82-I289 HydrophobicContact CG2-CD1 4.03Å; I82-I289 HydrophobicContact CG2-CG1 4.38Å
83	L	99	Very high	98.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.1	162.4	170.9	65.7	0	0	0	107.6	F72 V85 L118 M119 A122 I129 T130 L131 I132 L293	F72-L83 HydrophobicContact CE1-CB 4.37Å; F72-L83 HydrophobicContact CE1-CD1 4.32Å; F72-L83 HydrophobicContact CE1-CD2 4.46Å; F72-L83 HydrophobicContact CZ-CD1 4.17Å; F72-L83 HydrophobicContact CZ-CD2 4.26Å; L83-V85 HydrophobicContact CD1-CG1 4.16Å; L83-V85 HydrophobicContact CD2-CG1 4.15Å; L83-V85 HydrophobicContact CG-CG1 3.89Å; L83-L118 HydrophobicContact CD1-CD2 4.32Å; L83-L118 HydrophobicContact CD2-CG 4.25Å; L83-M119 HydrophobicContact CD2-CB 4.46Å; L83-M119 HydrophobicContact CD2-CG 3.9Å; L83-A122 HydrophobicContact CD2-CB 3.9Å; L83-I129 HydrophobicContact CB-CD1 3.77Å; L83-I129 HydrophobicContact CB-CG1 4.45Å; L83-T130 PolarHBondContact N-O 3.17Å; L83-L131 HydrophobicContact CB-CD2 4.12Å; L83-L131 HydrophobicContact CD2-CD2 4.18Å; L83-L131 HydrophobicContact CG-CD2 4.49Å; L83-L131 WeakPolarHBondContact O-CA 3.44Å; L83-I132 PolarHBondContact O-N 3.21Å; L83-L293 HydrophobicContact CD1-CD2 3.98Å
84	K	99	Very high	98.8	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.3	171.4	-179.1	174.7	165.3	-173.3	0	108.1	G45 L46 S47 I132 D212 S257 I289	G45-K84 PolarHBondContact O-N 3.33Å; L46-K84 CarbonylContact C-O 3.25Å; L46-K84 VanDerWaalsContact CA-O 3.28Å; L46-K84 WeakPolarHBondContact CA-O 3.24Å; L46-K84 HydrophobicContact CB-CB 4.4Å; L46-K84 HydrophobicContact CD1-CD 3.93Å; L46-K84 HydrophobicContact CD1-CG 4.4Å; L46-K84 HydrophobicContact CG-CB 4.25Å; L46-K84 HydrophobicContact CG-CD 4.16Å; L46-K84 HydrophobicContact CG-CG 4.08Å; S47-K84 PolarHBondContact N-O 2.9Å; K84-I132 CarbonylContact C-O 3.5Å; K84-I132 WeakPolarHBondContact CA-O 3.3Å; K84-I132 HydrophobicContact CB-CB 4.05Å; K84-I132 HydrophobicContact CD-CG2 4.32Å; K84-I132 HydrophobicContact CG-CB 4.06Å; K84-I132 HydrophobicContact CG-CG2 4Å; K84-D212 IonicContact NZ-OD1 2.68Å; K84-D212 PolarHBondContact NZ-OD1 2.95Å; K84-S257 PolarHBondContact NZ-O 3.3Å; K84-I289 HydrophobicContact CB-CG2 4.15Å; K84-I289 HydrophobicContact CD-CD1 4.23Å; K84-I289 HydrophobicContact CD-CG2 4.44Å
85	V	99	Very high	98.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150	179	-57.3	0	0	0	0	111.6	S47 L83 E115 M119 I132 A133 L134 W163	S47-V85 CarbonylContact O-C 3.43Å; S47-V85 VanDerWaalsContact O-CA 3.3Å; S47-V85 WeakPolarHBondContact O-CA 3.37Å; L83-V85 HydrophobicContact CD1-CG1 4.16Å; L83-V85 HydrophobicContact CD2-CG1 4.15Å; L83-V85 HydrophobicContact CG-CG1 3.89Å; V85-E115 HydrophobicContact CB-CB 4.15Å; V85-E115 HydrophobicContact CB-CG 4.21Å; V85-E115 HydrophobicContact CG1-CB 4.37Å; V85-E115 VanDerWaalsContact CG1-OE2 3.23Å; V85-E115 WeakPolarHBondContact CG1-OE2 3.43Å; V85-E115 HydrophobicContact CG2-CB 4.49Å; V85-M119 HydrophobicContact CG1-CG 3.91Å; V85-M119 HydrophobicContact CG1-SD 4.32Å; V85-M119 HydrophobicContact CG2-CE 4.2Å; V85-M119 HydrophobicContact CG2-CG 4.48Å; V85-M119 HydrophobicContact CG2-SD 3.82Å; V85-I132 PolarHBondContact N-O 3.07Å; V85-A133 HydrophobicContact CG2-CB 4.33Å; V85-A133 WeakPolarHBondContact O-CA 3.49Å; V85-L134 PolarHBondContact O-N 2.69Å; V85-L134 VanDerWaalsContact O-N 3.09Å; V85-W163 HydrophobicContact CG2-CH2 3.95Å; V85-W163 HydrophobicContact CG2-CZ2 4.17Å
86	E	98.9	Very high	98.8	Very high	2 Å²	2	1.9 Å²	1.9	1%	0.009	1%	0.011	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	138.7	166.6	175.4	169.5	173.3	0	0	111.1	S47 G49 T93 L134 W136	S47-E86 PolarHBondContact O-N 3.46Å; G49-E86 WeakPolarHBondContact CA-OE2 3.2Å; G49-E86 PolarHBondContact N-OE2 2.76Å; E86-T93 VanDerWaalsContact OE1-CG2 3.32Å; E86-T93 WeakPolarHBondContact OE1-CG2 3.31Å; E86-T93 PolarHBondContact OE1-OG1 2.68Å; E86-T93 PolarHBondContact OE2-OG1 2.6Å; E86-L134 CarbonylContact C-O 3.52Å; E86-L134 WeakPolarHBondContact CA-O 3.21Å; E86-W136 HydrophobicContact CB-CE3 3.84Å; E86-W136 HydrophobicContact CB-CZ3 3.88Å; E86-W136 HydrophobicContact CG-CD2 4.49Å; E86-W136 HydrophobicContact CG-CE3 3.75Å; E86-W136 HydrophobicContact CG-CZ3 4.3Å
87	I	98.9	Very high	98.8	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.01	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	100.4	157.9	-58.7	-177.3	0	0	0	106.3	A133 L134 P135 Y159 V160 W163	I87-A133 HydrophobicContact CD1-CB 3.88Å; I87-A133 HydrophobicContact CG1-CB 3.78Å; I87-L134 PolarHBondContact N-O 3.05Å; I87-P135 HydrophobicContact CB-CB 4.27Å; I87-Y159 HydrophobicContact CG2-CE1 4.18Å; I87-V160 HydrophobicContact CD1-CG1 4.21Å; I87-W163 HydrophobicContact CD1-CD2 4.01Å; I87-W163 HydrophobicContact CD1-CE3 4.04Å; I87-W163 HydrophobicContact CD1-CG 4.25Å; I87-W163 HydrophobicContact CG1-CD2 3.94Å; I87-W163 HydrophobicContact CG1-CE3 4.24Å; I87-W163 HydrophobicContact CG1-CG 4.32Å; I87-W163 HydrophobicContact CG1-CZ2 4.3Å; I87-W163 HydrophobicContact CG2-CB 4.45Å; I87-W163 HydrophobicContact CG2-CD2 4.42Å; I87-W163 HydrophobicContact CG2-CG 3.95Å
88	G	98.8	Very high	98.8	Very high	6 Å²	6	1.8 Å²	1.8	6%	0.062	1%	0.012	C	C	.	.			trans	-51.5	139	-177.2	0	0	0	0	0	112.4	E98 S100 Y159	G88-E98 CarbonylContact C-O 3.57Å; G88-E98 WeakPolarHBondContact CA-O 3.11Å; G88-S100 VanDerWaalsContact O-CA 3.24Å; G88-S100 WeakPolarHBondContact O-CA 3.48Å; G88-S100 WeakPolarHBondContact O-CB 3.36Å; G88-Y159 PolarHBondContact O-OH 2.92Å
89	G	98.6	Very high	98.8	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.018	C	C	.	.			trans	-131.3	17	-172.5	0	0	0	0	0	114.3	A91 E98 F138	G89-A91 PolarHBondContact O-N 2.7Å; G89-A91 VanDerWaalsContact O-N 3.13Å; G89-E98 PolarHBondContact N-O 3.02Å; G89-F138 CarbonylContact O-C 3.59Å; G89-F138 VanDerWaalsContact O-C 3.31Å
90	D	98.8	Very high	98.8	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.005	2%	0.016	C	C	.	.	S	Bend	trans	64.5	7.6	-179.9	-57.7	-27.7	0	0	0	115.8	E98 S100 H103 V496 V517 P521	D90-E98 PolarHBondContact N-O 3.17Å; D90-S100 WeakPolarHBondContact OD1-CB 3.45Å; D90-S100 PolarHBondContact OD1-N 3.01Å; D90-S100 WeakPolarHBondContact OD2-CB 3.46Å; D90-H103 IonicContact OD1-CE1 2.73Å; D90-H103 PolarHBondContact OD1-CE1 3.21Å; D90-H103 IonicContact OD1-ND1 2.7Å; D90-H103 PolarHBondContact OD1-ND1 3.02Å; D90-H103 IonicContact OD2-CE1 3.19Å; D90-H103 IonicContact OD2-CG 3.97Å; D90-H103 IonicContact OD2-ND1 2.69Å; D90-H103 PolarHBondContact OD2-ND1 2.98Å; D90-V496 HydrophobicContact CB-CG2 4.01Å; D90-V517 HydrophobicContact CB-CG2 3.96Å; D90-P521 HydrophobicContact CB-CG 4.01Å; D90-P521 VanDerWaalsContact O-CG 3.3Å; D90-P521 WeakPolarHBondContact O-CG 3.48Å
91	A	98.4	Very high	98.8	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.017	C	C	.	.	S	Bend	trans	-116.2	164	-176.9	0	0	0	0	0	111.7	G89 T93 T97 A137 P521 D527	G89-A91 PolarHBondContact O-N 2.7Å; G89-A91 VanDerWaalsContact O-N 3.13Å; A91-T93 PolarHBondContact O-N 2.95Å; A91-T97 VanDerWaalsContact O-CA 3.29Å; A91-T97 WeakPolarHBondContact O-CA 3.4Å; A91-T97 WeakPolarHBondContact O-CB 3.48Å; A91-A137 HydrophobicContact CB-CB 3.45Å; A91-A137 VanDerWaalsContact CB-CB 3.45Å; A91-P521 HydrophobicContact CB-CB 3.7Å; A91-P521 HydrophobicContact CB-CG 3.94Å; A91-D527 WeakPolarHBondContact CA-OD1 3.36Å
92	Q	98.8	Very high	98.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.	B	Isolated β-bridge	trans	-67.8	126.5	173.2	173.3	54.5	-108.1	0	0	111.1	T94 G96 T97 Q493 A525 D527 G569	Q92-T94 VanDerWaalsContact OE1-CA 3.24Å; Q92-T94 PolarHBondContact OE1-O 2.87Å; Q92-G96 PolarHBondContact OE1-O 3.44Å; Q92-G96 VanDerWaalsContact OE1-O 3.06Å; Q92-T97 HydrophobicContact CB-CG2 4.42Å; Q92-Q493 PolarHBondContact NE2-O 3.17Å; Q92-A525 HydrophobicContact CB-CB 4.02Å; Q92-A525 HydrophobicContact CG-CB 3.62Å; Q92-A525 WeakPolarHBondContact O-CB 3.32Å; Q92-A525 PolarHBondContact O-N 2.94Å; Q92-D527 PolarHBondContact N-OD1 3Å; Q92-G569 WeakPolarHBondContact CG-O 3.37Å; Q92-G569 PolarHBondContact NE2-O 3.32Å
93	T	98.6	Very high	98.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.			trans	-129.4	-0.6	-173.9	55.7	0	0	0	0	116	G49 G50 E86 A91 G96 W136 A137 W524	G49-T93 CarbonylContact C-O 3.54Å; G49-T93 WeakPolarHBondContact CA-O 3.32Å; G50-T93 WeakPolarHBondContact CA-OG1 3.18Å; G50-T93 PolarHBondContact N-O 3.03Å; E86-T93 VanDerWaalsContact OE1-CG2 3.32Å; E86-T93 WeakPolarHBondContact OE1-CG2 3.31Å; E86-T93 PolarHBondContact OE1-OG1 2.68Å; E86-T93 PolarHBondContact OE2-OG1 2.6Å; A91-T93 PolarHBondContact O-N 2.95Å; T93-G96 PolarHBondContact N-O 2.98Å; T93-W136 HydrophobicContact CG2-CB 3.35Å; T93-W136 HydrophobicContact CG2-CG 4.12Å; T93-A137 HydrophobicContact CG2-CB 4.05Å; T93-W524 HydrophobicContact CG2-CB 4.21Å; T93-W524 WeakPolarHBondContact O-CZ3 3.46Å
94	T	98.5	Very high	98.7	Very high	5 Å²	5	7.2 Å²	7.2	3%	0.031	4%	0.036	C	C	.	.	S	Bend	trans	174.3	-49	145.2	-73.6	0	0	0	0	110.7	G49 Q92 W291 P302 F303 W524 G569 Q570	G49-T94 WeakPolarHBondContact O-CB 3.41Å; G49-T94 PolarHBondContact O-OG1 2.96Å; Q92-T94 VanDerWaalsContact OE1-CA 3.24Å; Q92-T94 PolarHBondContact OE1-O 2.87Å; T94-W291 HydrophobicContact CG2-CH2 3.79Å; T94-W291 HydrophobicContact CG2-CZ2 3.87Å; T94-P302 HydrophobicContact CG2-CB 4.23Å; T94-F303 HydrophobicContact CG2-CD2 3.73Å; T94-F303 HydrophobicContact CG2-CE2 4.09Å; T94-W524 WeakPolarHBondContact OG1-CH2 3.5Å; T94-W524 VanDerWaalsContact OG1-CZ3 3.27Å; T94-W524 WeakPolarHBondContact OG1-CZ3 3.26Å; T94-G569 CarbonylContact O-C 3.53Å; T94-G569 VanDerWaalsContact O-C 3.26Å; T94-G569 WeakPolarHBondContact O-CA 3.41Å; T94-Q570 HydrophobicContact CG2-CG 4.17Å; T94-Q570 PolarHBondContact O-N 2.81Å; T94-Q570 PolarHBondContact OG1-NE2 2.81Å
95	D	98.7	Very high	98.6	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.011	6%	0.058	C	C	.	.	S	Bend	trans	-115.3	-0	-178	-51.1	-63.7	0	0	0	113	G50 Y297 L301 P302 Q493	G50-D95 VanDerWaalsContact O-CB 3.26Å; G50-D95 WeakPolarHBondContact O-CB 3.49Å; G50-D95 PolarHBondContact O-N 2.72Å; D95-Y297 HydrophobicContact CB-CD2 4.1Å; D95-Y297 HydrophobicContact CB-CG 4.32Å; D95-L301 HydrophobicContact CB-CB 4.26Å; D95-L301 HydrophobicContact CB-CD1 4.24Å; D95-L301 WeakPolarHBondContact O-CD1 3.3Å; D95-P302 WeakPolarHBondContact OD1-CD 3.11Å; D95-Q493 PolarHBondContact O-NE2 3.27Å; D95-Q493 PolarHBondContact O-OE1 2.76Å; D95-Q493 VanDerWaalsContact O-OE1 3.13Å
96	G	98.8	Very high	98.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	174.5	-179.2	179.5	0	0	0	0	0	111.9	Q92 T93 D492	Q92-G96 PolarHBondContact OE1-O 3.44Å; Q92-G96 VanDerWaalsContact OE1-O 3.06Å; T93-G96 PolarHBondContact N-O 2.98Å; G96-D492 CarbonylContact C-O 3.59Å; G96-D492 WeakPolarHBondContact CA-O 3.3Å
97	T	98.9	Very high	98.4	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.043	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-94.3	151.9	169.6	70.7	0	0	0	0	110.5	A91 Q92 D492 G495	A91-T97 VanDerWaalsContact O-CA 3.29Å; A91-T97 WeakPolarHBondContact O-CA 3.4Å; A91-T97 WeakPolarHBondContact O-CB 3.48Å; Q92-T97 HydrophobicContact CB-CG2 4.42Å; T97-D492 PolarHBondContact N-O 2.85Å; T97-D492 WeakPolarHBondContact OG1-CB 3.16Å; T97-G495 WeakPolarHBondContact CB-O 3.21Å; T97-G495 VanDerWaalsContact CG2-O 3.31Å; T97-G495 WeakPolarHBondContact CG2-O 3.05Å; T97-G495 PolarHBondContact OG1-O 3.31Å
98	E	98.9	Very high	98.3	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.023	13%	0.131	C	C	.	.			trans	-121.5	135.3	170	-72.5	-166.5	-148.9	0	0	111.3	G48 A51 G88 G89 D90	G48-E98 WeakPolarHBondContact CA-OE1 3.44Å; A51-E98 WeakPolarHBondContact CA-OE1 3.26Å; A51-E98 HydrophobicContact CB-CG 4.31Å; A51-E98 PolarHBondContact N-OE1 2.82Å; G88-E98 CarbonylContact C-O 3.57Å; G88-E98 WeakPolarHBondContact CA-O 3.11Å; G89-E98 PolarHBondContact N-O 3.02Å; D90-E98 PolarHBondContact N-O 3.17Å
99	P	98.9	Very high	98.3	Very high	20 Å²	20	28.6 Å²	28.6	13%	0.13	14%	0.142	C	C	.	.			trans	-73	133	-172	29.9	-35.8	0	0	0	111.8	R112 V496	P99-R112 HydrophobicContact CB-CB 3.96Å; P99-R112 HydrophobicContact CG-CB 3.91Å; P99-V496 HydrophobicContact CB-CG1 3.85Å
100	S	98.9	Very high	98.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.			trans	-72.6	149.6	173.4	-177.9	0	0	0	0	112.2	G88 D90 M102 R112 P139 Y159	G88-S100 VanDerWaalsContact O-CA 3.24Å; G88-S100 WeakPolarHBondContact O-CA 3.48Å; G88-S100 WeakPolarHBondContact O-CB 3.36Å; D90-S100 WeakPolarHBondContact OD1-CB 3.45Å; D90-S100 PolarHBondContact OD1-N 3.01Å; D90-S100 WeakPolarHBondContact OD2-CB 3.46Å; S100-M102 PolarHBondContact O-N 3.44Å; S100-M102 PolarHBondContact OG-N 3.26Å; S100-R112 VanDerWaalsContact O-CD 3.28Å; S100-R112 WeakPolarHBondContact O-CD 3.31Å; S100-R112 PolarHBondContact O-NH1 2.95Å; S100-P139 VanDerWaalsContact OG-CG 3.25Å; S100-P139 WeakPolarHBondContact OG-CG 3.49Å; S100-Y159 WeakPolarHBondContact OG-CE2 3.31Å; S100-Y159 PolarHBondContact OG-OH 3.16Å
101	H	98.9	Very high	98.3	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.023	17%	0.168	C	C	.	.	S	Bend	trans	-68.9	-11.7	166.5	63.2	-63.2	0	0	0	113.1	E108 N109 F110 R112 Y159 W163	H101-E108 CarbonylContact O-C 3.6Å; H101-E108 WeakPolarHBondContact O-CA 3.38Å; H101-N109 WeakPolarHBondContact CA-O 3.5Å; H101-N109 PolarHBondContact O-N 3.33Å; H101-F110 HydrophobicContact CB-CD1 4.09Å; H101-F110 HydrophobicContact CB-CE1 4.17Å; H101-F110 AromaticContact CD2-CE1 3.67Å; H101-R112 PolarHBondContact O-NH1 3.44Å; H101-Y159 AromaticContact CE1-CD2 3.57Å; H101-Y159 AromaticContact CE1-CE1 3.79Å; H101-Y159 AromaticContact CE1-CE2 3.15Å; H101-Y159 WeakPolarHBondContact CE1-CE2 3.33Å; H101-Y159 AromaticContact CE1-CZ 3.27Å; H101-Y159 PolarHBondContact CE1-O 2.93Å; H101-Y159 AromaticContact ND1-CE2 3.73Å; H101-Y159 AromaticContact ND1-CZ 3.77Å; H101-Y159 AromaticContact NE2-CD2 3.83Å; H101-Y159 AromaticContact NE2-CE2 3.81Å; H101-Y159 PolarHBondContact NE2-O 2.8Å; H101-W163 AromaticContact CE1-CD1 3.87Å; H101-W163 AromaticContact CG-CD1 3.87Å; H101-W163 AromaticContact ND1-CD1 3.47Å
102	M	98.8	Very high	98.4	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.064	17%	0.171	C	C	.	.			trans	-140.6	83.7	178.2	-53.1	-175.3	69.1	0	0	111.2	S100 Y104 D107 E108 P139 W141 Y159	S100-M102 PolarHBondContact O-N 3.44Å; S100-M102 PolarHBondContact OG-N 3.26Å; M102-Y104 PolarHBondContact O-N 2.93Å; M102-D107 WeakPolarHBondContact CA-O 2.95Å; M102-D107 WeakPolarHBondContact CA-OD2 3.38Å; M102-D107 VanDerWaalsContact CB-O 3.25Å; M102-D107 WeakPolarHBondContact CB-O 3.41Å; M102-D107 WeakPolarHBondContact CE-O 3.28Å; M102-D107 WeakPolarHBondContact CG-O 3.26Å; M102-E108 HydrophobicContact CE-CG 4.07Å; M102-E108 HydrophobicContact CG-CG 4.34Å; M102-E108 HydrophobicContact SD-CG 4.48Å; M102-P139 WeakPolarHBondContact O-CG 3.42Å; M102-W141 HydrophobicContact CB-CZ2 3.87Å; M102-W141 HydrophobicContact CE-CH2 4.01Å; M102-W141 HydrophobicContact CE-CZ2 3.86Å; M102-W141 PolarHBondContact O-NE1 3Å; M102-W141 HydrophobicContact SD-CH2 4.31Å; M102-W141 HydrophobicContact SD-CZ2 4.02Å; M102-Y159 HydrophobicContact CB-CD2 4.23Å; M102-Y159 HydrophobicContact CB-CE2 4.09Å; M102-Y159 HydrophobicContact CG-CD2 4.31Å; M102-Y159 HydrophobicContact CG-CE2 4.4Å; M102-Y159 HydrophobicContact SD-CD2 4.01Å
103	H	98.4	Very high	98.3	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.032	18%	0.176	C	C	.	.	S	Bend	trans	-60.4	-32.6	176.9	-67.3	-40.7	0	0	0	112.2	D90 D107 R112 E498	D90-H103 IonicContact OD1-CE1 2.73Å; D90-H103 PolarHBondContact OD1-CE1 3.21Å; D90-H103 IonicContact OD1-ND1 2.7Å; D90-H103 PolarHBondContact OD1-ND1 3.02Å; D90-H103 IonicContact OD2-CE1 3.19Å; D90-H103 IonicContact OD2-CG 3.97Å; D90-H103 IonicContact OD2-ND1 2.69Å; D90-H103 PolarHBondContact OD2-ND1 2.98Å; H103-D107 IonicContact CG-OD2 2.74Å; H103-D107 PolarHBondContact N-OD2 2.95Å; H103-R112 PolarHBondContact CD2-NE 3.25Å; H103-R112 PolarHBondContact CD2-NH1 3.14Å; H103-R112 PolarHBondContact CD2-NH2 3.2Å; H103-R112 VanDerWaalsContact NE2-CD 3.34Å; H103-R112 WeakPolarHBondContact NE2-CD 3.19Å; H103-R112 VanDerWaalsContact NE2-CZ 3.29Å; H103-R112 PolarHBondContact NE2-NE 2.93Å; H103-E498 IonicContact NE2-OE1 3.6Å; H103-E498 IonicContact NE2-OE2 2.94Å
104	Y	97.7	Very high	98.4	Very high	76 Å²	76	36.2 Å²	36.2	30%	0.298	18%	0.178	S	C	.	.	S	Bend	trans	-130.9	163	179.6	-36.5	-63.3	0	0	0	110.2	M102 N106 D107 V516 T518	M102-Y104 PolarHBondContact O-N 2.93Å; Y104-N106 PolarHBondContact O-N 2.91Å; Y104-N106 VanDerWaalsContact O-N 3.09Å; Y104-D107 HydrophobicContact CD2-CB 3.89Å; Y104-D107 HydrophobicContact CG-CB 4.41Å; Y104-D107 PolarHBondContact O-N 3.01Å; Y104-V516 PolarHBondContact OH-O 3.33Å; Y104-T518 HydrophobicContact CE1-CG2 3.98Å; Y104-T518 WeakPolarHBondContact CE1-OG1 3.46Å
105	E	96.2	Very high	98.4	Very high	104 Å²	104	36.5 Å²	36.5	49%	0.486	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.5	-177.2	-174.1	171.2	-152.6	0	0	113.8	W141	E105-W141 HydrophobicContact CB-CB 4.5Å; E105-W141 HydrophobicContact CB-CD2 3.89Å; E105-W141 HydrophobicContact CB-CE3 3.72Å; E105-W141 HydrophobicContact CB-CG 4.24Å; E105-W141 HydrophobicContact CB-CZ3 4.23Å; E105-W141 HydrophobicContact CG-CD2 4.45Å; E105-W141 HydrophobicContact CG-CE3 3.78Å; E105-W141 HydrophobicContact CG-CZ3 3.91Å
106	N	95.6	Very high	98.4	Very high	162 Å²	162	37.2 Å²	37.2	87%	0.866	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	15.8	-179.7	-60.5	-45.5	0	0	0	113.5	Y104	Y104-N106 PolarHBondContact O-N 2.91Å; Y104-N106 VanDerWaalsContact O-N 3.09Å
107	D	97.8	Very high	98.4	Very high	31 Å²	31	38.9 Å²	38.9	17%	0.166	19%	0.187	C	C	.	.			trans	-102.6	135.7	178.2	171.1	61.5	0	0	0	110.7	M102 H103 Y104 R112	M102-D107 WeakPolarHBondContact CA-O 2.95Å; M102-D107 WeakPolarHBondContact CA-OD2 3.38Å; M102-D107 VanDerWaalsContact CB-O 3.25Å; M102-D107 WeakPolarHBondContact CB-O 3.41Å; M102-D107 WeakPolarHBondContact CE-O 3.28Å; M102-D107 WeakPolarHBondContact CG-O 3.26Å; H103-D107 IonicContact CG-OD2 2.74Å; H103-D107 PolarHBondContact N-OD2 2.95Å; Y104-D107 HydrophobicContact CD2-CB 3.89Å; Y104-D107 HydrophobicContact CG-CB 4.41Å; Y104-D107 PolarHBondContact O-N 3.01Å; D107-R112 VanDerWaalsContact CG-NH2 3.27Å; D107-R112 IonicContact OD1-CZ 3.46Å; D107-R112 IonicContact OD1-NH1 2.99Å; D107-R112 IonicContact OD1-NH2 3.61Å; D107-R112 PolarHBondContact OD1-NH2 3.07Å; D107-R112 IonicContact OD2-CZ 3.06Å; D107-R112 VanDerWaalsContact OD2-CZ 3.24Å; D107-R112 IonicContact OD2-NH1 2.68Å; D107-R112 PolarHBondContact OD2-NH1 3.15Å; D107-R112 IonicContact OD2-NH2 2.86Å; D107-R112 PolarHBondContact OD2-NH2 2.93Å
108	E	98.3	Very high	98.4	Very high	108 Å²	108	38.5 Å²	38.5	51%	0.505	19%	0.185	S	C	.	.			trans	-140.7	117	170.9	-71.9	-172.1	-174.6	0	0	110.1	H101 M102 F110 N162	H101-E108 CarbonylContact O-C 3.6Å; H101-E108 WeakPolarHBondContact O-CA 3.38Å; M102-E108 HydrophobicContact CE-CG 4.07Å; M102-E108 HydrophobicContact CG-CG 4.34Å; M102-E108 HydrophobicContact SD-CG 4.48Å; E108-F110 HydrophobicContact CB-CE2 4.04Å; E108-F110 HydrophobicContact CB-CZ 4.5Å; E108-N162 PolarHBondContact OE1-ND2 3.12Å
109	N	98.6	Very high	98.4	Very high	54 Å²	54	38.3 Å²	38.3	29%	0.289	19%	0.185	S	C	.	.			trans	-143.3	112	173.3	-171.1	-18.6	0	0	0	111.1	H101 F111 R112	H101-N109 WeakPolarHBondContact CA-O 3.5Å; H101-N109 PolarHBondContact O-N 3.33Å; N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 3.05Å; N109-F111 WeakPolarHBondContact OD1-CB 3.4Å; N109-F111 PolarHBondContact OD1-N 3.49Å; N109-R112 HydrophobicContact CB-CG 4.2Å; N109-R112 VanDerWaalsContact CB-CZ 3.45Å
110	F	98.8	Very high	98.4	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.026	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	20.4	-178.7	-56.4	-83	0	0	0	112.7	H101 E108 W116 N162 Y170 H171	H101-F110 HydrophobicContact CB-CD1 4.09Å; H101-F110 HydrophobicContact CB-CE1 4.17Å; H101-F110 AromaticContact CD2-CE1 3.67Å; E108-F110 HydrophobicContact CB-CE2 4.04Å; E108-F110 HydrophobicContact CB-CZ 4.5Å; F110-W116 HydrophobicContact CD1-CZ2 4.24Å; F110-W116 VanDerWaalsContact O-CD1 3.27Å; F110-W116 PolarHBondContact O-NE1 3.36Å; F110-N162 WeakPolarHBondContact CE1-O 3.42Å; F110-Y170 HydrophobicContact CB-CD2 3.68Å; F110-Y170 HydrophobicContact CB-CE2 4.26Å; F110-Y170 HydrophobicContact CB-CG 4.18Å; F110-Y170 AromaticContact CD2-CD2 3.44Å; F110-Y170 HydrophobicContact CD2-CD2 3.44Å; F110-Y170 VanDerWaalsContact CD2-CD2 3.44Å; F110-Y170 AromaticContact CD2-CE2 3.1Å; F110-Y170 HydrophobicContact CD2-CE2 3.1Å; F110-Y170 HydrophobicContact CD2-CG 4.46Å; F110-Y170 AromaticContact CD2-CZ 3.91Å; F110-Y170 HydrophobicContact CE2-CD2 4.2Å; F110-Y170 AromaticContact CE2-CE2 3.51Å; F110-Y170 HydrophobicContact CE2-CE2 3.51Å; F110-Y170 AromaticContact CG-CD2 3.62Å; F110-Y170 HydrophobicContact CG-CD2 3.62Å; F110-Y170 AromaticContact CG-CE2 3.8Å; F110-Y170 HydrophobicContact CG-CE2 3.8Å; F110-Y170 HydrophobicContact CZ-CE2 4.46Å; F110-H171 PolarHBondContact O-CE1 3.12Å; F110-H171 PolarHBondContact O-NE2 2.98Å
111	F	98.7	Very high	98.4	Very high	118 Å²	118	43.2 Å²	43.2	52%	0.518	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	7.4	-178.3	-59.8	-86.4	0	0	0	113.2	N109 Y170 H171	N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 3.05Å; N109-F111 WeakPolarHBondContact OD1-CB 3.4Å; N109-F111 PolarHBondContact OD1-N 3.49Å; F111-Y170 AromaticContact CE2-CD1 3.91Å; F111-Y170 HydrophobicContact CE2-CD1 3.91Å; F111-Y170 HydrophobicContact CE2-CG 4.23Å; F111-Y170 AromaticContact CZ-CD1 3.83Å; F111-Y170 HydrophobicContact CZ-CD1 3.83Å; F111-Y170 HydrophobicContact CZ-CG 4.11Å; F111-H171 AromaticContact CD1-CE1 3.79Å; F111-H171 AromaticContact CE1-CE1 3.78Å
112	R	98.8	Very high	98.4	Very high	16 Å²	16	43 Å²	43	6%	0.06	20%	0.203	C	C	.	.	S	Bend	trans	-78.4	154.5	175.2	-61.9	-177.7	-179.1	121.7	4.5	112.5	P99 S100 H101 H103 D107 N109 W116 E498	P99-R112 HydrophobicContact CB-CB 3.96Å; P99-R112 HydrophobicContact CG-CB 3.91Å; S100-R112 VanDerWaalsContact O-CD 3.28Å; S100-R112 WeakPolarHBondContact O-CD 3.31Å; S100-R112 PolarHBondContact O-NH1 2.95Å; H101-R112 PolarHBondContact O-NH1 3.44Å; H103-R112 PolarHBondContact CD2-NE 3.25Å; H103-R112 PolarHBondContact CD2-NH1 3.14Å; H103-R112 PolarHBondContact CD2-NH2 3.2Å; H103-R112 VanDerWaalsContact NE2-CD 3.34Å; H103-R112 WeakPolarHBondContact NE2-CD 3.19Å; H103-R112 VanDerWaalsContact NE2-CZ 3.29Å; H103-R112 PolarHBondContact NE2-NE 2.93Å; D107-R112 VanDerWaalsContact CG-NH2 3.27Å; D107-R112 IonicContact OD1-CZ 3.46Å; D107-R112 IonicContact OD1-NH1 2.99Å; D107-R112 IonicContact OD1-NH2 3.61Å; D107-R112 PolarHBondContact OD1-NH2 3.07Å; D107-R112 IonicContact OD2-CZ 3.06Å; D107-R112 VanDerWaalsContact OD2-CZ 3.24Å; D107-R112 IonicContact OD2-NH1 2.68Å; D107-R112 PolarHBondContact OD2-NH1 3.15Å; D107-R112 IonicContact OD2-NH2 2.86Å; D107-R112 PolarHBondContact OD2-NH2 2.93Å; N109-R112 HydrophobicContact CB-CG 4.2Å; N109-R112 VanDerWaalsContact CB-CZ 3.45Å; R112-W116 PolarHBondContact O-NE1 3.38Å; R112-E498 WeakPolarHBondContact CD-OE1 3.39Å; R112-E498 VanDerWaalsContact CG-OE1 3.27Å; R112-E498 WeakPolarHBondContact CG-OE1 3.34Å; R112-E498 IonicContact NE-OE1 3.93Å; R112-E498 PolarHBondContact NE-OE1 2.68Å; R112-E498 VanDerWaalsContact NE-OE1 3.1Å; R112-E498 IonicContact NE-OE2 3.21Å
113	G	98.7	Very high	98.4	Very high	12 Å²	12	44.3 Å²	44.3	12%	0.124	21%	0.209	C	C	.	.	S	Bend	trans	65.3	-153.9	177	0	0	0	0	0	112.3	S485	G113-S485 PolarHBondContact N-OG 3.21Å
114	Y	98.9	Very high	98.4	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.035	24%	0.24	C	C	.	.	S	Bend	trans	-131.5	-8.7	-170.7	39	-96.1	0	0	0	114.6	A51 V57 W116 W117 L118	A51-Y114 WeakPolarHBondContact CA-OH 3.39Å; A51-Y114 WeakPolarHBondContact CB-OH 3.41Å; V57-Y114 VanDerWaalsContact CG1-CB 3.43Å; V57-Y114 HydrophobicContact CG1-CD1 4.16Å; V57-Y114 HydrophobicContact CG1-CG 3.89Å; Y114-W116 VanDerWaalsContact C-N 3.3Å; Y114-W116 PolarHBondContact O-N 3.3Å; Y114-W117 WeakPolarHBondContact O-CB 3.41Å; Y114-W117 PolarHBondContact O-N 3.17Å; Y114-L118 PolarHBondContact O-N 3.44Å
115	E	98.9	Very high	98.5	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-35.1	-178.4	-60.8	-53.7	150.2	0	0	112.5	S47 V85 W117 L118 M119	S47-E115 WeakPolarHBondContact CB-OE1 3.38Å; S47-E115 VanDerWaalsContact CB-OE2 3.29Å; S47-E115 WeakPolarHBondContact CB-OE2 3.32Å; S47-E115 VanDerWaalsContact OG-CD 3.26Å; S47-E115 PolarHBondContact OG-OE1 3.05Å; S47-E115 PolarHBondContact OG-OE2 3.43Å; S47-E115 VanDerWaalsContact OG-OE2 3.11Å; V85-E115 HydrophobicContact CB-CB 4.15Å; V85-E115 HydrophobicContact CB-CG 4.21Å; V85-E115 HydrophobicContact CG1-CB 4.37Å; V85-E115 VanDerWaalsContact CG1-OE2 3.23Å; V85-E115 WeakPolarHBondContact CG1-OE2 3.43Å; V85-E115 HydrophobicContact CG2-CB 4.49Å; E115-W117 VanDerWaalsContact C-N 3.32Å; E115-W117 PolarHBondContact O-N 3.23Å; E115-L118 PolarHBondContact O-N 3.03Å; E115-M119 WeakPolarHBondContact O-CB 3.23Å; E115-M119 WeakPolarHBondContact O-CG 3.34Å; E115-M119 PolarHBondContact O-N 3.35Å
116	W	98.9	Very high	98.6	Very high	17 Å²	17	45 Å²	45	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-43.8	171	-53.1	119.4	0	0	0	112.7	F110 R112 Y114 M119 K120 W163 A167 H171 L173	F110-W116 HydrophobicContact CD1-CZ2 4.24Å; F110-W116 VanDerWaalsContact O-CD1 3.27Å; F110-W116 PolarHBondContact O-NE1 3.36Å; R112-W116 PolarHBondContact O-NE1 3.38Å; Y114-W116 VanDerWaalsContact C-N 3.3Å; Y114-W116 PolarHBondContact O-N 3.3Å; W116-M119 HydrophobicContact CD2-CE 4.43Å; W116-M119 HydrophobicContact CE3-CE 3.47Å; W116-M119 VanDerWaalsContact CE3-CE 3.47Å; W116-M119 HydrophobicContact CZ3-CE 3.76Å; W116-K120 VanDerWaalsContact O-CE 3.27Å; W116-K120 WeakPolarHBondContact O-CE 3.43Å; W116-K120 WeakPolarHBondContact O-CG 3.4Å; W116-K120 PolarHBondContact O-N 2.88Å; W116-W163 HydrophobicContact CE3-CZ2 4.28Å; W116-W163 AromaticContact CH2-CD1 3.56Å; W116-W163 AromaticContact CH2-CD2 3.53Å; W116-W163 HydrophobicContact CH2-CD2 3.53Å; W116-W163 AromaticContact CH2-CE2 3.08Å; W116-W163 HydrophobicContact CH2-CE3 4.26Å; W116-W163 AromaticContact CH2-CG 3.83Å; W116-W163 HydrophobicContact CH2-CG 3.83Å; W116-W163 HydrophobicContact CH2-CH2 4.2Å; W116-W163 AromaticContact CH2-CZ2 3.48Å; W116-W163 HydrophobicContact CH2-CZ2 3.48Å; W116-W163 VanDerWaalsContact CH2-CZ2 3.48Å; W116-W163 AromaticContact CH2-NE1 3.14Å; W116-W163 AromaticContact CZ2-CD1 3.61Å; W116-W163 HydrophobicContact CZ2-CD2 4.33Å; W116-W163 AromaticContact CZ2-CE2 3.66Å; W116-W163 HydrophobicContact CZ2-CG 4.31Å; W116-W163 HydrophobicContact CZ2-CZ2 4.17Å; W116-W163 AromaticContact CZ2-NE1 3.19Å; W116-W163 HydrophobicContact CZ3-CD2 4.19Å; W116-W163 AromaticContact CZ3-CE2 3.64Å; W116-W163 AromaticContact CZ3-CH2 3.92Å; W116-W163 HydrophobicContact CZ3-CH2 3.92Å; W116-W163 AromaticContact CZ3-CZ2 3.49Å; W116-W163 HydrophobicContact CZ3-CZ2 3.49Å; W116-W163 VanDerWaalsContact CZ3-CZ2 3.49Å; W116-W163 HydrophobicContact CZ3-CZ3 4.44Å; W116-A167 HydrophobicContact CE3-CB 4.5Å; W116-A167 HydrophobicContact CH2-CB 4.22Å; W116-A167 HydrophobicContact CZ3-CB 3.57Å; W116-H171 AromaticContact CD2-CD2 3.85Å; W116-H171 AromaticContact CD2-NE2 3.73Å; W116-H171 AromaticContact CE3-CD2 3.72Å; W116-H171 AromaticContact CG-NE2 3.58Å; W116-L173 HydrophobicContact CE3-CD1 4.47Å
117	W	98.9	Very high	98.8	Very high	36 Å²	36	41.5 Å²	41.5	14%	0.136	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-45.8	177.8	162.3	83.4	0	0	0	110.8	L56 V57 R64 L68 Y114 E115 M119 K120 E121 F484	L56-W117 HydrophobicContact CD2-CH2 4.02Å; L56-W117 HydrophobicContact CD2-CZ3 4.11Å; L56-W117 HydrophobicContact CG-CH2 4.05Å; L56-W117 HydrophobicContact CG-CZ3 4.37Å; V57-W117 HydrophobicContact CG1-CE3 4.33Å; V57-W117 HydrophobicContact CG1-CZ3 4.28Å; R64-W117 HydrophobicContact CG-CH2 4.34Å; R64-W117 HydrophobicContact CG-CZ2 4.21Å; L68-W117 HydrophobicContact CD1-CH2 3.99Å; L68-W117 HydrophobicContact CD1-CZ2 3.76Å; L68-W117 HydrophobicContact CD2-CH2 4.16Å; L68-W117 HydrophobicContact CG-CH2 4.48Å; Y114-W117 WeakPolarHBondContact O-CB 3.41Å; Y114-W117 PolarHBondContact O-N 3.17Å; E115-W117 VanDerWaalsContact C-N 3.32Å; E115-W117 PolarHBondContact O-N 3.23Å; W117-M119 PolarHBondContact O-N 2.74Å; W117-K120 PolarHBondContact O-N 3.19Å; W117-E121 HydrophobicContact CD2-CG 4.29Å; W117-E121 HydrophobicContact CG-CG 4.49Å; W117-E121 HydrophobicContact CZ2-CG 4.01Å; W117-E121 PolarHBondContact O-N 2.95Å; W117-F484 HydrophobicContact CB-CE1 3.83Å; W117-F484 HydrophobicContact CB-CZ 4.46Å; W117-F484 HydrophobicContact CD2-CE1 4Å; W117-F484 AromaticContact CD2-CZ 3.98Å; W117-F484 HydrophobicContact CD2-CZ 3.98Å; W117-F484 HydrophobicContact CE3-CE1 4.35Å; W117-F484 AromaticContact CG-CE1 3.76Å; W117-F484 HydrophobicContact CG-CE1 3.76Å; W117-F484 AromaticContact CG-CZ 3.92Å; W117-F484 HydrophobicContact CG-CZ 3.92Å
118	L	99	Very high	98.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-44.8	-177.7	-174.6	62.2	0	0	0	111.5	S47 L68 F72 L83 Y114 E115 K120 E121 A122 L293	S47-L118 VanDerWaalsContact CB-CD2 3.44Å; S47-L118 VanDerWaalsContact OG-CD2 3.3Å; S47-L118 WeakPolarHBondContact OG-CD2 3.31Å; L68-L118 HydrophobicContact CD2-CD1 3.74Å; F72-L118 HydrophobicContact CE2-CD1 3.84Å; F72-L118 HydrophobicContact CZ-CD1 4.19Å; L83-L118 HydrophobicContact CD1-CD2 4.32Å; L83-L118 HydrophobicContact CD2-CG 4.25Å; Y114-L118 PolarHBondContact O-N 3.44Å; E115-L118 PolarHBondContact O-N 3.03Å; L118-K120 VanDerWaalsContact C-N 3.34Å; L118-K120 PolarHBondContact O-N 3.12Å; L118-E121 PolarHBondContact O-N 3.33Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.15Å; L118-L293 HydrophobicContact CD1-CD2 4.39Å; L118-L293 HydrophobicContact CD2-CD2 3.78Å
119	M	98.9	Very high	98.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-40.8	175.1	-71.4	-169.5	-73.3	0	0	112.3	L83 V85 E115 W116 W117 A122 K123 L131 W163 L173 I175	L83-M119 HydrophobicContact CD2-CB 4.46Å; L83-M119 HydrophobicContact CD2-CG 3.9Å; V85-M119 HydrophobicContact CG1-CG 3.91Å; V85-M119 HydrophobicContact CG1-SD 4.32Å; V85-M119 HydrophobicContact CG2-CE 4.2Å; V85-M119 HydrophobicContact CG2-CG 4.48Å; V85-M119 HydrophobicContact CG2-SD 3.82Å; E115-M119 WeakPolarHBondContact O-CB 3.23Å; E115-M119 WeakPolarHBondContact O-CG 3.34Å; E115-M119 PolarHBondContact O-N 3.35Å; W116-M119 HydrophobicContact CD2-CE 4.43Å; W116-M119 HydrophobicContact CE3-CE 3.47Å; W116-M119 VanDerWaalsContact CE3-CE 3.47Å; W116-M119 HydrophobicContact CZ3-CE 3.76Å; W117-M119 PolarHBondContact O-N 2.74Å; M119-A122 PolarHBondContact O-N 3.33Å; M119-K123 WeakPolarHBondContact O-CB 3.33Å; M119-K123 PolarHBondContact O-N 2.83Å; M119-L131 HydrophobicContact CB-CD1 4.26Å; M119-L131 HydrophobicContact CB-CD2 4.32Å; M119-L131 HydrophobicContact CG-CD1 4.4Å; M119-L131 HydrophobicContact CG-CD2 4.06Å; M119-L131 HydrophobicContact SD-CB 4.49Å; M119-L131 HydrophobicContact SD-CD1 4.04Å; M119-L131 HydrophobicContact SD-CD2 4.36Å; M119-W163 HydrophobicContact CE-CH2 3.72Å; M119-W163 HydrophobicContact CE-CZ2 3.92Å; M119-W163 HydrophobicContact SD-CH2 4.25Å; M119-L173 HydrophobicContact CB-CD1 3.59Å; M119-L173 HydrophobicContact CB-CD2 4.2Å; M119-L173 HydrophobicContact CE-CD1 3.79Å; M119-L173 HydrophobicContact SD-CD1 4.23Å; M119-I175 HydrophobicContact CE-CD1 4.44Å; M119-I175 HydrophobicContact SD-CD1 3.9Å
120	K	98.9	Very high	98.8	Very high	83 Å²	83	39.5 Å²	39.5	36%	0.361	19%	0.191	S	C	.	.	H	α-helix	trans	-64.4	-44	174.7	-76.4	-177.3	-64.7	-161.7	0	112.1	W116 W117 L118 A122 K123 K124 H171 L173	W116-K120 VanDerWaalsContact O-CE 3.27Å; W116-K120 WeakPolarHBondContact O-CE 3.43Å; W116-K120 WeakPolarHBondContact O-CG 3.4Å; W116-K120 PolarHBondContact O-N 2.88Å; W117-K120 PolarHBondContact O-N 3.19Å; L118-K120 VanDerWaalsContact C-N 3.34Å; L118-K120 PolarHBondContact O-N 3.12Å; K120-A122 VanDerWaalsContact C-N 3.33Å; K120-A122 PolarHBondContact O-N 3.08Å; K120-K123 PolarHBondContact O-N 3.5Å; K120-K124 VanDerWaalsContact O-CB 3.28Å; K120-K124 WeakPolarHBondContact O-CB 3.45Å; K120-K124 PolarHBondContact O-N 2.82Å; K120-H171 HydrophobicContact CD-CB 4.05Å; K120-H171 HydrophobicContact CG-CB 4.32Å; K120-H171 PolarHBondContact NZ-ND1 3.32Å; K120-L173 HydrophobicContact CG-CD1 4.24Å; K120-L173 HydrophobicContact CG-CD2 4.15Å; K120-L173 HydrophobicContact CG-CG 4.37Å
121	E	98.9	Very high	98.9	Very high	39 Å²	39	39.2 Å²	39.2	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-34.7	178.4	-74.7	-58.7	136.2	0	0	112.7	L68 W117 L118 R125	L68-E121 HydrophobicContact CD1-CB 3.93Å; L68-E121 HydrophobicContact CD1-CG 3.92Å; L68-E121 HydrophobicContact CD2-CB 4.27Å; W117-E121 HydrophobicContact CD2-CG 4.29Å; W117-E121 HydrophobicContact CG-CG 4.49Å; W117-E121 HydrophobicContact CZ2-CG 4.01Å; W117-E121 PolarHBondContact O-N 2.95Å; L118-E121 PolarHBondContact O-N 3.33Å; E121-R125 PolarHBondContact O-N 2.85Å; E121-R125 PolarHBondContact O-NH1 3.32Å; E121-R125 IonicContact OE2-CZ 2.66Å; E121-R125 IonicContact OE2-NH1 2.97Å; E121-R125 PolarHBondContact OE2-NH1 3.37Å; E121-R125 IonicContact OE2-NH2 2.75Å
122	A	98.9	Very high	98.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-50.9	172.5	0	0	0	0	0	111.3	F72 L83 L118 M119 K120 K124 R125 N126 I129	F72-A122 HydrophobicContact CB-CB 4.48Å; F72-A122 HydrophobicContact CD1-CB 3.78Å; F72-A122 HydrophobicContact CD2-CB 3.82Å; F72-A122 HydrophobicContact CE1-CB 3.85Å; F72-A122 HydrophobicContact CE2-CB 3.87Å; F72-A122 HydrophobicContact CG-CB 3.76Å; F72-A122 HydrophobicContact CZ-CB 3.87Å; L83-A122 HydrophobicContact CD2-CB 3.9Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.15Å; M119-A122 PolarHBondContact O-N 3.33Å; K120-A122 VanDerWaalsContact C-N 3.33Å; K120-A122 PolarHBondContact O-N 3.08Å; A122-K124 VanDerWaalsContact C-N 3.3Å; A122-K124 PolarHBondContact O-N 2.82Å; A122-R125 PolarHBondContact O-N 3.48Å; A122-R125 VanDerWaalsContact O-N 3.07Å; A122-N126 PolarHBondContact O-N 3.37Å; A122-I129 HydrophobicContact CB-CD1 3.94Å; A122-I129 HydrophobicContact CB-CG2 4.43Å
123	K	98.9	Very high	98.9	Very high	42 Å²	42	33 Å²	33	18%	0.183	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-36.7	177.1	-83.5	-74	-175	-169.5	0	113.1	M119 K120 R125 N126 P127 I129 L131 L173	M119-K123 WeakPolarHBondContact O-CB 3.33Å; M119-K123 PolarHBondContact O-N 2.83Å; K120-K123 PolarHBondContact O-N 3.5Å; K123-R125 PolarHBondContact O-N 3.22Å; K123-N126 CarbonylContact O-C 3.51Å; K123-N126 VanDerWaalsContact O-C 3.25Å; K123-P127 WeakPolarHBondContact CD-O 3.49Å; K123-P127 PolarHBondContact NZ-O 3.25Å; K123-P127 VanDerWaalsContact O-CA 3.31Å; K123-P127 WeakPolarHBondContact O-CA 3.29Å; K123-P127 VanDerWaalsContact O-N 3.09Å; K123-I129 HydrophobicContact CD-CG2 3.82Å; K123-I129 WeakPolarHBondContact CE-O 3.26Å; K123-I129 HydrophobicContact CG-CG2 4Å; K123-I129 PolarHBondContact NZ-O 2.86Å; K123-L131 HydrophobicContact CG-CD1 4.21Å; K123-L173 HydrophobicContact CB-CD2 4.47Å; K123-L173 HydrophobicContact CG-CD2 3.96Å
124	K	98.9	Very high	98.9	Very high	157 Å²	157	32.5 Å²	32.5	68%	0.683	16%	0.157	S	C	*	.	H	α-helix	trans	-60.5	-33.7	175.7	-176.8	179.7	177.3	-174.7	0	112.5	K120 A122	K120-K124 VanDerWaalsContact O-CB 3.28Å; K120-K124 WeakPolarHBondContact O-CB 3.45Å; K120-K124 PolarHBondContact O-N 2.82Å; A122-K124 VanDerWaalsContact C-N 3.3Å; A122-K124 PolarHBondContact O-N 2.82Å
125	R	98.9	Very high	98.9	Very high	33 Å²	33	32 Å²	32	13%	0.125	16%	0.156	C	C	.	.	H	α-helix	trans	-88.4	-42.6	178.9	-73.6	168.9	176.3	74.7	0.5	112.4	S65 L68 D69 F72 P74 E121 A122 K123	S65-R125 PolarHBondContact O-NH2 2.96Å; S65-R125 PolarHBondContact OG-NH2 3.32Å; L68-R125 VanDerWaalsContact CB-CZ 3.42Å; L68-R125 WeakPolarHBondContact O-CD 3.3Å; D69-R125 IonicContact OD1-CZ 3.44Å; D69-R125 IonicContact OD1-NE 3.49Å; D69-R125 PolarHBondContact OD1-NE 3.36Å; D69-R125 IonicContact OD1-NH2 2.82Å; D69-R125 PolarHBondContact OD1-NH2 3.29Å; F72-R125 HydrophobicContact CB-CB 4.01Å; P74-R125 VanDerWaalsContact CD-O 3.27Å; P74-R125 WeakPolarHBondContact CD-O 3.33Å; E121-R125 PolarHBondContact O-N 2.85Å; E121-R125 PolarHBondContact O-NH1 3.32Å; E121-R125 IonicContact OE2-CZ 2.66Å; E121-R125 IonicContact OE2-NH1 2.97Å; E121-R125 PolarHBondContact OE2-NH1 3.37Å; E121-R125 IonicContact OE2-NH2 2.75Å; A122-R125 PolarHBondContact O-N 3.48Å; A122-R125 VanDerWaalsContact O-N 3.07Å; K123-R125 PolarHBondContact O-N 3.22Å
126	N	98.8	Very high	98.9	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.064	15%	0.154	C	C	.	.			trans	-130.2	92.2	178.3	-178.5	7.4	0	0	0	109.7	P74 L80 A122 K123 N128 I129	P74-N126 HydrophobicContact CG-CB 4.16Å; L80-N126 PolarHBondContact O-ND2 2.9Å; A122-N126 PolarHBondContact O-N 3.37Å; K123-N126 CarbonylContact O-C 3.51Å; K123-N126 VanDerWaalsContact O-C 3.25Å; N126-N128 PolarHBondContact O-N 2.79Å; N126-N128 VanDerWaalsContact O-N 3.08Å; N126-N128 PolarHBondContact OD1-N 3.41Å; N126-N128 VanDerWaalsContact OD1-N 3.15Å; N126-I129 HydrophobicContact CB-CB 4.25Å; N126-I129 WeakPolarHBondContact O-CB 3.47Å; N126-I129 WeakPolarHBondContact O-CG2 3.42Å; N126-I129 PolarHBondContact O-N 2.89Å; N126-I129 PolarHBondContact OD1-N 3.34Å
127	P	98.7	Very high	98.9	Very high	88 Å²	88	30.9 Å²	30.9	57%	0.571	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.3	178.4	-27.2	36	0	0	0	113.7	K123	K123-P127 WeakPolarHBondContact CD-O 3.49Å; K123-P127 PolarHBondContact NZ-O 3.25Å; K123-P127 VanDerWaalsContact O-CA 3.31Å; K123-P127 WeakPolarHBondContact O-CA 3.29Å; K123-P127 VanDerWaalsContact O-N 3.09Å
128	N	98.5	Very high	98.9	Very high	129 Å²	129	29.1 Å²	29.1	69%	0.69	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	1.8	-179.2	-63.2	-26.3	0	0	0	113.5	N126 T130	N126-N128 PolarHBondContact O-N 2.79Å; N126-N128 VanDerWaalsContact O-N 3.08Å; N126-N128 PolarHBondContact OD1-N 3.41Å; N126-N128 VanDerWaalsContact OD1-N 3.15Å; N128-T130 PolarHBondContact O-N 3.27Å
129	I	98.9	Very high	98.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-59.2	136.7	178.5	-158.2	173.7	0	0	0	110.4	F72 H81 L83 A122 K123 N126 L131 Q176	F72-I129 HydrophobicContact CD1-CD1 3.66Å; F72-I129 HydrophobicContact CE1-CD1 3.92Å; H81-I129 WeakPolarHBondContact O-CG1 3.23Å; L83-I129 HydrophobicContact CB-CD1 3.77Å; L83-I129 HydrophobicContact CB-CG1 4.45Å; A122-I129 HydrophobicContact CB-CD1 3.94Å; A122-I129 HydrophobicContact CB-CG2 4.43Å; K123-I129 HydrophobicContact CD-CG2 3.82Å; K123-I129 WeakPolarHBondContact CE-O 3.26Å; K123-I129 HydrophobicContact CG-CG2 4Å; K123-I129 PolarHBondContact NZ-O 2.86Å; N126-I129 HydrophobicContact CB-CB 4.25Å; N126-I129 WeakPolarHBondContact O-CB 3.47Å; N126-I129 WeakPolarHBondContact O-CG2 3.42Å; N126-I129 PolarHBondContact O-N 2.89Å; N126-I129 PolarHBondContact OD1-N 3.34Å; I129-L131 HydrophobicContact CG2-CD2 3.94Å; I129-Q176 PolarHBondContact O-NE2 2.69Å
130	T	98.9	Very high	98.8	Very high	22 Å²	22	29.5 Å²	29.5	14%	0.135	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.6	173.6	-62.9	0	0	0	0	109.1	H81 I82 L83 N128 I132 Q176 Y177	H81-T130 PolarHBondContact O-N 3.5Å; I82-T130 CarbonylContact C-O 3.55Å; I82-T130 WeakPolarHBondContact CA-O 3.16Å; I82-T130 HydrophobicContact CG1-CG2 4.38Å; L83-T130 PolarHBondContact N-O 3.17Å; N128-T130 PolarHBondContact O-N 3.27Å; T130-I132 HydrophobicContact CG2-CG1 4.17Å; T130-Q176 HydrophobicContact CG2-CB 4.17Å; T130-Y177 HydrophobicContact CG2-CD2 3.94Å; T130-Y177 HydrophobicContact CG2-CE2 4.02Å
131	L	98.9	Very high	98.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.5	175.9	-57.4	-179.3	0	0	0	109.5	L83 M119 K123 I129 L173 I175 Q176 Y177	L83-L131 HydrophobicContact CB-CD2 4.12Å; L83-L131 HydrophobicContact CD2-CD2 4.18Å; L83-L131 HydrophobicContact CG-CD2 4.49Å; L83-L131 WeakPolarHBondContact O-CA 3.44Å; M119-L131 HydrophobicContact CB-CD1 4.26Å; M119-L131 HydrophobicContact CB-CD2 4.32Å; M119-L131 HydrophobicContact CG-CD1 4.4Å; M119-L131 HydrophobicContact CG-CD2 4.06Å; M119-L131 HydrophobicContact SD-CB 4.49Å; M119-L131 HydrophobicContact SD-CD1 4.04Å; M119-L131 HydrophobicContact SD-CD2 4.36Å; K123-L131 HydrophobicContact CG-CD1 4.21Å; I129-L131 HydrophobicContact CG2-CD2 3.94Å; L131-L173 HydrophobicContact CD1-CB 4.26Å; L131-L173 HydrophobicContact CD1-CD2 4.03Å; L131-I175 HydrophobicContact CB-CD1 4.15Å; L131-I175 HydrophobicContact CD1-CD1 4.33Å; L131-Q176 PolarHBondContact O-N 2.87Å; L131-Q176 PolarHBondContact O-OE1 2.97Å; L131-Y177 PolarHBondContact O-N 2.89Å
132	I	98.9	Very high	98.7	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.6	177.1	-51.5	179.6	0	0	0	107.9	I82 L83 K84 V85 T130 Y177 W255 I289	I82-I132 HydrophobicContact CG2-CD1 3.47Å; I82-I132 VanDerWaalsContact CG2-CD1 3.47Å; I82-I132 HydrophobicContact CG2-CG1 3.98Å; L83-I132 PolarHBondContact O-N 3.21Å; K84-I132 CarbonylContact C-O 3.5Å; K84-I132 WeakPolarHBondContact CA-O 3.3Å; K84-I132 HydrophobicContact CB-CB 4.05Å; K84-I132 HydrophobicContact CD-CG2 4.32Å; K84-I132 HydrophobicContact CG-CB 4.06Å; K84-I132 HydrophobicContact CG-CG2 4Å; V85-I132 PolarHBondContact N-O 3.07Å; T130-I132 HydrophobicContact CG2-CG1 4.17Å; I132-Y177 WeakPolarHBondContact CA-O 3.36Å; I132-Y177 HydrophobicContact CG1-CD2 4.31Å; I132-W255 HydrophobicContact CD1-CE3 4.4Å; I132-W255 HydrophobicContact CD1-CH2 4.45Å; I132-W255 HydrophobicContact CD1-CZ3 3.7Å; I132-I289 HydrophobicContact CD1-CD1 3.8Å
133	A	98.9	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.4	176.4	0	0	0	0	0	111.6	V85 I87 W163 I175 Y177 I178 G179	V85-A133 HydrophobicContact CG2-CB 4.33Å; V85-A133 WeakPolarHBondContact O-CA 3.49Å; I87-A133 HydrophobicContact CD1-CB 3.88Å; I87-A133 HydrophobicContact CG1-CB 3.78Å; A133-W163 HydrophobicContact CB-CE3 4.01Å; A133-W163 HydrophobicContact CB-CH2 3.47Å; A133-W163 VanDerWaalsContact CB-CH2 3.47Å; A133-W163 HydrophobicContact CB-CZ2 4.34Å; A133-W163 HydrophobicContact CB-CZ3 3.25Å; A133-I175 HydrophobicContact CB-CG2 4.21Å; A133-Y177 PolarHBondContact N-O 3.34Å; A133-I178 CarbonylContact O-C 3.5Å; A133-I178 VanDerWaalsContact O-CA 3.29Å; A133-I178 WeakPolarHBondContact O-CA 3.5Å; A133-G179 PolarHBondContact O-N 3.41Å
134	L	98.9	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	129.9	-177.9	168.3	61.3	0	0	0	110.4	V85 E86 I87 W136 N182 D212	V85-L134 PolarHBondContact O-N 2.69Å; V85-L134 VanDerWaalsContact O-N 3.09Å; E86-L134 CarbonylContact C-O 3.52Å; E86-L134 WeakPolarHBondContact CA-O 3.21Å; I87-L134 PolarHBondContact N-O 3.05Å; L134-W136 HydrophobicContact CB-CE3 4.48Å; L134-W136 HydrophobicContact CB-CH2 4.49Å; L134-W136 HydrophobicContact CB-CZ3 3.85Å; L134-W136 HydrophobicContact CD2-CE3 4.49Å; L134-W136 HydrophobicContact CD2-CH2 3.92Å; L134-W136 HydrophobicContact CD2-CZ2 4.49Å; L134-W136 HydrophobicContact CD2-CZ3 3.93Å; L134-W136 HydrophobicContact CG-CE3 4.1Å; L134-W136 HydrophobicContact CG-CH2 4.3Å; L134-W136 HydrophobicContact CG-CZ3 3.78Å; L134-W136 VanDerWaalsContact O-CE3 3.22Å; L134-W136 VanDerWaalsContact O-CZ3 3.27Å; L134-W136 WeakPolarHBondContact O-CZ3 3.34Å; L134-N182 HydrophobicContact CD1-CB 4.31Å; L134-N182 HydrophobicContact CD2-CB 3.87Å; L134-N182 VanDerWaalsContact CD2-OD1 3.27Å; L134-N182 WeakPolarHBondContact CD2-OD1 3.44Å; L134-N182 HydrophobicContact CG-CB 4.07Å; L134-D212 HydrophobicContact CD1-CB 4.38Å; L134-D212 HydrophobicContact CD2-CB 3.73Å
135	P	98.9	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.2	169.3	29.5	-34.7	0	0	0	111.9	I87 F138 I180 N182	I87-P135 HydrophobicContact CB-CB 4.27Å; P135-F138 HydrophobicContact CB-CD1 4.46Å; P135-F138 HydrophobicContact CB-CE1 3.75Å; P135-F138 HydrophobicContact CB-CE2 4.32Å; P135-F138 HydrophobicContact CB-CZ 3.67Å; P135-F138 HydrophobicContact CG-CE1 3.84Å; P135-F138 HydrophobicContact CG-CE2 4.46Å; P135-F138 HydrophobicContact CG-CZ 3.54Å; P135-I180 VanDerWaalsContact CG-O 3.29Å; P135-I180 WeakPolarHBondContact CG-O 3.49Å; P135-N182 PolarHBondContact O-N 3.03Å
136	W	98.8	Very high	97.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.008	17%	0.166	C	C	.	.	S	Bend	trans	-89.8	-40.8	163.8	-88.3	-117.4	0	0	0	110.9	L46 G49 E86 T93 L134 W181 N182 W524	L46-W136 HydrophobicContact CD1-CH2 3.77Å; L46-W136 HydrophobicContact CD1-CZ2 3.97Å; L46-W136 HydrophobicContact CD2-CH2 3.75Å; L46-W136 HydrophobicContact CD2-CZ2 4.12Å; L46-W136 HydrophobicContact CG-CH2 4.08Å; G49-W136 VanDerWaalsContact CA-NE1 3.28Å; E86-W136 HydrophobicContact CB-CE3 3.84Å; E86-W136 HydrophobicContact CB-CZ3 3.88Å; E86-W136 HydrophobicContact CG-CD2 4.49Å; E86-W136 HydrophobicContact CG-CE3 3.75Å; E86-W136 HydrophobicContact CG-CZ3 4.3Å; T93-W136 HydrophobicContact CG2-CB 3.35Å; T93-W136 HydrophobicContact CG2-CG 4.12Å; L134-W136 HydrophobicContact CB-CE3 4.48Å; L134-W136 HydrophobicContact CB-CH2 4.49Å; L134-W136 HydrophobicContact CB-CZ3 3.85Å; L134-W136 HydrophobicContact CD2-CE3 4.49Å; L134-W136 HydrophobicContact CD2-CH2 3.92Å; L134-W136 HydrophobicContact CD2-CZ2 4.49Å; L134-W136 HydrophobicContact CD2-CZ3 3.93Å; L134-W136 HydrophobicContact CG-CE3 4.1Å; L134-W136 HydrophobicContact CG-CH2 4.3Å; L134-W136 HydrophobicContact CG-CZ3 3.78Å; L134-W136 VanDerWaalsContact O-CE3 3.22Å; L134-W136 VanDerWaalsContact O-CZ3 3.27Å; L134-W136 WeakPolarHBondContact O-CZ3 3.34Å; W136-W181 PolarHBondContact O-NE1 2.98Å; W136-N182 HydrophobicContact CB-CB 4.38Å; W136-N182 HydrophobicContact CD2-CB 3.6Å; W136-N182 VanDerWaalsContact CE2-ND2 3.28Å; W136-N182 HydrophobicContact CE3-CB 4.17Å; W136-N182 HydrophobicContact CG-CB 3.69Å; W136-N182 HydrophobicContact CZ2-CB 4.29Å; W136-N182 PolarHBondContact NE1-ND2 2.82Å; W136-W524 HydrophobicContact CB-CB 4.34Å; W136-W524 HydrophobicContact CB-CG 4.21Å; W136-W524 AromaticContact CD1-CD2 3.74Å; W136-W524 AromaticContact CD1-CE2 3.59Å; W136-W524 AromaticContact CD1-CZ2 3.92Å; W136-W524 AromaticContact CD1-NE1 3.81Å; W136-W524 VanDerWaalsContact O-CB 3.32Å; W136-W524 WeakPolarHBondContact O-CB 3.25Å; W136-W524 VanDerWaalsContact O-CD1 3.3Å
137	A	98.6	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.			trans	-133	174.3	-178.5	0	0	0	0	0	110.7	A91 T93 I522 W524	A91-A137 HydrophobicContact CB-CB 3.45Å; A91-A137 VanDerWaalsContact CB-CB 3.45Å; T93-A137 HydrophobicContact CG2-CB 4.05Å; A137-I522 WeakPolarHBondContact CB-O 3.35Å; A137-W524 HydrophobicContact CB-CB 4.34Å
138	F	98.8	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-138.4	150.2	174.3	-57.9	-91.9	0	0	0	110.1	G89 P135 V142 P149 T156 Y159 V160 W181 P521 I522	G89-F138 CarbonylContact O-C 3.59Å; G89-F138 VanDerWaalsContact O-C 3.31Å; P135-F138 HydrophobicContact CB-CD1 4.46Å; P135-F138 HydrophobicContact CB-CE1 3.75Å; P135-F138 HydrophobicContact CB-CE2 4.32Å; P135-F138 HydrophobicContact CB-CZ 3.67Å; P135-F138 HydrophobicContact CG-CE1 3.84Å; P135-F138 HydrophobicContact CG-CE2 4.46Å; P135-F138 HydrophobicContact CG-CZ 3.54Å; F138-V142 HydrophobicContact CB-CB 4.25Å; F138-V142 HydrophobicContact CB-CG1 4.34Å; F138-V142 HydrophobicContact CB-CG2 4.4Å; F138-V142 HydrophobicContact CD1-CG1 4.48Å; F138-P149 HydrophobicContact CD2-CB 3.76Å; F138-P149 HydrophobicContact CD2-CG 4.16Å; F138-P149 HydrophobicContact CE2-CB 3.79Å; F138-P149 HydrophobicContact CE2-CG 3.93Å; F138-P149 HydrophobicContact CG-CB 4.35Å; F138-P149 HydrophobicContact CZ-CB 4.4Å; F138-T156 HydrophobicContact CD1-CG2 4.22Å; F138-T156 HydrophobicContact CE1-CG2 3.73Å; F138-T156 HydrophobicContact CZ-CG2 4.05Å; F138-Y159 AromaticContact CD1-CD1 3.79Å; F138-Y159 HydrophobicContact CD1-CD1 3.79Å; F138-Y159 AromaticContact CD1-CE1 3.7Å; F138-Y159 HydrophobicContact CD1-CE1 3.7Å; F138-Y159 HydrophobicContact CE1-CD1 4.14Å; F138-Y159 HydrophobicContact CE1-CE1 4.19Å; F138-V160 HydrophobicContact CE1-CG2 4.15Å; F138-W181 HydrophobicContact CE2-CB 4.43Å; F138-W181 AromaticContact CE2-CD1 3.71Å; F138-W181 HydrophobicContact CE2-CD2 4.11Å; F138-W181 AromaticContact CE2-CG 3.86Å; F138-W181 HydrophobicContact CE2-CG 3.86Å; F138-W181 AromaticContact CE2-NE1 3.86Å; F138-P521 WeakPolarHBondContact O-CB 3.39Å; F138-I522 HydrophobicContact CB-CB 4.09Å; F138-I522 HydrophobicContact CB-CD1 4.01Å; F138-I522 HydrophobicContact CB-CG1 4.3Å; F138-I522 PolarHBondContact N-O 3.3Å; F138-I522 WeakPolarHBondContact O-CB 3.49Å; F138-I522 PolarHBondContact O-N 2.91Å
139	P	98.6	Very high	97	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.144	C	C	.	.			trans	-54.8	149.5	169	-26.4	35.9	0	0	0	112.3	S100 M102 W141 V142 Y159	S100-P139 VanDerWaalsContact OG-CG 3.25Å; S100-P139 WeakPolarHBondContact OG-CG 3.49Å; M102-P139 WeakPolarHBondContact O-CG 3.42Å; P139-W141 VanDerWaalsContact C-N 3.28Å; P139-W141 VanDerWaalsContact CB-CD1 3.49Å; P139-W141 HydrophobicContact CB-CG 4.48Å; P139-W141 PolarHBondContact O-N 3.3Å; P139-V142 HydrophobicContact CB-CG2 4.48Å; P139-V142 WeakPolarHBondContact O-CB 3.42Å; P139-V142 PolarHBondContact O-N 3.41Å; P139-Y159 WeakPolarHBondContact CD-OH 3.4Å; P139-Y159 HydrophobicContact CG-CE2 3.88Å
140	G	97.9	Very high	97	Very high	7 Å²	7	28.6 Å²	28.6	7%	0.072	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-58.4	-37.7	-172.8	0	0	0	0	0	113.8	V142 G143	G140-V142 PolarHBondContact O-N 3.21Å; G140-G143 PolarHBondContact O-N 3.48Å
141	W	98.1	Very high	96.9	Very high	30 Å²	30	30.8 Å²	30.8	11%	0.114	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62	-29.4	-176.9	69.1	-96.1	0	0	0	112.9	M102 E105 P139 G143 R144 V155 Y159 E519	M102-W141 HydrophobicContact CB-CZ2 3.87Å; M102-W141 HydrophobicContact CE-CH2 4.01Å; M102-W141 HydrophobicContact CE-CZ2 3.86Å; M102-W141 PolarHBondContact O-NE1 3Å; M102-W141 HydrophobicContact SD-CH2 4.31Å; M102-W141 HydrophobicContact SD-CZ2 4.02Å; E105-W141 HydrophobicContact CB-CB 4.5Å; E105-W141 HydrophobicContact CB-CD2 3.89Å; E105-W141 HydrophobicContact CB-CE3 3.72Å; E105-W141 HydrophobicContact CB-CG 4.24Å; E105-W141 HydrophobicContact CB-CZ3 4.23Å; E105-W141 HydrophobicContact CG-CD2 4.45Å; E105-W141 HydrophobicContact CG-CE3 3.78Å; E105-W141 HydrophobicContact CG-CZ3 3.91Å; P139-W141 VanDerWaalsContact C-N 3.28Å; P139-W141 VanDerWaalsContact CB-CD1 3.49Å; P139-W141 HydrophobicContact CB-CG 4.48Å; P139-W141 PolarHBondContact O-N 3.3Å; W141-G143 PolarHBondContact O-N 2.78Å; W141-R144 PolarHBondContact O-N 2.96Å; W141-V155 HydrophobicContact CE3-CG1 4.35Å; W141-V155 HydrophobicContact CZ3-CG1 3.7Å; W141-Y159 HydrophobicContact CZ2-CD2 4Å; W141-E519 VanDerWaalsContact CA-OE1 3.3Å; W141-E519 WeakPolarHBondContact CA-OE1 3.2Å; W141-E519 VanDerWaalsContact CB-OE1 3.29Å; W141-E519 WeakPolarHBondContact CB-OE1 3.47Å; W141-E519 PolarHBondContact N-OE1 2.93Å
142	V	98.2	Very high	96.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.2	-36.8	176.3	175.2	0	0	0	0	110.6	F138 P139 G140 R144 T156 Y159 I522	F138-V142 HydrophobicContact CB-CB 4.25Å; F138-V142 HydrophobicContact CB-CG1 4.34Å; F138-V142 HydrophobicContact CB-CG2 4.4Å; F138-V142 HydrophobicContact CD1-CG1 4.48Å; P139-V142 HydrophobicContact CB-CG2 4.48Å; P139-V142 WeakPolarHBondContact O-CB 3.42Å; P139-V142 PolarHBondContact O-N 3.41Å; G140-V142 PolarHBondContact O-N 3.21Å; V142-R144 VanDerWaalsContact C-N 3.3Å; V142-R144 PolarHBondContact O-N 3.28Å; V142-T156 HydrophobicContact CG1-CG2 4.2Å; V142-T156 VanDerWaalsContact CG1-OG1 3.25Å; V142-T156 WeakPolarHBondContact CG1-OG1 3.48Å; V142-Y159 HydrophobicContact CG2-CD2 4.2Å; V142-Y159 HydrophobicContact CG2-CG 4.24Å; V142-I522 HydrophobicContact CB-CD1 4.28Å; V142-I522 HydrophobicContact CG1-CD1 4.4Å
143	G	96.7	Very high	96.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-85.1	-1.7	179.5	0	0	0	0	0	113.8	G140 W141 G145 K146	G140-G143 PolarHBondContact O-N 3.48Å; W141-G143 PolarHBondContact O-N 2.78Å; G143-G145 VanDerWaalsContact C-N 3.28Å; G143-G145 PolarHBondContact O-N 3.42Å; G143-K146 WeakPolarHBondContact CA-O 3.47Å; G143-K146 PolarHBondContact O-N 3.44Å
144	R	93.9	Very high	96.8	Very high	138 Å²	138	38.5 Å²	38.5	52%	0.521	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	49.2	-176	-61.2	-168.1	168	-165.7	-5.8	112.9	W141 V142 F152	W141-R144 PolarHBondContact O-N 2.96Å; V142-R144 VanDerWaalsContact C-N 3.3Å; V142-R144 PolarHBondContact O-N 3.28Å; R144-F152 HydrophobicContact CB-CD2 4.06Å; R144-F152 HydrophobicContact CB-CE2 3.69Å; R144-F152 HydrophobicContact CB-CZ 4.39Å; R144-F152 HydrophobicContact CG-CD2 3.84Å; R144-F152 HydrophobicContact CG-CE2 3.9Å; R144-F152 HydrophobicContact CG-CG 4.46Å
145	G	82.4	Confident	96.8	Very high	72 Å²	72	39.3 Å²	39.3	74%	0.742	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	10.1	179.3	0	0	0	0	0	115	G143	G143-G145 VanDerWaalsContact C-N 3.28Å; G143-G145 PolarHBondContact O-N 3.42Å
146	K	91.9	Very high	96.8	Very high	121 Å²	121	39.3 Å²	39.3	53%	0.526	20%	0.201	S	C	.	.	S	Bend	trans	-120.2	148.2	172	-64.3	-178.3	-176	178.2	0	111.4	G143 W148 D151	G143-K146 WeakPolarHBondContact CA-O 3.47Å; G143-K146 PolarHBondContact O-N 3.44Å; K146-W148 PolarHBondContact O-N 3.18Å; K146-D151 WeakPolarHBondContact CD-OD2 3.27Å; K146-D151 WeakPolarHBondContact CE-OD2 3.38Å; K146-D151 IonicContact NZ-OD2 3.17Å; K146-D151 PolarHBondContact NZ-OD2 3.29Å
147	N	95.6	Very high	96.8	Very high	94 Å²	94	39.2 Å²	39.2	50%	0.503	20%	0.2	S	C	.	.	S	Bend	trans	-77.9	55.3	170.5	-166.3	11.5	0	0	0	111.1	I522 T523	N147-I522 WeakPolarHBondContact OD1-CA 3.44Å; N147-I522 VanDerWaalsContact OD1-CG2 3.25Å; N147-I522 WeakPolarHBondContact OD1-CG2 3.11Å; N147-T523 PolarHBondContact ND2-OG1 3.35Å; N147-T523 PolarHBondContact OD1-N 2.87Å
148	W	97.9	Very high	96.8	Very high	97 Å²	97	41.4 Å²	41.4	37%	0.367	22%	0.218	S	C	.	.			trans	-156.1	123.4	-178.4	-169.9	-112.7	0	0	0	112.4	K146 Y150 W181	K146-W148 PolarHBondContact O-N 3.18Å; W148-Y150 AromaticContact CE2-CD2 3.84Å; W148-Y150 HydrophobicContact CH2-CD2 4.31Å; W148-Y150 AromaticContact CZ2-CD2 3.68Å; W148-Y150 HydrophobicContact CZ2-CD2 3.68Å; W148-Y150 HydrophobicContact CZ2-CE2 4.38Å; W148-W181 HydrophobicContact CE3-CH2 4.15Å; W148-W181 AromaticContact CE3-CZ3 3.88Å; W148-W181 HydrophobicContact CE3-CZ3 3.88Å; W148-W181 HydrophobicContact CH2-CZ3 4.35Å; W148-W181 HydrophobicContact CZ3-CH2 4.25Å; W148-W181 AromaticContact CZ3-CZ3 3.72Å; W148-W181 HydrophobicContact CZ3-CZ3 3.72Å
149	P	98.1	Very high	96.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.4	-171.8	34.6	-35.3	0	0	0	114.2	F138 T156 W181 I522	F138-P149 HydrophobicContact CD2-CB 3.76Å; F138-P149 HydrophobicContact CD2-CG 4.16Å; F138-P149 HydrophobicContact CE2-CB 3.79Å; F138-P149 HydrophobicContact CE2-CG 3.93Å; F138-P149 HydrophobicContact CG-CB 4.35Å; F138-P149 HydrophobicContact CZ-CB 4.4Å; P149-T156 HydrophobicContact CB-CG2 4.07Å; P149-T156 WeakPolarHBondContact O-CB 3.36Å; P149-T156 PolarHBondContact O-OG1 2.91Å; P149-W181 VanDerWaalsContact CD-CH2 3.4Å; P149-W181 HydrophobicContact CG-CD2 3.94Å; P149-W181 HydrophobicContact CG-CE3 3.48Å; P149-W181 VanDerWaalsContact CG-CE3 3.48Å; P149-W181 HydrophobicContact CG-CH2 3.82Å; P149-W181 HydrophobicContact CG-CZ2 4.25Å; P149-W181 HydrophobicContact CG-CZ3 3.42Å; P149-W181 VanDerWaalsContact CG-CZ3 3.42Å; P149-I522 HydrophobicContact CB-CD1 4.02Å
150	Y	98.3	Very high	96.8	Very high	11 Å²	11	41.5 Å²	41.5	4%	0.043	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	4.7	-171.7	-51.3	-52.6	0	0	0	115.6	W148 F152 I180 W181 S185 N187 Y190	W148-Y150 AromaticContact CE2-CD2 3.84Å; W148-Y150 HydrophobicContact CH2-CD2 4.31Å; W148-Y150 AromaticContact CZ2-CD2 3.68Å; W148-Y150 HydrophobicContact CZ2-CD2 3.68Å; W148-Y150 HydrophobicContact CZ2-CE2 4.38Å; Y150-F152 PolarHBondContact O-N 3.26Å; Y150-I180 WeakPolarHBondContact OH-CG2 3.48Å; Y150-W181 AromaticContact CE2-CE3 3.72Å; Y150-W181 HydrophobicContact CE2-CE3 3.72Å; Y150-W181 HydrophobicContact CE2-CZ3 4.17Å; Y150-W181 AromaticContact CZ-CE3 3.94Å; Y150-W181 VanDerWaalsContact OH-CB 3.24Å; Y150-W181 WeakPolarHBondContact OH-CB 3.23Å; Y150-S185 VanDerWaalsContact CE2-O 3.26Å; Y150-S185 WeakPolarHBondContact CE2-O 3.19Å; Y150-N187 HydrophobicContact CD1-CB 3.99Å; Y150-N187 HydrophobicContact CD2-CB 3.52Å; Y150-N187 HydrophobicContact CE1-CB 4.31Å; Y150-N187 HydrophobicContact CE2-CB 3.89Å; Y150-N187 HydrophobicContact CG-CB 3.55Å; Y150-Y190 HydrophobicContact CD1-CD1 4.08Å; Y150-Y190 HydrophobicContact CD1-CD2 4.07Å; Y150-Y190 AromaticContact CD1-CG 3.65Å; Y150-Y190 HydrophobicContact CD1-CG 3.65Å; Y150-Y190 AromaticContact CE1-CD1 3.44Å; Y150-Y190 HydrophobicContact CE1-CD1 3.44Å; Y150-Y190 VanDerWaalsContact CE1-CD1 3.44Å; Y150-Y190 HydrophobicContact CE1-CD2 4.11Å; Y150-Y190 AromaticContact CE1-CE1 3.96Å; Y150-Y190 HydrophobicContact CE1-CE1 3.96Å; Y150-Y190 AromaticContact CE1-CG 3.52Å; Y150-Y190 HydrophobicContact CE1-CG 3.52Å
151	D	97.1	Very high	96.8	Very high	68 Å²	68	41.4 Å²	41.4	36%	0.364	22%	0.216	S	C	.	.	S	Bend	trans	-65.5	-32.7	171.2	-84.6	5.5	0	0	0	110.9	K146	K146-D151 WeakPolarHBondContact CD-OD2 3.27Å; K146-D151 WeakPolarHBondContact CE-OD2 3.38Å; K146-D151 IonicContact NZ-OD2 3.17Å; K146-D151 PolarHBondContact NZ-OD2 3.29Å
152	F	97.5	Very high	96.9	Very high	71 Å²	71	41.2 Å²	41.2	31%	0.311	22%	0.218	S	C	.	.	S	Bend	trans	-126.6	71.2	178.1	-53.5	-82.1	0	0	0	110	R144 Y150 D154 V155 T156	R144-F152 HydrophobicContact CB-CD2 4.06Å; R144-F152 HydrophobicContact CB-CE2 3.69Å; R144-F152 HydrophobicContact CB-CZ 4.39Å; R144-F152 HydrophobicContact CG-CD2 3.84Å; R144-F152 HydrophobicContact CG-CE2 3.9Å; R144-F152 HydrophobicContact CG-CG 4.46Å; Y150-F152 PolarHBondContact O-N 3.26Å; F152-D154 PolarHBondContact O-N 2.69Å; F152-D154 VanDerWaalsContact O-N 3.16Å; F152-V155 HydrophobicContact CB-CB 4.02Å; F152-V155 HydrophobicContact CB-CG2 3.8Å; F152-V155 WeakPolarHBondContact O-CB 3.47Å; F152-V155 PolarHBondContact O-N 2.77Å; F152-T156 PolarHBondContact O-N 2.95Å; F152-T156 PolarHBondContact O-OG1 3.35Å
153	P	97.9	Very high	96.9	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-23.4	-170.1	26.5	-34.7	0	0	0	113.7	A157 K189 Y190	P153-A157 WeakPolarHBondContact O-CB 3.2Å; P153-A157 PolarHBondContact O-N 3.04Å; P153-K189 HydrophobicContact CG-CD 4.3Å; P153-Y190 HydrophobicContact CB-CD2 4.18Å
154	D	98.3	Very high	97	Very high	88 Å²	88	41.9 Å²	41.9	47%	0.471	22%	0.221	S	C	.	.	H	α-helix	trans	-68.5	-40	172.2	55.5	-48.9	0	0	0	112.4	F152 A158 V193	F152-D154 PolarHBondContact O-N 2.69Å; F152-D154 VanDerWaalsContact O-N 3.16Å; D154-A158 VanDerWaalsContact O-CB 3.3Å; D154-A158 WeakPolarHBondContact O-CB 3.25Å; D154-A158 PolarHBondContact O-N 2.76Å; D154-V193 HydrophobicContact CB-CG1 4.48Å
155	V	98.5	Very high	97.2	Very high	18 Å²	18	38.5 Å²	38.5	11%	0.109	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-48.3	175	177.2	0	0	0	0	110.1	W141 F152 A157 A158 Y159	W141-V155 HydrophobicContact CE3-CG1 4.35Å; W141-V155 HydrophobicContact CZ3-CG1 3.7Å; F152-V155 HydrophobicContact CB-CB 4.02Å; F152-V155 HydrophobicContact CB-CG2 3.8Å; F152-V155 WeakPolarHBondContact O-CB 3.47Å; F152-V155 PolarHBondContact O-N 2.77Å; V155-A157 PolarHBondContact O-N 2.83Å; V155-A158 PolarHBondContact O-N 2.97Å; V155-Y159 PolarHBondContact O-N 3.46Å
156	T	98.8	Very high	98	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-41.3	179	-52.3	0	0	0	0	112	F138 V142 P149 F152 A158 Y159 V160 Y190	F138-T156 HydrophobicContact CD1-CG2 4.22Å; F138-T156 HydrophobicContact CE1-CG2 3.73Å; F138-T156 HydrophobicContact CZ-CG2 4.05Å; V142-T156 HydrophobicContact CG1-CG2 4.2Å; V142-T156 VanDerWaalsContact CG1-OG1 3.25Å; V142-T156 WeakPolarHBondContact CG1-OG1 3.48Å; P149-T156 HydrophobicContact CB-CG2 4.07Å; P149-T156 WeakPolarHBondContact O-CB 3.36Å; P149-T156 PolarHBondContact O-OG1 2.91Å; F152-T156 PolarHBondContact O-N 2.95Å; F152-T156 PolarHBondContact O-OG1 3.35Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-Y159 WeakPolarHBondContact O-CB 3.23Å; T156-Y159 PolarHBondContact O-N 3.48Å; T156-V160 PolarHBondContact O-N 3.49Å; T156-V160 VanDerWaalsContact O-N 3.12Å; T156-Y190 HydrophobicContact CG2-CD2 4.34Å; T156-Y190 HydrophobicContact CG2-CE2 3.66Å
157	A	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.2	-41.1	175.4	0	0	0	0	0	111.1	P153 V155 Y159 V160 V161 Y190 V193 L194 M197	P153-A157 WeakPolarHBondContact O-CB 3.2Å; P153-A157 PolarHBondContact O-N 3.04Å; V155-A157 PolarHBondContact O-N 2.83Å; A157-Y159 VanDerWaalsContact C-N 3.34Å; A157-Y159 PolarHBondContact O-N 3.25Å; A157-V160 PolarHBondContact O-N 2.85Å; A157-V161 WeakPolarHBondContact O-CB 3.45Å; A157-V161 VanDerWaalsContact O-CG2 3.25Å; A157-V161 WeakPolarHBondContact O-CG2 3.39Å; A157-V161 PolarHBondContact O-N 3.12Å; A157-Y190 HydrophobicContact CB-CE2 4.13Å; A157-V193 HydrophobicContact CB-CG1 3.89Å; A157-L194 HydrophobicContact CB-CB 4.4Å; A157-L194 HydrophobicContact CB-CD1 4.23Å; A157-M197 HydrophobicContact CB-CE 4.01Å; A157-M197 HydrophobicContact CB-SD 3.91Å
158	A	98.8	Very high	98.5	Very high	45 Å²	45	28.9 Å²	28.9	37%	0.372	15%	0.146	S	C	.	.	H	α-helix	trans	-61.5	-43.5	176.7	0	0	0	0	0	111.5	D154 V155 T156 V160 V161 N162 M197	D154-A158 VanDerWaalsContact O-CB 3.3Å; D154-A158 WeakPolarHBondContact O-CB 3.25Å; D154-A158 PolarHBondContact O-N 2.76Å; V155-A158 PolarHBondContact O-N 2.97Å; T156-A158 VanDerWaalsContact C-N 3.34Å; A158-V160 PolarHBondContact O-N 3.47Å; A158-V161 PolarHBondContact O-N 3.37Å; A158-N162 VanDerWaalsContact O-CB 3.23Å; A158-N162 WeakPolarHBondContact O-CB 3.36Å; A158-N162 PolarHBondContact O-N 2.89Å; A158-M197 WeakPolarHBondContact CA-SD 3.5Å; A158-M197 HydrophobicContact CB-CE 4.19Å; A158-M197 HydrophobicContact CB-SD 3.96Å; A158-M197 PolarHBondContact N-SD 2.85Å
159	Y	98.9	Very high	98.5	Very high	2 Å²	2	31 Å²	31	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-55.2	-51.1	174.2	170	-95.9	0	0	0	112.3	I87 G88 S100 H101 M102 F138 P139 W141 V142 V155 T156 A157 N162 W163	I87-Y159 HydrophobicContact CG2-CE1 4.18Å; G88-Y159 PolarHBondContact O-OH 2.92Å; S100-Y159 WeakPolarHBondContact OG-CE2 3.31Å; S100-Y159 PolarHBondContact OG-OH 3.16Å; H101-Y159 AromaticContact CE1-CD2 3.57Å; H101-Y159 AromaticContact CE1-CE1 3.79Å; H101-Y159 AromaticContact CE1-CE2 3.15Å; H101-Y159 WeakPolarHBondContact CE1-CE2 3.33Å; H101-Y159 AromaticContact CE1-CZ 3.27Å; H101-Y159 PolarHBondContact CE1-O 2.93Å; H101-Y159 AromaticContact ND1-CE2 3.73Å; H101-Y159 AromaticContact ND1-CZ 3.77Å; H101-Y159 AromaticContact NE2-CD2 3.83Å; H101-Y159 AromaticContact NE2-CE2 3.81Å; H101-Y159 PolarHBondContact NE2-O 2.8Å; M102-Y159 HydrophobicContact CB-CD2 4.23Å; M102-Y159 HydrophobicContact CB-CE2 4.09Å; M102-Y159 HydrophobicContact CG-CD2 4.31Å; M102-Y159 HydrophobicContact CG-CE2 4.4Å; M102-Y159 HydrophobicContact SD-CD2 4.01Å; F138-Y159 AromaticContact CD1-CD1 3.79Å; F138-Y159 HydrophobicContact CD1-CD1 3.79Å; F138-Y159 AromaticContact CD1-CE1 3.7Å; F138-Y159 HydrophobicContact CD1-CE1 3.7Å; F138-Y159 HydrophobicContact CE1-CD1 4.14Å; F138-Y159 HydrophobicContact CE1-CE1 4.19Å; P139-Y159 WeakPolarHBondContact CD-OH 3.4Å; P139-Y159 HydrophobicContact CG-CE2 3.88Å; W141-Y159 HydrophobicContact CZ2-CD2 4Å; V142-Y159 HydrophobicContact CG2-CD2 4.2Å; V142-Y159 HydrophobicContact CG2-CG 4.24Å; V155-Y159 PolarHBondContact O-N 3.46Å; T156-Y159 WeakPolarHBondContact O-CB 3.23Å; T156-Y159 PolarHBondContact O-N 3.48Å; A157-Y159 VanDerWaalsContact C-N 3.34Å; A157-Y159 PolarHBondContact O-N 3.25Å; Y159-N162 PolarHBondContact O-N 2.97Å; Y159-W163 PolarHBondContact O-N 3.01Å
160	V	98.9	Very high	98.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-67.9	-43.6	-179.2	174.9	0	0	0	0	111.8	I87 F138 T156 A157 A158 N162 W163 V164 L194	I87-V160 HydrophobicContact CD1-CG1 4.21Å; F138-V160 HydrophobicContact CE1-CG2 4.15Å; T156-V160 PolarHBondContact O-N 3.49Å; T156-V160 VanDerWaalsContact O-N 3.12Å; A157-V160 PolarHBondContact O-N 2.85Å; A158-V160 PolarHBondContact O-N 3.47Å; V160-N162 VanDerWaalsContact C-N 3.3Å; V160-N162 PolarHBondContact O-N 2.83Å; V160-W163 WeakPolarHBondContact O-CB 3.29Å; V160-W163 PolarHBondContact O-N 2.98Å; V160-V164 PolarHBondContact O-N 3.31Å; V160-L194 HydrophobicContact CB-CD1 4.41Å; V160-L194 HydrophobicContact CG1-CD1 4.27Å
161	V	98.9	Very high	98.6	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-64.9	-36.3	178.6	171.9	0	0	0	0	111	A157 A158 W163 V164 I165 L194 M197 L198 V201 L203	A157-V161 WeakPolarHBondContact O-CB 3.45Å; A157-V161 VanDerWaalsContact O-CG2 3.25Å; A157-V161 WeakPolarHBondContact O-CG2 3.39Å; A157-V161 PolarHBondContact O-N 3.12Å; A158-V161 PolarHBondContact O-N 3.37Å; V161-W163 VanDerWaalsContact C-N 3.29Å; V161-W163 PolarHBondContact O-N 2.8Å; V161-V164 PolarHBondContact O-N 2.85Å; V161-I165 HydrophobicContact CG1-CD1 3.9Å; V161-I165 HydrophobicContact CG1-CG1 4.36Å; V161-I165 WeakPolarHBondContact O-CG1 3.4Å; V161-I165 PolarHBondContact O-N 3.45Å; V161-L194 HydrophobicContact CG2-CD1 3.82Å; V161-M197 HydrophobicContact CB-CG 4.39Å; V161-M197 HydrophobicContact CB-SD 4.2Å; V161-M197 HydrophobicContact CG1-CG 4.41Å; V161-M197 HydrophobicContact CG2-CB 4.26Å; V161-M197 HydrophobicContact CG2-CG 3.97Å; V161-M197 HydrophobicContact CG2-SD 4.05Å; V161-L198 HydrophobicContact CG2-CD2 3.89Å; V161-L198 HydrophobicContact CG2-CG 3.99Å; V161-V201 HydrophobicContact CG1-CG2 3.84Å; V161-L203 HydrophobicContact CG1-CD1 4.31Å
162	N	98.8	Very high	98.7	Very high	27 Å²	27	37.9 Å²	37.9	14%	0.144	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-37.7	176	-160.2	20.6	0	0	0	111.8	E108 F110 A158 Y159 V160 V164 I165 G166	E108-N162 PolarHBondContact OE1-ND2 3.12Å; F110-N162 WeakPolarHBondContact CE1-O 3.42Å; A158-N162 VanDerWaalsContact O-CB 3.23Å; A158-N162 WeakPolarHBondContact O-CB 3.36Å; A158-N162 PolarHBondContact O-N 2.89Å; Y159-N162 PolarHBondContact O-N 2.97Å; V160-N162 VanDerWaalsContact C-N 3.3Å; V160-N162 PolarHBondContact O-N 2.83Å; N162-V164 PolarHBondContact O-N 2.88Å; N162-I165 PolarHBondContact O-N 2.56Å; N162-G166 PolarHBondContact O-N 3.02Å
163	W	98.9	Very high	98.7	Very high	10 Å²	10	34.7 Å²	34.7	4%	0.038	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-46.1	173.1	-170.7	94.7	0	0	0	111.9	V85 I87 H101 W116 M119 A133 Y159 V160 V161 G166 A167 I175	V85-W163 HydrophobicContact CG2-CH2 3.95Å; V85-W163 HydrophobicContact CG2-CZ2 4.17Å; I87-W163 HydrophobicContact CD1-CD2 4.01Å; I87-W163 HydrophobicContact CD1-CE3 4.04Å; I87-W163 HydrophobicContact CD1-CG 4.25Å; I87-W163 HydrophobicContact CG1-CD2 3.94Å; I87-W163 HydrophobicContact CG1-CE3 4.24Å; I87-W163 HydrophobicContact CG1-CG 4.32Å; I87-W163 HydrophobicContact CG1-CZ2 4.3Å; I87-W163 HydrophobicContact CG2-CB 4.45Å; I87-W163 HydrophobicContact CG2-CD2 4.42Å; I87-W163 HydrophobicContact CG2-CG 3.95Å; H101-W163 AromaticContact CE1-CD1 3.87Å; H101-W163 AromaticContact CG-CD1 3.87Å; H101-W163 AromaticContact ND1-CD1 3.47Å; W116-W163 HydrophobicContact CE3-CZ2 4.28Å; W116-W163 AromaticContact CH2-CD1 3.56Å; W116-W163 AromaticContact CH2-CD2 3.53Å; W116-W163 HydrophobicContact CH2-CD2 3.53Å; W116-W163 AromaticContact CH2-CE2 3.08Å; W116-W163 HydrophobicContact CH2-CE3 4.26Å; W116-W163 AromaticContact CH2-CG 3.83Å; W116-W163 HydrophobicContact CH2-CG 3.83Å; W116-W163 HydrophobicContact CH2-CH2 4.2Å; W116-W163 AromaticContact CH2-CZ2 3.48Å; W116-W163 HydrophobicContact CH2-CZ2 3.48Å; W116-W163 VanDerWaalsContact CH2-CZ2 3.48Å; W116-W163 AromaticContact CH2-NE1 3.14Å; W116-W163 AromaticContact CZ2-CD1 3.61Å; W116-W163 HydrophobicContact CZ2-CD2 4.33Å; W116-W163 AromaticContact CZ2-CE2 3.66Å; W116-W163 HydrophobicContact CZ2-CG 4.31Å; W116-W163 HydrophobicContact CZ2-CZ2 4.17Å; W116-W163 AromaticContact CZ2-NE1 3.19Å; W116-W163 HydrophobicContact CZ3-CD2 4.19Å; W116-W163 AromaticContact CZ3-CE2 3.64Å; W116-W163 AromaticContact CZ3-CH2 3.92Å; W116-W163 HydrophobicContact CZ3-CH2 3.92Å; W116-W163 AromaticContact CZ3-CZ2 3.49Å; W116-W163 HydrophobicContact CZ3-CZ2 3.49Å; W116-W163 VanDerWaalsContact CZ3-CZ2 3.49Å; W116-W163 HydrophobicContact CZ3-CZ3 4.44Å; M119-W163 HydrophobicContact CE-CH2 3.72Å; M119-W163 HydrophobicContact CE-CZ2 3.92Å; M119-W163 HydrophobicContact SD-CH2 4.25Å; A133-W163 HydrophobicContact CB-CE3 4.01Å; A133-W163 HydrophobicContact CB-CH2 3.47Å; A133-W163 VanDerWaalsContact CB-CH2 3.47Å; A133-W163 HydrophobicContact CB-CZ2 4.34Å; A133-W163 HydrophobicContact CB-CZ3 3.25Å; Y159-W163 PolarHBondContact O-N 3.01Å; V160-W163 WeakPolarHBondContact O-CB 3.29Å; V160-W163 PolarHBondContact O-N 2.98Å; V161-W163 VanDerWaalsContact C-N 3.29Å; V161-W163 PolarHBondContact O-N 2.8Å; W163-G166 PolarHBondContact O-N 2.92Å; W163-A167 HydrophobicContact CZ3-CB 4.48Å; W163-A167 PolarHBondContact O-N 3.14Å; W163-I175 HydrophobicContact CE3-CG1 4.48Å; W163-I175 HydrophobicContact CH2-CD1 3.84Å; W163-I175 HydrophobicContact CH2-CG1 4.41Å; W163-I175 HydrophobicContact CZ3-CD1 3.6Å; W163-I175 HydrophobicContact CZ3-CG1 3.67Å; W163-I175 HydrophobicContact CZ3-CG2 4.29Å
164	V	98.9	Very high	98.8	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.03	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-42.9	178.5	179.3	0	0	0	0	111.5	V160 V161 N162 G166 A167 K168 I175 I178 L203 V206	V160-V164 PolarHBondContact O-N 3.31Å; V161-V164 PolarHBondContact O-N 2.85Å; N162-V164 PolarHBondContact O-N 2.88Å; V164-G166 VanDerWaalsContact C-N 3.31Å; V164-G166 PolarHBondContact O-N 2.87Å; V164-A167 WeakPolarHBondContact O-CB 3.41Å; V164-A167 PolarHBondContact O-N 2.78Å; V164-K168 PolarHBondContact O-N 3.11Å; V164-I175 HydrophobicContact CG1-CB 4.18Å; V164-I175 HydrophobicContact CG1-CG1 4.39Å; V164-I178 HydrophobicContact CG2-CG2 3.66Å; V164-L203 HydrophobicContact CB-CD1 4.26Å; V164-L203 HydrophobicContact CG1-CD1 3.77Å; V164-L203 HydrophobicContact CG1-CD2 4.42Å; V164-V206 HydrophobicContact CG1-CG2 4.33Å
165	I	98.8	Very high	98.8	Very high	66 Å²	66	34.9 Å²	34.9	34%	0.338	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-43.8	175.1	-68.3	169.9	0	0	0	110.2	V161 N162 K168 K169 V201 L203	V161-I165 HydrophobicContact CG1-CD1 3.9Å; V161-I165 HydrophobicContact CG1-CG1 4.36Å; V161-I165 WeakPolarHBondContact O-CG1 3.4Å; V161-I165 PolarHBondContact O-N 3.45Å; N162-I165 PolarHBondContact O-N 2.56Å; I165-K168 PolarHBondContact O-N 3.23Å; I165-K169 VanDerWaalsContact O-CB 3.26Å; I165-K169 WeakPolarHBondContact O-CB 3.35Å; I165-K169 PolarHBondContact O-N 2.99Å; I165-V201 HydrophobicContact CD1-CG2 4.39Å; I165-L203 HydrophobicContact CG1-CD1 4.02Å
166	G	98.8	Very high	98.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-42.6	177.6	0	0	0	0	0	113.2	N162 W163 V164 K168 K169 Y170	N162-G166 PolarHBondContact O-N 3.02Å; W163-G166 PolarHBondContact O-N 2.92Å; V164-G166 VanDerWaalsContact C-N 3.31Å; V164-G166 PolarHBondContact O-N 2.87Å; G166-K168 VanDerWaalsContact C-N 3.3Å; G166-K168 PolarHBondContact O-N 3.09Å; G166-K169 PolarHBondContact O-N 3.15Å; G166-Y170 WeakPolarHBondContact O-CD2 3.33Å; G166-Y170 PolarHBondContact O-N 3.04Å
167	A	98.9	Very high	98.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-52.3	-49.2	174.9	0	0	0	0	0	111.3	W116 W163 V164 H171 D172 L173 I175	W116-A167 HydrophobicContact CE3-CB 4.5Å; W116-A167 HydrophobicContact CH2-CB 4.22Å; W116-A167 HydrophobicContact CZ3-CB 3.57Å; W163-A167 HydrophobicContact CZ3-CB 4.48Å; W163-A167 PolarHBondContact O-N 3.14Å; V164-A167 WeakPolarHBondContact O-CB 3.41Å; V164-A167 PolarHBondContact O-N 2.78Å; A167-H171 CarbonylContact O-C 3.59Å; A167-H171 WeakPolarHBondContact O-CA 3.34Å; A167-H171 WeakPolarHBondContact O-CB 3.27Å; A167-H171 PolarHBondContact O-N 3.48Å; A167-D172 PolarHBondContact O-N 3.35Å; A167-L173 CarbonylContact C-O 3.19Å; A167-L173 HydrophobicContact CB-CB 4.25Å; A167-L173 PolarHBondContact O-N 3.48Å; A167-L173 VanDerWaalsContact O-N 3.12Å; A167-I175 HydrophobicContact CB-CD1 3.98Å; A167-I175 HydrophobicContact CB-CG1 3.7Å
168	K	98.7	Very high	98.8	Very high	85 Å²	85	38.6 Å²	38.6	37%	0.37	19%	0.19	S	C	.	.	H	α-helix	trans	-70.7	-49.8	178.6	-174.7	54.5	167.5	-173.9	0	112.1	V164 I165 G166 Y170 D172 L173 D174	V164-K168 PolarHBondContact O-N 3.11Å; I165-K168 PolarHBondContact O-N 3.23Å; G166-K168 VanDerWaalsContact C-N 3.3Å; G166-K168 PolarHBondContact O-N 3.09Å; K168-Y170 PolarHBondContact O-N 2.95Å; K168-D172 WeakPolarHBondContact CE-OD1 3.4Å; K168-D172 IonicContact NZ-OD1 3.87Å; K168-D172 PolarHBondContact NZ-OD1 3.32Å; K168-D172 VanDerWaalsContact O-CA 3.28Å; K168-D172 WeakPolarHBondContact O-CA 3.44Å; K168-D172 PolarHBondContact O-N 2.86Å; K168-L173 WeakPolarHBondContact CA-O 3.3Å; K168-L173 PolarHBondContact N-O 2.92Å; K168-D174 VanDerWaalsContact CD-OD1 3.27Å; K168-D174 WeakPolarHBondContact CD-OD1 3.48Å; K168-D174 WeakPolarHBondContact CE-OD1 3.32Å; K168-D174 VanDerWaalsContact NZ-CG 3.31Å; K168-D174 IonicContact NZ-OD1 2.88Å; K168-D174 PolarHBondContact NZ-OD1 3.18Å; K168-D174 IonicContact NZ-OD2 3.82Å; K168-D174 PolarHBondContact NZ-OD2 3.21Å
169	K	98.8	Very high	98.8	Very high	141 Å²	141	36.5 Å²	36.5	61%	0.613	17%	0.172	S	C	*	.	H	α-helix	trans	-64.2	-40.8	-171.9	-178.2	-179.9	175	-164.2	0	113.2	I165 G166	I165-K169 VanDerWaalsContact O-CB 3.26Å; I165-K169 WeakPolarHBondContact O-CB 3.35Å; I165-K169 PolarHBondContact O-N 2.99Å; G166-K169 PolarHBondContact O-N 3.15Å
170	Y	98.8	Very high	98.8	Very high	89 Å²	89	36.4 Å²	36.4	35%	0.349	17%	0.172	S	C	.	.	H	α-helix	trans	-103.9	-19.9	-172	-61.5	-76.8	0	0	0	113.8	F110 F111 G166 K168	F110-Y170 HydrophobicContact CB-CD2 3.68Å; F110-Y170 HydrophobicContact CB-CE2 4.26Å; F110-Y170 HydrophobicContact CB-CG 4.18Å; F110-Y170 AromaticContact CD2-CD2 3.44Å; F110-Y170 HydrophobicContact CD2-CD2 3.44Å; F110-Y170 VanDerWaalsContact CD2-CD2 3.44Å; F110-Y170 AromaticContact CD2-CE2 3.1Å; F110-Y170 HydrophobicContact CD2-CE2 3.1Å; F110-Y170 HydrophobicContact CD2-CG 4.46Å; F110-Y170 AromaticContact CD2-CZ 3.91Å; F110-Y170 HydrophobicContact CE2-CD2 4.2Å; F110-Y170 AromaticContact CE2-CE2 3.51Å; F110-Y170 HydrophobicContact CE2-CE2 3.51Å; F110-Y170 AromaticContact CG-CD2 3.62Å; F110-Y170 HydrophobicContact CG-CD2 3.62Å; F110-Y170 AromaticContact CG-CE2 3.8Å; F110-Y170 HydrophobicContact CG-CE2 3.8Å; F110-Y170 HydrophobicContact CZ-CE2 4.46Å; F111-Y170 AromaticContact CE2-CD1 3.91Å; F111-Y170 HydrophobicContact CE2-CD1 3.91Å; F111-Y170 HydrophobicContact CE2-CG 4.23Å; F111-Y170 AromaticContact CZ-CD1 3.83Å; F111-Y170 HydrophobicContact CZ-CD1 3.83Å; F111-Y170 HydrophobicContact CZ-CG 4.11Å; G166-Y170 WeakPolarHBondContact O-CD2 3.33Å; G166-Y170 PolarHBondContact O-N 3.04Å; K168-Y170 PolarHBondContact O-N 2.95Å
171	H	98.8	Very high	98.8	Very high	18 Å²	18	36.8 Å²	36.8	8%	0.083	17%	0.173	C	C	.	.	H	α-helix	trans	-127.9	-1.1	-175.1	-55	-74.6	0	0	0	114.6	F110 F111 W116 K120 A167 L173	F110-H171 PolarHBondContact O-CE1 3.12Å; F110-H171 PolarHBondContact O-NE2 2.98Å; F111-H171 AromaticContact CD1-CE1 3.79Å; F111-H171 AromaticContact CE1-CE1 3.78Å; W116-H171 AromaticContact CD2-CD2 3.85Å; W116-H171 AromaticContact CD2-NE2 3.73Å; W116-H171 AromaticContact CE3-CD2 3.72Å; W116-H171 AromaticContact CG-NE2 3.58Å; K120-H171 HydrophobicContact CD-CB 4.05Å; K120-H171 HydrophobicContact CG-CB 4.32Å; K120-H171 PolarHBondContact NZ-ND1 3.32Å; A167-H171 CarbonylContact O-C 3.59Å; A167-H171 WeakPolarHBondContact O-CA 3.34Å; A167-H171 WeakPolarHBondContact O-CB 3.27Å; A167-H171 PolarHBondContact O-N 3.48Å; H171-L173 HydrophobicContact CB-CD1 3.69Å; H171-L173 HydrophobicContact CB-CG 3.75Å; H171-L173 PolarHBondContact O-N 3.39Å
172	D	98.8	Very high	98.8	Very high	117 Å²	117	36.5 Å²	36.5	63%	0.626	17%	0.172	S	C	*	.			trans	53.9	37.2	-173.5	-165.5	30.2	0	0	0	113.1	A167 K168	A167-D172 PolarHBondContact O-N 3.35Å; K168-D172 WeakPolarHBondContact CE-OD1 3.4Å; K168-D172 IonicContact NZ-OD1 3.87Å; K168-D172 PolarHBondContact NZ-OD1 3.32Å; K168-D172 VanDerWaalsContact O-CA 3.28Å; K168-D172 WeakPolarHBondContact O-CA 3.44Å; K168-D172 PolarHBondContact O-N 2.86Å
173	L	98.9	Very high	98.8	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	18%	0.179	C	C	.	.			trans	-101.5	119.1	179.4	-63.2	172.8	0	0	0	110.4	W116 M119 K120 K123 L131 A167 K168 H171	W116-L173 HydrophobicContact CE3-CD1 4.47Å; M119-L173 HydrophobicContact CB-CD1 3.59Å; M119-L173 HydrophobicContact CB-CD2 4.2Å; M119-L173 HydrophobicContact CE-CD1 3.79Å; M119-L173 HydrophobicContact SD-CD1 4.23Å; K120-L173 HydrophobicContact CG-CD1 4.24Å; K120-L173 HydrophobicContact CG-CD2 4.15Å; K120-L173 HydrophobicContact CG-CG 4.37Å; K123-L173 HydrophobicContact CB-CD2 4.47Å; K123-L173 HydrophobicContact CG-CD2 3.96Å; L131-L173 HydrophobicContact CD1-CB 4.26Å; L131-L173 HydrophobicContact CD1-CD2 4.03Å; A167-L173 CarbonylContact C-O 3.19Å; A167-L173 HydrophobicContact CB-CB 4.25Å; A167-L173 PolarHBondContact O-N 3.48Å; A167-L173 VanDerWaalsContact O-N 3.12Å; K168-L173 WeakPolarHBondContact CA-O 3.3Å; K168-L173 PolarHBondContact N-O 2.92Å; H171-L173 HydrophobicContact CB-CD1 3.69Å; H171-L173 HydrophobicContact CB-CG 3.75Å; H171-L173 PolarHBondContact O-N 3.39Å
174	D	98.8	Very high	98.7	Very high	89 Å²	89	41.9 Å²	41.9	48%	0.476	19%	0.193	S	C	.	.			trans	-86.4	113	169.5	-60.6	-56	0	0	0	109	K168 Q176	K168-D174 VanDerWaalsContact CD-OD1 3.27Å; K168-D174 WeakPolarHBondContact CD-OD1 3.48Å; K168-D174 WeakPolarHBondContact CE-OD1 3.32Å; K168-D174 VanDerWaalsContact NZ-CG 3.31Å; K168-D174 IonicContact NZ-OD1 2.88Å; K168-D174 PolarHBondContact NZ-OD1 3.18Å; K168-D174 IonicContact NZ-OD2 3.82Å; K168-D174 PolarHBondContact NZ-OD2 3.21Å; D174-Q176 PolarHBondContact O-OE1 3.28Å
175	I	98.9	Very high	98.6	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.041	22%	0.219	C	C	.	.			trans	-85.1	117.6	176.1	-53.9	-62.5	0	0	0	108.3	M119 L131 A133 W163 V164 A167 Y177 I178 V206	M119-I175 HydrophobicContact CE-CD1 4.44Å; M119-I175 HydrophobicContact SD-CD1 3.9Å; L131-I175 HydrophobicContact CB-CD1 4.15Å; L131-I175 HydrophobicContact CD1-CD1 4.33Å; A133-I175 HydrophobicContact CB-CG2 4.21Å; W163-I175 HydrophobicContact CE3-CG1 4.48Å; W163-I175 HydrophobicContact CH2-CD1 3.84Å; W163-I175 HydrophobicContact CH2-CG1 4.41Å; W163-I175 HydrophobicContact CZ3-CD1 3.6Å; W163-I175 HydrophobicContact CZ3-CG1 3.67Å; W163-I175 HydrophobicContact CZ3-CG2 4.29Å; V164-I175 HydrophobicContact CG1-CB 4.18Å; V164-I175 HydrophobicContact CG1-CG1 4.39Å; A167-I175 HydrophobicContact CB-CD1 3.98Å; A167-I175 HydrophobicContact CB-CG1 3.7Å; I175-Y177 WeakPolarHBondContact CG2-O 3.48Å; I175-I178 HydrophobicContact CG2-CG2 4.07Å; I175-V206 WeakPolarHBondContact O-CG2 3.43Å
176	Q	98.9	Very high	98.6	Very high	54 Å²	54	44.7 Å²	44.7	25%	0.252	21%	0.213	S	C	.	.			trans	-85.4	-30.5	-175.5	-67.4	97.7	-37	0	0	113.1	I129 T130 L131 D174 G207	I129-Q176 PolarHBondContact O-NE2 2.69Å; T130-Q176 HydrophobicContact CG2-CB 4.17Å; L131-Q176 PolarHBondContact O-N 2.87Å; L131-Q176 PolarHBondContact O-OE1 2.97Å; D174-Q176 PolarHBondContact O-OE1 3.28Å; Q176-G207 PolarHBondContact O-N 3.35Å
177	Y	98.9	Very high	98.6	Very high	42 Å²	42	46.9 Å²	46.9	17%	0.165	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.5	177.8	-61.9	-92.9	0	0	0	112.4	T130 L131 I132 A133 I175 G207 V209 Q232 V233 W255	T130-Y177 HydrophobicContact CG2-CD2 3.94Å; T130-Y177 HydrophobicContact CG2-CE2 4.02Å; L131-Y177 PolarHBondContact O-N 2.89Å; I132-Y177 WeakPolarHBondContact CA-O 3.36Å; I132-Y177 HydrophobicContact CG1-CD2 4.31Å; A133-Y177 PolarHBondContact N-O 3.34Å; I175-Y177 WeakPolarHBondContact CG2-O 3.48Å; Y177-G207 CarbonylContact C-O 3.55Å; Y177-G207 VanDerWaalsContact CA-O 3.26Å; Y177-G207 WeakPolarHBondContact CA-O 3.27Å; Y177-V209 HydrophobicContact CD1-CG2 3.84Å; Y177-V209 HydrophobicContact CG-CG2 4.11Å; Y177-Q232 HydrophobicContact CE1-CB 4.45Å; Y177-V233 HydrophobicContact CD1-CG2 4.24Å; Y177-V233 HydrophobicContact CE1-CG2 3.74Å; Y177-W255 HydrophobicContact CD1-CH2 4.2Å; Y177-W255 AromaticContact CD2-CH2 3.95Å; Y177-W255 HydrophobicContact CD2-CH2 3.95Å; Y177-W255 HydrophobicContact CD2-CZ3 4.41Å; Y177-W255 AromaticContact CE1-CH2 3.93Å; Y177-W255 HydrophobicContact CE1-CH2 3.93Å; Y177-W255 AromaticContact CE2-CH2 3.69Å; Y177-W255 HydrophobicContact CE2-CH2 3.69Å; Y177-W255 HydrophobicContact CG-CH2 4.21Å; Y177-W255 HydrophobicContact CG-CZ3 4.4Å; Y177-W255 AromaticContact CZ-CH2 3.67Å
178	I	98.9	Very high	98.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.2	167.9	57.5	74.8	0	0	0	110.6	A133 V164 I175 L194 L198 V206 G207 I208 V209	A133-I178 CarbonylContact O-C 3.5Å; A133-I178 VanDerWaalsContact O-CA 3.29Å; A133-I178 WeakPolarHBondContact O-CA 3.5Å; V164-I178 HydrophobicContact CG2-CG2 3.66Å; I175-I178 HydrophobicContact CG2-CG2 4.07Å; I178-L194 HydrophobicContact CD1-CD2 3.35Å; I178-L194 HydrophobicContact CD1-CG 4.01Å; I178-L198 HydrophobicContact CD1-CD1 4.37Å; I178-L198 HydrophobicContact CG1-CD1 4.13Å; I178-V206 HydrophobicContact CG1-CG1 4.02Å; I178-V206 HydrophobicContact CG2-CG1 4Å; I178-G207 PolarHBondContact N-O 2.73Å; I178-I208 HydrophobicContact CD1-CB 4.18Å; I178-I208 HydrophobicContact CD1-CD1 4.14Å; I178-I208 HydrophobicContact CD1-CG1 3.67Å; I178-I208 HydrophobicContact CD1-CG2 4.13Å; I178-I208 WeakPolarHBondContact O-CA 3.47Å; I178-V209 PolarHBondContact O-N 2.91Å
179	G	98.4	Very high	98.6	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	25%	0.248	C	C	.	.			trans	-103.1	-175.3	173.3	0	0	0	0	0	112.8	A133 V209	A133-G179 PolarHBondContact O-N 3.41Å; G179-V209 WeakPolarHBondContact CA-O 3.4Å
180	I	98.7	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-101.8	-74.9	-168.9	-58.4	-50.6	0	0	0	112.8	P135 Y150 F186 Y190 I191 L194 I208 A210	P135-I180 VanDerWaalsContact CG-O 3.29Å; P135-I180 WeakPolarHBondContact CG-O 3.49Å; Y150-I180 WeakPolarHBondContact OH-CG2 3.48Å; I180-F186 HydrophobicContact CG2-CB 4.01Å; I180-Y190 HydrophobicContact CD1-CE1 4.12Å; I180-Y190 HydrophobicContact CG2-CD1 3.97Å; I180-Y190 HydrophobicContact CG2-CE1 3.88Å; I180-I191 HydrophobicContact CD1-CD1 4.39Å; I180-I191 HydrophobicContact CD1-CG1 3.7Å; I180-I191 HydrophobicContact CG1-CD1 4.25Å; I180-I191 HydrophobicContact CG1-CG1 4.06Å; I180-I191 HydrophobicContact CG2-CG1 4.44Å; I180-L194 HydrophobicContact CD1-CD2 4.1Å; I180-I208 HydrophobicContact CD1-CG2 3.7Å; I180-I208 HydrophobicContact CG1-CG2 4.5Å; I180-A210 HydrophobicContact CG1-CB 4.04Å
181	W	98.8	Very high	98.6	Very high	8 Å²	8	40.4 Å²	40.4	3%	0.03	20%	0.203	C	C	.	.			trans	-161.3	112	175.6	-173	16.4	0	0	0	108.3	W136 F138 W148 P149 Y150 E183 R184 I522	W136-W181 PolarHBondContact O-NE1 2.98Å; F138-W181 HydrophobicContact CE2-CB 4.43Å; F138-W181 AromaticContact CE2-CD1 3.71Å; F138-W181 HydrophobicContact CE2-CD2 4.11Å; F138-W181 AromaticContact CE2-CG 3.86Å; F138-W181 HydrophobicContact CE2-CG 3.86Å; F138-W181 AromaticContact CE2-NE1 3.86Å; W148-W181 HydrophobicContact CE3-CH2 4.15Å; W148-W181 AromaticContact CE3-CZ3 3.88Å; W148-W181 HydrophobicContact CE3-CZ3 3.88Å; W148-W181 HydrophobicContact CH2-CZ3 4.35Å; W148-W181 HydrophobicContact CZ3-CH2 4.25Å; W148-W181 AromaticContact CZ3-CZ3 3.72Å; W148-W181 HydrophobicContact CZ3-CZ3 3.72Å; P149-W181 VanDerWaalsContact CD-CH2 3.4Å; P149-W181 HydrophobicContact CG-CD2 3.94Å; P149-W181 HydrophobicContact CG-CE3 3.48Å; P149-W181 VanDerWaalsContact CG-CE3 3.48Å; P149-W181 HydrophobicContact CG-CH2 3.82Å; P149-W181 HydrophobicContact CG-CZ2 4.25Å; P149-W181 HydrophobicContact CG-CZ3 3.42Å; P149-W181 VanDerWaalsContact CG-CZ3 3.42Å; Y150-W181 AromaticContact CE2-CE3 3.72Å; Y150-W181 HydrophobicContact CE2-CE3 3.72Å; Y150-W181 HydrophobicContact CE2-CZ3 4.17Å; Y150-W181 AromaticContact CZ-CE3 3.94Å; Y150-W181 VanDerWaalsContact OH-CB 3.24Å; Y150-W181 WeakPolarHBondContact OH-CB 3.23Å; W181-E183 PolarHBondContact O-N 3.46Å; W181-R184 HydrophobicContact CB-CB 4.26Å; W181-R184 HydrophobicContact CD2-CB 3.41Å; W181-R184 VanDerWaalsContact CD2-CB 3.41Å; W181-R184 HydrophobicContact CD2-CG 3.72Å; W181-R184 HydrophobicContact CE3-CB 3.52Å; W181-R184 HydrophobicContact CE3-CG 4.14Å; W181-R184 HydrophobicContact CG-CB 3.73Å; W181-R184 HydrophobicContact CG-CG 4.1Å; W181-R184 HydrophobicContact CH2-CG 4.37Å; W181-R184 HydrophobicContact CZ2-CB 4.41Å; W181-R184 HydrophobicContact CZ2-CG 3.96Å; W181-R184 HydrophobicContact CZ3-CB 4.08Å; W181-R184 HydrophobicContact CZ3-CG 4.44Å; W181-R184 PolarHBondContact O-N 3.46Å; W181-I522 HydrophobicContact CH2-CG2 4.17Å; W181-I522 HydrophobicContact CZ2-CG2 3.91Å
182	N	98.8	Very high	98.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	124.4	-166.2	-169.8	66.7	0	0	0	113.7	L134 P135 W136 R184 H237 W524	L134-N182 HydrophobicContact CD1-CB 4.31Å; L134-N182 HydrophobicContact CD2-CB 3.87Å; L134-N182 VanDerWaalsContact CD2-OD1 3.27Å; L134-N182 WeakPolarHBondContact CD2-OD1 3.44Å; L134-N182 HydrophobicContact CG-CB 4.07Å; P135-N182 PolarHBondContact O-N 3.03Å; W136-N182 HydrophobicContact CB-CB 4.38Å; W136-N182 HydrophobicContact CD2-CB 3.6Å; W136-N182 VanDerWaalsContact CE2-ND2 3.28Å; W136-N182 HydrophobicContact CE3-CB 4.17Å; W136-N182 HydrophobicContact CG-CB 3.69Å; W136-N182 HydrophobicContact CZ2-CB 4.29Å; W136-N182 PolarHBondContact NE1-ND2 2.82Å; N182-R184 WeakPolarHBondContact O-CG 3.4Å; N182-R184 PolarHBondContact O-N 3.12Å; N182-H237 PolarHBondContact OD1-CE1 3.12Å; N182-W524 PolarHBondContact O-NE1 3.14Å
183	E	98.3	Very high	98.6	Very high	64 Å²	64	38.1 Å²	38.1	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	30.8	177.7	-61.9	-169.3	152.4	0	0	113.8	W181 D212 H237	W181-E183 PolarHBondContact O-N 3.46Å; E183-D212 WeakPolarHBondContact CA-O 3.39Å; E183-D212 PolarHBondContact N-O 3.43Å; E183-H237 VanDerWaalsContact CG-ND1 3.3Å; E183-H237 WeakPolarHBondContact CG-ND1 3.28Å; E183-H237 IonicContact OE1-CG 2.74Å; E183-H237 IonicContact OE1-ND1 3.59Å; E183-H237 PolarHBondContact OE1-ND1 2.7Å; E183-H237 VanDerWaalsContact OE1-ND1 3.15Å
184	R	98.1	Very high	98.6	Very high	86 Å²	86	37.9 Å²	37.9	33%	0.325	19%	0.189	S	C	.	.	S	Bend	trans	-123.3	164.8	176.5	-67.9	-68.3	174	-77.1	-1.5	109.9	W181 N182 F186 W524	W181-R184 HydrophobicContact CB-CB 4.26Å; W181-R184 HydrophobicContact CD2-CB 3.41Å; W181-R184 VanDerWaalsContact CD2-CB 3.41Å; W181-R184 HydrophobicContact CD2-CG 3.72Å; W181-R184 HydrophobicContact CE3-CB 3.52Å; W181-R184 HydrophobicContact CE3-CG 4.14Å; W181-R184 HydrophobicContact CG-CB 3.73Å; W181-R184 HydrophobicContact CG-CG 4.1Å; W181-R184 HydrophobicContact CH2-CG 4.37Å; W181-R184 HydrophobicContact CZ2-CB 4.41Å; W181-R184 HydrophobicContact CZ2-CG 3.96Å; W181-R184 HydrophobicContact CZ3-CB 4.08Å; W181-R184 HydrophobicContact CZ3-CG 4.44Å; W181-R184 PolarHBondContact O-N 3.46Å; N182-R184 WeakPolarHBondContact O-CG 3.4Å; N182-R184 PolarHBondContact O-N 3.12Å; R184-F186 PolarHBondContact O-N 3.31Å; R184-W524 PolarHBondContact NH2-O 2.86Å
185	S	96.9	Very high	98.6	Very high	83 Å²	83	34.3 Å²	34.3	58%	0.58	17%	0.169	S	C	*	.			trans	-60.2	129.8	176.5	-56.1	0	0	0	0	109.8	Y150	Y150-S185 VanDerWaalsContact CE2-O 3.26Å; Y150-S185 WeakPolarHBondContact CE2-O 3.19Å
186	F	97.9	Very high	98.6	Very high	46 Å²	46	39 Å²	39	20%	0.202	19%	0.194	C	C	.	.			trans	-78.1	164.6	170.4	68.8	-90	0	0	0	110.9	I180 R184 I191 A211 V217	I180-F186 HydrophobicContact CG2-CB 4.01Å; R184-F186 PolarHBondContact O-N 3.31Å; F186-I191 HydrophobicContact CB-CD1 4.21Å; F186-I191 HydrophobicContact CD2-CD1 3.85Å; F186-I191 HydrophobicContact CG-CD1 4.35Å; F186-A211 HydrophobicContact CB-CB 4.05Å; F186-A211 HydrophobicContact CD1-CB 3.7Å; F186-A211 HydrophobicContact CG-CB 4.15Å; F186-V217 HydrophobicContact CD1-CB 4.4Å; F186-V217 HydrophobicContact CD1-CG2 4.38Å; F186-V217 HydrophobicContact CE1-CB 3.92Å; F186-V217 HydrophobicContact CE1-CG2 4.06Å; F186-V217 HydrophobicContact CE2-CG2 4.39Å; F186-V217 HydrophobicContact CZ-CB 4.28Å; F186-V217 HydrophobicContact CZ-CG2 4.07Å
187	N	98.4	Very high	98.6	Very high	47 Å²	47	38.6 Å²	38.6	25%	0.251	19%	0.192	S	C	.	.			trans	-126.4	118.8	171.5	-178	-69.9	0	0	0	110.6	Y150 K189 Y190 I191	Y150-N187 HydrophobicContact CD1-CB 3.99Å; Y150-N187 HydrophobicContact CD2-CB 3.52Å; Y150-N187 HydrophobicContact CE1-CB 4.31Å; Y150-N187 HydrophobicContact CE2-CB 3.89Å; Y150-N187 HydrophobicContact CG-CB 3.55Å; N187-K189 VanDerWaalsContact C-N 3.25Å; N187-K189 PolarHBondContact O-N 3.19Å; N187-K189 WeakPolarHBondContact OD1-CA 3.36Å; N187-K189 VanDerWaalsContact OD1-CB 3.26Å; N187-K189 WeakPolarHBondContact OD1-CB 3.16Å; N187-K189 PolarHBondContact OD1-N 3.1Å; N187-Y190 WeakPolarHBondContact O-CB 3.23Å; N187-Y190 PolarHBondContact O-N 3.31Å; N187-Y190 VanDerWaalsContact O-N 3.12Å; N187-Y190 PolarHBondContact OD1-N 3.2Å; N187-I191 WeakPolarHBondContact O-CG1 3.15Å; N187-I191 PolarHBondContact O-N 2.98Å
188	S	98.4	Very high	98.6	Very high	40 Å²	40	36.7 Å²	36.7	28%	0.28	19%	0.185	S	C	.	.	H	α-helix	trans	-61	-32	-177.2	-55	0	0	0	0	113.5	K192 L227	S188-K192 WeakPolarHBondContact O-CG 3.33Å; S188-K192 PolarHBondContact O-N 2.91Å; S188-L227 WeakPolarHBondContact OG-CD2 3.39Å
189	K	98.6	Very high	98.6	Very high	139 Å²	139	39.6 Å²	39.6	60%	0.604	20%	0.201	S	C	*	.	H	α-helix	trans	-69.3	-45	175.5	-178.6	-175.3	175.8	-171.3	0	110.2	P153 N187 I191 K192 V193	P153-K189 HydrophobicContact CG-CD 4.3Å; N187-K189 VanDerWaalsContact C-N 3.25Å; N187-K189 PolarHBondContact O-N 3.19Å; N187-K189 WeakPolarHBondContact OD1-CA 3.36Å; N187-K189 VanDerWaalsContact OD1-CB 3.26Å; N187-K189 WeakPolarHBondContact OD1-CB 3.16Å; N187-K189 PolarHBondContact OD1-N 3.1Å; K189-I191 PolarHBondContact O-N 3.44Å; K189-K192 PolarHBondContact O-N 3.31Å; K189-V193 HydrophobicContact CG-CG2 4.4Å; K189-V193 VanDerWaalsContact O-CG2 3.3Å; K189-V193 WeakPolarHBondContact O-CG2 3.43Å; K189-V193 PolarHBondContact O-N 3.01Å
190	Y	98.8	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57	-48.7	175.6	168.3	-106.6	0	0	0	112.1	Y150 P153 T156 A157 I180 N187 K192 V193 L194	Y150-Y190 HydrophobicContact CD1-CD1 4.08Å; Y150-Y190 HydrophobicContact CD1-CD2 4.07Å; Y150-Y190 AromaticContact CD1-CG 3.65Å; Y150-Y190 HydrophobicContact CD1-CG 3.65Å; Y150-Y190 AromaticContact CE1-CD1 3.44Å; Y150-Y190 HydrophobicContact CE1-CD1 3.44Å; Y150-Y190 VanDerWaalsContact CE1-CD1 3.44Å; Y150-Y190 HydrophobicContact CE1-CD2 4.11Å; Y150-Y190 AromaticContact CE1-CE1 3.96Å; Y150-Y190 HydrophobicContact CE1-CE1 3.96Å; Y150-Y190 AromaticContact CE1-CG 3.52Å; Y150-Y190 HydrophobicContact CE1-CG 3.52Å; P153-Y190 HydrophobicContact CB-CD2 4.18Å; T156-Y190 HydrophobicContact CG2-CD2 4.34Å; T156-Y190 HydrophobicContact CG2-CE2 3.66Å; A157-Y190 HydrophobicContact CB-CE2 4.13Å; I180-Y190 HydrophobicContact CD1-CE1 4.12Å; I180-Y190 HydrophobicContact CG2-CD1 3.97Å; I180-Y190 HydrophobicContact CG2-CE1 3.88Å; N187-Y190 WeakPolarHBondContact O-CB 3.23Å; N187-Y190 PolarHBondContact O-N 3.31Å; N187-Y190 VanDerWaalsContact O-N 3.12Å; N187-Y190 PolarHBondContact OD1-N 3.2Å; Y190-K192 VanDerWaalsContact C-N 3.28Å; Y190-K192 PolarHBondContact O-N 2.79Å; Y190-V193 CarbonylContact O-C 3.44Å; Y190-V193 PolarHBondContact O-N 3.09Å; Y190-L194 HydrophobicContact CE1-CD2 3.98Å; Y190-L194 HydrophobicContact CE2-CB 4.49Å; Y190-L194 WeakPolarHBondContact O-CB 3.25Å; Y190-L194 PolarHBondContact O-N 2.98Å
191	I	98.9	Very high	98.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-43.8	-179.7	-65.4	170.5	0	0	0	111.3	I180 F186 N187 K189 L194 R195 I208 A210 L227 V231	I180-I191 HydrophobicContact CD1-CD1 4.39Å; I180-I191 HydrophobicContact CD1-CG1 3.7Å; I180-I191 HydrophobicContact CG1-CD1 4.25Å; I180-I191 HydrophobicContact CG1-CG1 4.06Å; I180-I191 HydrophobicContact CG2-CG1 4.44Å; F186-I191 HydrophobicContact CB-CD1 4.21Å; F186-I191 HydrophobicContact CD2-CD1 3.85Å; F186-I191 HydrophobicContact CG-CD1 4.35Å; N187-I191 WeakPolarHBondContact O-CG1 3.15Å; N187-I191 PolarHBondContact O-N 2.98Å; K189-I191 PolarHBondContact O-N 3.44Å; I191-L194 PolarHBondContact O-N 3.44Å; I191-R195 PolarHBondContact O-N 2.84Å; I191-I208 HydrophobicContact CG2-CG2 4.45Å; I191-A210 HydrophobicContact CD1-CB 4.41Å; I191-L227 HydrophobicContact CB-CD1 3.72Å; I191-L227 HydrophobicContact CD1-CD1 4.01Å; I191-L227 HydrophobicContact CG1-CD1 4.44Å; I191-L227 HydrophobicContact CG2-CD1 3.68Å; I191-V231 HydrophobicContact CG2-CG2 3.79Å
192	K	98.9	Very high	98.5	Very high	54 Å²	54	49.8 Å²	49.8	24%	0.235	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-39.9	177	-66	173.7	-174.9	-171.8	0	112.4	S188 K189 Y190 N196 D224 L227	S188-K192 WeakPolarHBondContact O-CG 3.33Å; S188-K192 PolarHBondContact O-N 2.91Å; K189-K192 PolarHBondContact O-N 3.31Å; Y190-K192 VanDerWaalsContact C-N 3.28Å; Y190-K192 PolarHBondContact O-N 2.79Å; K192-N196 WeakPolarHBondContact O-CB 3.38Å; K192-N196 VanDerWaalsContact O-CG 3.23Å; K192-N196 PolarHBondContact O-N 2.85Å; K192-N196 PolarHBondContact O-ND2 3.28Å; K192-D224 WeakPolarHBondContact CE-OD2 3.35Å; K192-D224 IonicContact NZ-OD1 2.76Å; K192-D224 PolarHBondContact NZ-OD1 3.23Å; K192-D224 IonicContact NZ-OD2 3.66Å; K192-D224 PolarHBondContact NZ-OD2 3.31Å; K192-L227 HydrophobicContact CG-CD1 4.34Å
193	V	98.9	Very high	98.5	Very high	34 Å²	34	51.8 Å²	51.8	21%	0.206	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-43.2	176	170.2	0	0	0	0	110.6	D154 A157 K189 Y190 N196 M197	D154-V193 HydrophobicContact CB-CG1 4.48Å; A157-V193 HydrophobicContact CB-CG1 3.89Å; K189-V193 HydrophobicContact CG-CG2 4.4Å; K189-V193 VanDerWaalsContact O-CG2 3.3Å; K189-V193 WeakPolarHBondContact O-CG2 3.43Å; K189-V193 PolarHBondContact O-N 3.01Å; Y190-V193 CarbonylContact O-C 3.44Å; Y190-V193 PolarHBondContact O-N 3.09Å; V193-N196 PolarHBondContact O-N 3.04Å; V193-M197 WeakPolarHBondContact O-CB 3.09Å; V193-M197 PolarHBondContact O-N 3.21Å
194	L	98.9	Very high	98.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-47.8	177.1	-179	58.1	0	0	0	111.7	A157 V160 V161 I178 I180 Y190 I191 M197 L198 I208	A157-L194 HydrophobicContact CB-CB 4.4Å; A157-L194 HydrophobicContact CB-CD1 4.23Å; V160-L194 HydrophobicContact CB-CD1 4.41Å; V160-L194 HydrophobicContact CG1-CD1 4.27Å; V161-L194 HydrophobicContact CG2-CD1 3.82Å; I178-L194 HydrophobicContact CD1-CD2 3.35Å; I178-L194 HydrophobicContact CD1-CG 4.01Å; I180-L194 HydrophobicContact CD1-CD2 4.1Å; Y190-L194 HydrophobicContact CE1-CD2 3.98Å; Y190-L194 HydrophobicContact CE2-CB 4.49Å; Y190-L194 WeakPolarHBondContact O-CB 3.25Å; Y190-L194 PolarHBondContact O-N 2.98Å; I191-L194 PolarHBondContact O-N 3.44Å; L194-M197 PolarHBondContact O-N 3Å; L194-L198 HydrophobicContact CD1-CD1 4.44Å; L194-L198 HydrophobicContact CD1-CG 4.48Å; L194-L198 HydrophobicContact CG-CD1 4.32Å; L194-L198 WeakPolarHBondContact O-CG 3.31Å; L194-L198 PolarHBondContact O-N 3.09Å; L194-I208 HydrophobicContact CD2-CD1 4.32Å; L194-I208 HydrophobicContact CG-CD1 4.22Å
195	R	98.9	Very high	98.5	Very high	14 Å²	14	55.6 Å²	55.6	5%	0.053	32%	0.321	C	S	.	.	H	α-helix	trans	-56.5	-52.8	174.2	-180	67.4	-83.9	150.5	-7.6	111.7	I191 M197 L198 D199 L203 V206 I208	I191-R195 PolarHBondContact O-N 2.84Å; R195-M197 VanDerWaalsContact C-N 3.26Å; R195-M197 PolarHBondContact O-N 3.02Å; R195-L198 PolarHBondContact O-N 2.97Å; R195-D199 IonicContact CZ-OD1 2.88Å; R195-D199 IonicContact NE-OD1 3.39Å; R195-D199 PolarHBondContact NE-OD1 3.09Å; R195-D199 IonicContact NE-OD2 3.41Å; R195-D199 PolarHBondContact NE-OD2 2.88Å; R195-D199 IonicContact NH2-OD1 3.05Å; R195-D199 PolarHBondContact NH2-OD1 2.94Å; R195-D199 PolarHBondContact O-N 3.08Å; R195-L203 PolarHBondContact NH2-O 3.36Å; R195-V206 PolarHBondContact NH1-O 2.97Å; R195-I208 HydrophobicContact CB-CD1 3.96Å
196	N	98.8	Very high	98.6	Very high	107 Å²	107	52 Å²	52	57%	0.572	30%	0.296	S	S	*	.	H	α-helix	trans	-59	-38.5	179.3	-72.7	-16.5	0	0	0	112.3	K192 V193 S200	K192-N196 WeakPolarHBondContact O-CB 3.38Å; K192-N196 VanDerWaalsContact O-CG 3.23Å; K192-N196 PolarHBondContact O-N 2.85Å; K192-N196 PolarHBondContact O-ND2 3.28Å; V193-N196 PolarHBondContact O-N 3.04Å; N196-S200 WeakPolarHBondContact O-CB 3.34Å; N196-S200 PolarHBondContact O-N 3.22Å
197	M	98.8	Very high	98.6	Very high	45 Å²	45	50 Å²	50	22%	0.222	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-46.3	-179.6	-171.3	172.6	-70.9	0	0	111.5	A157 A158 V161 V193 L194 R195 D199 S200 V201	A157-M197 HydrophobicContact CB-CE 4.01Å; A157-M197 HydrophobicContact CB-SD 3.91Å; A158-M197 WeakPolarHBondContact CA-SD 3.5Å; A158-M197 HydrophobicContact CB-CE 4.19Å; A158-M197 HydrophobicContact CB-SD 3.96Å; A158-M197 PolarHBondContact N-SD 2.85Å; V161-M197 HydrophobicContact CB-CG 4.39Å; V161-M197 HydrophobicContact CB-SD 4.2Å; V161-M197 HydrophobicContact CG1-CG 4.41Å; V161-M197 HydrophobicContact CG2-CB 4.26Å; V161-M197 HydrophobicContact CG2-CG 3.97Å; V161-M197 HydrophobicContact CG2-SD 4.05Å; V193-M197 WeakPolarHBondContact O-CB 3.09Å; V193-M197 PolarHBondContact O-N 3.21Å; L194-M197 PolarHBondContact O-N 3Å; R195-M197 VanDerWaalsContact C-N 3.26Å; R195-M197 PolarHBondContact O-N 3.02Å; M197-D199 VanDerWaalsContact C-N 3.29Å; M197-D199 PolarHBondContact O-N 2.69Å; M197-S200 PolarHBondContact O-N 3.21Å; M197-S200 VanDerWaalsContact O-N 3.15Å; M197-S200 PolarHBondContact O-OG 3.26Å; M197-V201 WeakPolarHBondContact O-CG2 3.41Å; M197-V201 PolarHBondContact O-N 3.04Å
198	L	98.9	Very high	98.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-53.9	-47.7	173	-74.4	166.2	0	0	0	110.8	V161 I178 L194 R195 S200 V201 G202 L203 V206 I208	V161-L198 HydrophobicContact CG2-CD2 3.89Å; V161-L198 HydrophobicContact CG2-CG 3.99Å; I178-L198 HydrophobicContact CD1-CD1 4.37Å; I178-L198 HydrophobicContact CG1-CD1 4.13Å; L194-L198 HydrophobicContact CD1-CD1 4.44Å; L194-L198 HydrophobicContact CD1-CG 4.48Å; L194-L198 HydrophobicContact CG-CD1 4.32Å; L194-L198 WeakPolarHBondContact O-CG 3.31Å; L194-L198 PolarHBondContact O-N 3.09Å; R195-L198 PolarHBondContact O-N 2.97Å; L198-S200 VanDerWaalsContact C-N 3.34Å; L198-S200 PolarHBondContact O-N 2.97Å; L198-V201 WeakPolarHBondContact O-CG2 3.49Å; L198-V201 PolarHBondContact O-N 3.5Å; L198-G202 PolarHBondContact O-N 2.99Å; L198-L203 HydrophobicContact CB-CB 4.21Å; L198-L203 HydrophobicContact CD2-CB 3.83Å; L198-L203 HydrophobicContact CD2-CD1 3.86Å; L198-L203 WeakPolarHBondContact O-CA 3.47Å; L198-L203 WeakPolarHBondContact O-CB 3.37Å; L198-L203 PolarHBondContact O-N 2.71Å; L198-V206 HydrophobicContact CD1-CB 4.48Å; L198-V206 HydrophobicContact CD1-CG1 4.4Å; L198-V206 HydrophobicContact CD2-CB 4.3Å; L198-V206 HydrophobicContact CD2-CG1 4.36Å; L198-I208 HydrophobicContact CD1-CD1 4.46Å; L198-I208 HydrophobicContact CD1-CG1 4.48Å
199	D	98.8	Very high	98.7	Very high	63 Å²	63	46 Å²	46	34%	0.337	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-40.5	179.1	-62.9	-19.2	0	0	0	112	R195 M197 V201 G202 T204	R195-D199 IonicContact CZ-OD1 2.88Å; R195-D199 IonicContact NE-OD1 3.39Å; R195-D199 PolarHBondContact NE-OD1 3.09Å; R195-D199 IonicContact NE-OD2 3.41Å; R195-D199 PolarHBondContact NE-OD2 2.88Å; R195-D199 IonicContact NH2-OD1 3.05Å; R195-D199 PolarHBondContact NH2-OD1 2.94Å; R195-D199 PolarHBondContact O-N 3.08Å; M197-D199 VanDerWaalsContact C-N 3.29Å; M197-D199 PolarHBondContact O-N 2.69Å; D199-V201 PolarHBondContact O-N 2.83Å; D199-G202 PolarHBondContact O-N 2.91Å; D199-G202 VanDerWaalsContact O-N 3.09Å; D199-T204 HydrophobicContact CB-CG2 4.26Å
200	S	98.5	Very high	98.7	Very high	93 Å²	93	39.4 Å²	39.4	65%	0.65	23%	0.234	S	C	*	.	H	α-helix	trans	-64.8	-26.4	-178.2	76.3	0	0	0	0	113.7	N196 M197 L198	N196-S200 WeakPolarHBondContact O-CB 3.34Å; N196-S200 PolarHBondContact O-N 3.22Å; M197-S200 PolarHBondContact O-N 3.21Å; M197-S200 VanDerWaalsContact O-N 3.15Å; M197-S200 PolarHBondContact O-OG 3.26Å; L198-S200 VanDerWaalsContact C-N 3.34Å; L198-S200 PolarHBondContact O-N 2.97Å
201	V	98.3	Very high	98.6	Very high	72 Å²	72	39.7 Å²	39.7	44%	0.436	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	9.5	177.1	-56.8	0	0	0	0	113.1	V161 I165 M197 L198 D199 L203	V161-V201 HydrophobicContact CG1-CG2 3.84Å; I165-V201 HydrophobicContact CD1-CG2 4.39Å; M197-V201 WeakPolarHBondContact O-CG2 3.41Å; M197-V201 PolarHBondContact O-N 3.04Å; L198-V201 WeakPolarHBondContact O-CG2 3.49Å; L198-V201 PolarHBondContact O-N 3.5Å; D199-V201 PolarHBondContact O-N 2.83Å; V201-L203 HydrophobicContact CG2-CB 4.3Å; V201-L203 HydrophobicContact CG2-CD1 3.78Å; V201-L203 HydrophobicContact CG2-CG 3.93Å
202	G	98.3	Very high	98.6	Very high	57 Å²	57	39.8 Å²	39.8	59%	0.588	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	12.5	176.6	0	0	0	0	0	115.4	L198 D199 T204	L198-G202 PolarHBondContact O-N 2.99Å; D199-G202 PolarHBondContact O-N 2.91Å; D199-G202 VanDerWaalsContact O-N 3.09Å; G202-T204 PolarHBondContact O-N 3.46Å
203	L	98.6	Very high	98.5	Very high	42 Å²	42	37.9 Å²	37.9	22%	0.22	23%	0.234	C	C	.	.			trans	-90.5	45.2	176.1	-65	173.5	0	0	0	111.5	V161 V164 I165 R195 L198 V201 D205 V206	V161-L203 HydrophobicContact CG1-CD1 4.31Å; V164-L203 HydrophobicContact CB-CD1 4.26Å; V164-L203 HydrophobicContact CG1-CD1 3.77Å; V164-L203 HydrophobicContact CG1-CD2 4.42Å; I165-L203 HydrophobicContact CG1-CD1 4.02Å; R195-L203 PolarHBondContact NH2-O 3.36Å; L198-L203 HydrophobicContact CB-CB 4.21Å; L198-L203 HydrophobicContact CD2-CB 3.83Å; L198-L203 HydrophobicContact CD2-CD1 3.86Å; L198-L203 WeakPolarHBondContact O-CA 3.47Å; L198-L203 WeakPolarHBondContact O-CB 3.37Å; L198-L203 PolarHBondContact O-N 2.71Å; V201-L203 HydrophobicContact CG2-CB 4.3Å; V201-L203 HydrophobicContact CG2-CD1 3.78Å; V201-L203 HydrophobicContact CG2-CG 3.93Å; L203-D205 PolarHBondContact O-N 3.47Å; L203-V206 HydrophobicContact CB-CG2 3.9Å; L203-V206 HydrophobicContact CD2-CG2 4.29Å; L203-V206 PolarHBondContact O-N 2.91Å
204	T	98.2	Very high	98.3	Very high	80 Å²	80	41.2 Å²	41.2	49%	0.491	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.5	-174.9	53.1	0	0	0	0	113.6	D199 G202	D199-T204 HydrophobicContact CB-CG2 4.26Å; G202-T204 PolarHBondContact O-N 3.46Å
205	D	98.1	Very high	98.3	Very high	151 Å²	151	42.5 Å²	42.5	81%	0.807	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-12.2	-176.8	-62.4	-26.7	0	0	0	113.5	L203 G207	L203-D205 PolarHBondContact O-N 3.47Å; D205-G207 PolarHBondContact O-N 3.19Å
206	V	98.9	Very high	98.2	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.048	27%	0.272	C	S	.	.			trans	-71	115.1	176.7	-177.8	0	0	0	0	108.8	V164 I175 I178 R195 L198 L203	V164-V206 HydrophobicContact CG1-CG2 4.33Å; I175-V206 WeakPolarHBondContact O-CG2 3.43Å; I178-V206 HydrophobicContact CG1-CG1 4.02Å; I178-V206 HydrophobicContact CG2-CG1 4Å; R195-V206 PolarHBondContact NH1-O 2.97Å; L198-V206 HydrophobicContact CD1-CB 4.48Å; L198-V206 HydrophobicContact CD1-CG1 4.4Å; L198-V206 HydrophobicContact CD2-CB 4.3Å; L198-V206 HydrophobicContact CD2-CG1 4.36Å; L203-V206 HydrophobicContact CB-CG2 3.9Å; L203-V206 HydrophobicContact CD2-CG2 4.29Å; L203-V206 PolarHBondContact O-N 2.91Å
207	G	98.8	Very high	98.1	Very high	4 Å²	4	39.6 Å²	39.6	4%	0.041	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	154.4	178.5	0	0	0	0	0	113.2	Q176 Y177 I178 D205	Q176-G207 PolarHBondContact O-N 3.35Å; Y177-G207 CarbonylContact C-O 3.55Å; Y177-G207 VanDerWaalsContact CA-O 3.26Å; Y177-G207 WeakPolarHBondContact CA-O 3.27Å; I178-G207 PolarHBondContact N-O 2.73Å; D205-G207 PolarHBondContact O-N 3.19Å
208	I	98.9	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.2	171.5	-54.6	-165.9	0	0	0	109.1	I178 I180 I191 L194 R195 L198 S230 V231 Q232 V233	I178-I208 HydrophobicContact CD1-CB 4.18Å; I178-I208 HydrophobicContact CD1-CD1 4.14Å; I178-I208 HydrophobicContact CD1-CG1 3.67Å; I178-I208 HydrophobicContact CD1-CG2 4.13Å; I178-I208 WeakPolarHBondContact O-CA 3.47Å; I180-I208 HydrophobicContact CD1-CG2 3.7Å; I180-I208 HydrophobicContact CG1-CG2 4.5Å; I191-I208 HydrophobicContact CG2-CG2 4.45Å; L194-I208 HydrophobicContact CD2-CD1 4.32Å; L194-I208 HydrophobicContact CG-CD1 4.22Å; R195-I208 HydrophobicContact CB-CD1 3.96Å; L198-I208 HydrophobicContact CD1-CD1 4.46Å; L198-I208 HydrophobicContact CD1-CG1 4.48Å; I208-S230 WeakPolarHBondContact CB-O 3.38Å; I208-S230 WeakPolarHBondContact CD1-O 3.42Å; I208-S230 WeakPolarHBondContact CG1-O 3.49Å; I208-V231 HydrophobicContact CG2-CG2 4.45Å; I208-Q232 PolarHBondContact O-N 3.15Å; I208-V233 PolarHBondContact O-N 2.93Å
209	V	98.9	Very high	98.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.4	167.4	-179.8	0	0	0	0	107.3	Y177 I178 G179 V233 W255	Y177-V209 HydrophobicContact CD1-CG2 3.84Å; Y177-V209 HydrophobicContact CG-CG2 4.11Å; I178-V209 PolarHBondContact O-N 2.91Å; G179-V209 WeakPolarHBondContact CA-O 3.4Å; V209-V233 WeakPolarHBondContact CA-O 3.26Å; V209-V233 HydrophobicContact CB-CB 4.43Å; V209-V233 HydrophobicContact CG1-CB 4.4Å; V209-V233 HydrophobicContact CG1-CG1 4.31Å; V209-V233 HydrophobicContact CG2-CB 3.95Å; V209-V233 HydrophobicContact CG2-CG1 4.37Å; V209-V233 HydrophobicContact CG2-CG2 4.31Å; V209-W255 HydrophobicContact CG2-CE3 4.19Å; V209-W255 HydrophobicContact CG2-CZ3 3.78Å
210	A	98.7	Very high	98.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.9	176.8	0	0	0	0	0	111.6	I180 I191 V217 V231 V233 I234 G235	I180-A210 HydrophobicContact CG1-CB 4.04Å; I191-A210 HydrophobicContact CD1-CB 4.41Å; A210-V217 HydrophobicContact CB-CG2 4.3Å; A210-V231 HydrophobicContact CB-CG1 3.96Å; A210-V231 HydrophobicContact CB-CG2 4.01Å; A210-V233 PolarHBondContact N-O 2.91Å; A210-I234 CarbonylContact O-C 3.56Å; A210-I234 WeakPolarHBondContact O-CA 3.4Å; A210-G235 PolarHBondContact O-N 3.31Å
211	A	97.4	Very high	98.1	Very high	6 Å²	6	38 Å²	38	5%	0.05	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-105	3.8	-1.3	0	0	0	0	0	113.2	F186 V217 G235	F186-A211 HydrophobicContact CB-CB 4.05Å; F186-A211 HydrophobicContact CD1-CB 3.7Å; F186-A211 HydrophobicContact CG-CB 4.15Å; A211-V217 HydrophobicContact CB-CB 4.2Å; A211-V217 HydrophobicContact CB-CG2 4.41Å; A211-G235 PolarHBondContact N-O 3.32Å
212	D	98.1	Very high	98.1	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.3	55.4	-167.4	-75.4	-81.4	0	0	0	109.9	K84 L134 E183 G235 H237 S257	K84-D212 IonicContact NZ-OD1 2.68Å; K84-D212 PolarHBondContact NZ-OD1 2.95Å; L134-D212 HydrophobicContact CD1-CB 4.38Å; L134-D212 HydrophobicContact CD2-CB 3.73Å; E183-D212 WeakPolarHBondContact CA-O 3.39Å; E183-D212 PolarHBondContact N-O 3.43Å; D212-G235 PolarHBondContact N-O 2.87Å; D212-G235 VanDerWaalsContact N-O 3.11Å; D212-H237 WeakPolarHBondContact CA-NE2 3.25Å; D212-H237 WeakPolarHBondContact CB-NE2 3.38Å; D212-H237 IonicContact OD1-NE2 2.61Å; D212-H237 PolarHBondContact OD1-NE2 3.04Å; D212-S257 WeakPolarHBondContact OD1-CB 3.33Å; D212-S257 PolarHBondContact OD1-OG 2.88Å
213	G	96.4	Very high	98.1	Very high	15 Å²	15	40 Å²	40	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	-133.9	-175.7	0	0	0	0	0	110.4	A236 H237	G213-A236 CarbonylContact O-C 3.49Å; G213-A236 VanDerWaalsContact O-CA 3.25Å; G213-A236 WeakPolarHBondContact O-CA 3.4Å; G213-H237 PolarHBondContact O-N 3.19Å
214	D	96.3	Very high	98.1	Very high	103 Å²	103	40 Å²	40	55%	0.551	23%	0.233	S	C	*	.			trans	-87.3	179.4	174.9	73.8	10.2	0	0	0	112.9	S216	D214-S216 PolarHBondContact O-N 3.07Å; D214-S216 WeakPolarHBondContact OD1-CA 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.36Å; D214-S216 PolarHBondContact OD1-N 3.48Å; D214-S216 PolarHBondContact OD1-OG 2.92Å
215	W	98.3	Very high	98.1	Very high	28 Å²	28	40.1 Å²	40.1	11%	0.106	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-1	178.6	-61.8	110.7	0	0	0	114.7	V217 A218 I234 A236 P239 T242 V244 A247 L254 M285	W215-V217 PolarHBondContact O-N 3.2Å; W215-A218 WeakPolarHBondContact O-CB 3.3Å; W215-A218 PolarHBondContact O-N 2.96Å; W215-A218 VanDerWaalsContact O-N 3.14Å; W215-I234 HydrophobicContact CE3-CG2 3.86Å; W215-I234 HydrophobicContact CZ3-CG2 3.9Å; W215-A236 HydrophobicContact CD2-CB 3.62Å; W215-A236 HydrophobicContact CE3-CB 3.71Å; W215-A236 HydrophobicContact CG-CB 4.35Å; W215-A236 HydrophobicContact CH2-CB 3.63Å; W215-A236 HydrophobicContact CZ2-CB 3.56Å; W215-A236 HydrophobicContact CZ3-CB 3.71Å; W215-P239 HydrophobicContact CZ2-CB 3.77Å; W215-T242 WeakPolarHBondContact CZ2-O 3.27Å; W215-T242 PolarHBondContact NE1-O 3.05Å; W215-V244 HydrophobicContact CB-CB 4.41Å; W215-V244 HydrophobicContact CB-CG1 3.92Å; W215-V244 HydrophobicContact CB-CG2 3.61Å; W215-V244 HydrophobicContact CG-CG1 4.06Å; W215-V244 HydrophobicContact CG-CG2 4.17Å; W215-A247 HydrophobicContact CE3-CB 3.97Å; W215-A247 HydrophobicContact CZ3-CB 4.38Å; W215-L254 HydrophobicContact CH2-CB 4.28Å; W215-L254 HydrophobicContact CZ3-CB 4.26Å; W215-L254 HydrophobicContact CZ3-CD2 4.22Å; W215-M285 HydrophobicContact CH2-CG 3.98Å; W215-M285 HydrophobicContact CH2-SD 3.79Å; W215-M285 HydrophobicContact CZ2-CG 4.41Å; W215-M285 HydrophobicContact CZ2-SD 3.76Å
216	S	95.9	Very high	98.1	Very high	59 Å²	59	39.4 Å²	39.4	41%	0.413	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.3	-170.4	68.9	0	0	0	0	113.8	D214 A218 K219	D214-S216 PolarHBondContact O-N 3.07Å; D214-S216 WeakPolarHBondContact OD1-CA 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.36Å; D214-S216 PolarHBondContact OD1-N 3.48Å; D214-S216 PolarHBondContact OD1-OG 2.92Å; S216-A218 PolarHBondContact O-N 3.35Å; S216-A218 VanDerWaalsContact O-N 3.15Å; S216-K219 PolarHBondContact O-N 3.34Å
217	V	98.1	Very high	98.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.5	-32.2	175.8	68.8	0	0	0	0	111.9	F186 A210 A211 W215 K219 S220 L221 I234	F186-V217 HydrophobicContact CD1-CB 4.4Å; F186-V217 HydrophobicContact CD1-CG2 4.38Å; F186-V217 HydrophobicContact CE1-CB 3.92Å; F186-V217 HydrophobicContact CE1-CG2 4.06Å; F186-V217 HydrophobicContact CE2-CG2 4.39Å; F186-V217 HydrophobicContact CZ-CB 4.28Å; F186-V217 HydrophobicContact CZ-CG2 4.07Å; A210-V217 HydrophobicContact CB-CG2 4.3Å; A211-V217 HydrophobicContact CB-CB 4.2Å; A211-V217 HydrophobicContact CB-CG2 4.41Å; W215-V217 PolarHBondContact O-N 3.2Å; V217-K219 VanDerWaalsContact C-N 3.27Å; V217-K219 PolarHBondContact O-N 3.31Å; V217-S220 WeakPolarHBondContact O-CA 3.45Å; V217-S220 WeakPolarHBondContact O-CB 3.39Å; V217-S220 PolarHBondContact O-N 3.39Å; V217-L221 HydrophobicContact CG2-CD2 4.35Å; V217-L221 HydrophobicContact CG2-CG 4.29Å; V217-L221 WeakPolarHBondContact O-CG 3.34Å; V217-L221 PolarHBondContact O-N 2.9Å; V217-I234 HydrophobicContact CG1-CG2 3.8Å
218	A	98.5	Very high	98.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-55.7	-39.4	-178.6	0	0	0	0	0	113	W215 S216 S220 L221 I222 I234 E246 A247 T250	W215-A218 WeakPolarHBondContact O-CB 3.3Å; W215-A218 PolarHBondContact O-N 2.96Å; W215-A218 VanDerWaalsContact O-N 3.14Å; S216-A218 PolarHBondContact O-N 3.35Å; S216-A218 VanDerWaalsContact O-N 3.15Å; A218-S220 VanDerWaalsContact C-N 3.31Å; A218-S220 PolarHBondContact O-N 3.22Å; A218-L221 PolarHBondContact O-N 2.6Å; A218-I222 WeakPolarHBondContact O-CG1 3.37Å; A218-I222 PolarHBondContact O-N 2.87Å; A218-I234 HydrophobicContact CB-CD1 4.14Å; A218-E246 HydrophobicContact CB-CB 3.97Å; A218-A247 HydrophobicContact CB-CB 4.03Å; A218-T250 HydrophobicContact CB-CG2 4.3Å
219	K	98.1	Very high	98	Very high	129 Å²	129	45.5 Å²	45.5	56%	0.561	26%	0.258	S	S	*	.	H	α-helix	trans	-63.6	-38.5	176.5	-73.5	177.8	179.4	176.6	0	112	S216 V217 I222 A223 E246	S216-K219 PolarHBondContact O-N 3.34Å; V217-K219 VanDerWaalsContact C-N 3.27Å; V217-K219 PolarHBondContact O-N 3.31Å; K219-I222 PolarHBondContact O-N 2.92Å; K219-A223 WeakPolarHBondContact O-CB 3.46Å; K219-A223 PolarHBondContact O-N 2.98Å; K219-A223 VanDerWaalsContact O-N 3.11Å; K219-E246 WeakPolarHBondContact CE-OE1 3.21Å; K219-E246 HydrophobicContact CG-CB 4.27Å; K219-E246 HydrophobicContact CG-CG 3.88Å; K219-E246 IonicContact NZ-OE1 3.81Å
220	S	98.3	Very high	98	Very high	39 Å²	39	45.9 Å²	45.9	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-69	-36.9	178.2	-58.5	0	0	0	0	111.6	V217 A218 A223 D224	V217-S220 WeakPolarHBondContact O-CA 3.45Å; V217-S220 WeakPolarHBondContact O-CB 3.39Å; V217-S220 PolarHBondContact O-N 3.39Å; A218-S220 VanDerWaalsContact C-N 3.31Å; A218-S220 PolarHBondContact O-N 3.22Å; S220-A223 PolarHBondContact O-N 3.42Å; S220-D224 WeakPolarHBondContact O-CB 3.35Å; S220-D224 PolarHBondContact O-N 3.06Å; S220-D224 VanDerWaalsContact O-N 3.09Å
221	L	98.6	Very high	98	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-41.6	175.2	-55.9	-178.7	0	0	0	111.8	V217 A218 A223 D224 L227 N228 V231 I234 T250	V217-L221 HydrophobicContact CG2-CD2 4.35Å; V217-L221 HydrophobicContact CG2-CG 4.29Å; V217-L221 WeakPolarHBondContact O-CG 3.34Å; V217-L221 PolarHBondContact O-N 2.9Å; A218-L221 PolarHBondContact O-N 2.6Å; L221-A223 VanDerWaalsContact C-N 3.29Å; L221-A223 PolarHBondContact O-N 3.4Å; L221-D224 PolarHBondContact O-N 3.28Å; L221-L227 HydrophobicContact CD2-CB 4.49Å; L221-L227 HydrophobicContact CD2-CD2 4Å; L221-L227 HydrophobicContact CD2-CG 3.75Å; L221-N228 HydrophobicContact CB-CB 4.16Å; L221-N228 WeakPolarHBondContact O-CB 3.45Å; L221-V231 HydrophobicContact CD1-CG1 4.27Å; L221-V231 HydrophobicContact CD2-CB 4.14Å; L221-V231 HydrophobicContact CD2-CG2 3.94Å; L221-I234 HydrophobicContact CD1-CD1 3.79Å; L221-I234 HydrophobicContact CD1-CG1 3.78Å; L221-T250 HydrophobicContact CB-CG2 4.23Å; L221-T250 HydrophobicContact CD1-CG2 4.47Å
222	I	98.5	Very high	98.1	Very high	86 Å²	86	48.7 Å²	48.7	44%	0.441	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-40.2	175.7	-66.6	168.5	0	0	0	111.1	A218 K219 E246 T249 T250	A218-I222 WeakPolarHBondContact O-CG1 3.37Å; A218-I222 PolarHBondContact O-N 2.87Å; K219-I222 PolarHBondContact O-N 2.92Å; I222-E246 HydrophobicContact CD1-CB 3.83Å; I222-E246 HydrophobicContact CD1-CG 4.25Å; I222-T249 HydrophobicContact CD1-CG2 4.2Å; I222-T250 HydrophobicContact CG1-CG2 4.07Å
223	A	98.3	Very high	98.1	Very high	84 Å²	84	48.6 Å²	48.6	69%	0.694	27%	0.272	S	S	*	.	H	α-helix	trans	-75	-23.8	-176.5	0	0	0	0	0	113.8	K219 S220 L221	K219-A223 WeakPolarHBondContact O-CB 3.46Å; K219-A223 PolarHBondContact O-N 2.98Å; K219-A223 VanDerWaalsContact O-N 3.11Å; S220-A223 PolarHBondContact O-N 3.42Å; L221-A223 VanDerWaalsContact C-N 3.29Å; L221-A223 PolarHBondContact O-N 3.4Å
224	D	98.5	Very high	98.3	Very high	41 Å²	41	47.9 Å²	47.9	22%	0.219	27%	0.265	C	S	.	.			trans	-133.7	96.8	-171	-173	-25.6	0	0	0	111.2	K192 S220 L221 H226 L227 N228	K192-D224 WeakPolarHBondContact CE-OD2 3.35Å; K192-D224 IonicContact NZ-OD1 2.76Å; K192-D224 PolarHBondContact NZ-OD1 3.23Å; K192-D224 IonicContact NZ-OD2 3.66Å; K192-D224 PolarHBondContact NZ-OD2 3.31Å; S220-D224 WeakPolarHBondContact O-CB 3.35Å; S220-D224 PolarHBondContact O-N 3.06Å; S220-D224 VanDerWaalsContact O-N 3.09Å; L221-D224 PolarHBondContact O-N 3.28Å; D224-H226 VanDerWaalsContact C-N 3.26Å; D224-H226 PolarHBondContact O-N 2.69Å; D224-H226 PolarHBondContact OD1-N 3.28Å; D224-L227 HydrophobicContact CB-CB 3.82Å; D224-L227 WeakPolarHBondContact O-CB 3.3Å; D224-L227 PolarHBondContact O-N 3.09Å; D224-L227 VanDerWaalsContact O-N 3.08Å; D224-L227 PolarHBondContact OD1-N 3.26Å; D224-N228 PolarHBondContact O-N 3.2Å
225	P	97.9	Very high	98.4	Very high	84 Å²	84	43 Å²	43	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-56.7	-36.4	-178.9	-27.7	35.5	0	0	0	113.8	N228 D229	P225-N228 WeakPolarHBondContact O-CB 3.15Å; P225-N228 PolarHBondContact O-N 2.82Å; P225-D229 PolarHBondContact O-N 2.85Å
226	H	98.1	Very high	98.4	Very high	135 Å²	135	41.7 Å²	41.7	63%	0.625	23%	0.234	S	C	*	.	H	α-helix	trans	-69.1	-36.4	178.5	-68	-63.4	0	0	0	112.2	D224 S230	D224-H226 VanDerWaalsContact C-N 3.26Å; D224-H226 PolarHBondContact O-N 2.69Å; D224-H226 PolarHBondContact OD1-N 3.28Å; H226-S230 PolarHBondContact O-N 3Å; H226-S230 PolarHBondContact O-OG 3.21Å
227	L	98.7	Very high	98.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-43.5	172.4	-174.9	65.6	0	0	0	110.5	S188 I191 K192 L221 D224 D229 S230 V231	S188-L227 WeakPolarHBondContact OG-CD2 3.39Å; I191-L227 HydrophobicContact CB-CD1 3.72Å; I191-L227 HydrophobicContact CD1-CD1 4.01Å; I191-L227 HydrophobicContact CG1-CD1 4.44Å; I191-L227 HydrophobicContact CG2-CD1 3.68Å; K192-L227 HydrophobicContact CG-CD1 4.34Å; L221-L227 HydrophobicContact CD2-CB 4.49Å; L221-L227 HydrophobicContact CD2-CD2 4Å; L221-L227 HydrophobicContact CD2-CG 3.75Å; D224-L227 HydrophobicContact CB-CB 3.82Å; D224-L227 WeakPolarHBondContact O-CB 3.3Å; D224-L227 PolarHBondContact O-N 3.09Å; D224-L227 VanDerWaalsContact O-N 3.08Å; D224-L227 PolarHBondContact OD1-N 3.26Å; L227-D229 VanDerWaalsContact C-N 3.32Å; L227-D229 PolarHBondContact O-N 3.38Å; L227-S230 WeakPolarHBondContact O-CB 3.28Å; L227-S230 PolarHBondContact O-N 2.73Å; L227-S230 VanDerWaalsContact O-N 3.13Å; L227-V231 PolarHBondContact O-N 3.11Å
228	N	98.6	Very high	98.6	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-58.5	-41.4	175.7	-179.7	75.2	0	0	0	112.6	L221 D224 P225 S230 V231 K252	L221-N228 HydrophobicContact CB-CB 4.16Å; L221-N228 WeakPolarHBondContact O-CB 3.45Å; D224-N228 PolarHBondContact O-N 3.2Å; P225-N228 WeakPolarHBondContact O-CB 3.15Å; P225-N228 PolarHBondContact O-N 2.82Å; N228-S230 PolarHBondContact O-N 2.69Å; N228-V231 PolarHBondContact O-N 3.09Å; N228-V231 VanDerWaalsContact O-O 3.1Å; N228-K252 VanDerWaalsContact O-CE 3.31Å; N228-K252 WeakPolarHBondContact O-CE 3.48Å; N228-K252 PolarHBondContact O-NZ 2.91Å; N228-K252 WeakPolarHBondContact OD1-CE 3.45Å
229	D	98.4	Very high	98.6	Very high	107 Å²	107	41.7 Å²	41.7	57%	0.572	23%	0.228	S	C	*	.	H	α-helix	trans	-68.6	-27	178	-66.9	-15.2	0	0	0	112.3	P225 L227 V231	P225-D229 PolarHBondContact O-N 2.85Å; L227-D229 VanDerWaalsContact C-N 3.32Å; L227-D229 PolarHBondContact O-N 3.38Å; D229-V231 VanDerWaalsContact C-N 3.32Å
230	S	98.7	Very high	98.6	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-74.9	-19.8	177.2	-56.7	0	0	0	0	113.5	I208 H226 L227 N228 Q232	I208-S230 WeakPolarHBondContact CB-O 3.38Å; I208-S230 WeakPolarHBondContact CD1-O 3.42Å; I208-S230 WeakPolarHBondContact CG1-O 3.49Å; H226-S230 PolarHBondContact O-N 3Å; H226-S230 PolarHBondContact O-OG 3.21Å; L227-S230 WeakPolarHBondContact O-CB 3.28Å; L227-S230 PolarHBondContact O-N 2.73Å; L227-S230 VanDerWaalsContact O-N 3.13Å; N228-S230 PolarHBondContact O-N 2.69Å; S230-Q232 PolarHBondContact O-OE1 2.54Å
231	V	98.8	Very high	98.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.204	C	C	.	.			trans	-110.3	127.6	-173.3	176.2	0	0	0	0	111.2	I191 I208 A210 L221 L227 N228 D229 V233 K252	I191-V231 HydrophobicContact CG2-CG2 3.79Å; I208-V231 HydrophobicContact CG2-CG2 4.45Å; A210-V231 HydrophobicContact CB-CG1 3.96Å; A210-V231 HydrophobicContact CB-CG2 4.01Å; L221-V231 HydrophobicContact CD1-CG1 4.27Å; L221-V231 HydrophobicContact CD2-CB 4.14Å; L221-V231 HydrophobicContact CD2-CG2 3.94Å; L227-V231 PolarHBondContact O-N 3.11Å; N228-V231 PolarHBondContact O-N 3.09Å; N228-V231 VanDerWaalsContact O-O 3.1Å; D229-V231 VanDerWaalsContact C-N 3.32Å; V231-V233 VanDerWaalsContact CG1-O 3.26Å; V231-V233 WeakPolarHBondContact CG1-O 3.24Å; V231-K252 VanDerWaalsContact O-CE 3.25Å; V231-K252 WeakPolarHBondContact O-CE 3.46Å; V231-K252 PolarHBondContact O-NZ 3.36Å
232	Q	98.8	Very high	98.6	Very high	65 Å²	65	39 Å²	39	30%	0.304	23%	0.226	S	C	.	.	S	Bend	trans	-93.2	-35.6	-178.7	-77.5	71.1	12.6	0	0	111.4	Y177 I208 S230	Y177-Q232 HydrophobicContact CE1-CB 4.45Å; I208-Q232 PolarHBondContact O-N 3.15Å; S230-Q232 PolarHBondContact O-OE1 2.54Å
233	V	98.9	Very high	98.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.4	-172.7	-178.1	0	0	0	0	110.3	Y177 I208 V209 A210 V231 K253 W255	Y177-V233 HydrophobicContact CD1-CG2 4.24Å; Y177-V233 HydrophobicContact CE1-CG2 3.74Å; I208-V233 PolarHBondContact O-N 2.93Å; V209-V233 WeakPolarHBondContact CA-O 3.26Å; V209-V233 HydrophobicContact CB-CB 4.43Å; V209-V233 HydrophobicContact CG1-CB 4.4Å; V209-V233 HydrophobicContact CG1-CG1 4.31Å; V209-V233 HydrophobicContact CG2-CB 3.95Å; V209-V233 HydrophobicContact CG2-CG1 4.37Å; V209-V233 HydrophobicContact CG2-CG2 4.31Å; A210-V233 PolarHBondContact N-O 2.91Å; V231-V233 VanDerWaalsContact CG1-O 3.26Å; V231-V233 WeakPolarHBondContact CG1-O 3.24Å; V233-K253 HydrophobicContact CB-CB 4.49Å; V233-K253 HydrophobicContact CG1-CB 4.21Å; V233-K253 HydrophobicContact CG2-CB 4.12Å; V233-K253 HydrophobicContact CG2-CD 4.26Å; V233-W255 HydrophobicContact CB-CD2 4.48Å; V233-W255 HydrophobicContact CG1-CB 4.17Å; V233-W255 HydrophobicContact CG1-CD2 3.37Å; V233-W255 HydrophobicContact CG1-CE3 3.65Å; V233-W255 HydrophobicContact CG1-CG 3.6Å; V233-W255 HydrophobicContact CG1-CZ2 4.3Å; V233-W255 HydrophobicContact CG1-CZ3 4.2Å; V233-W255 HydrophobicContact CG2-CD2 4.42Å; V233-W255 HydrophobicContact CG2-CE3 4.49Å; V233-W255 HydrophobicContact CG2-CH2 3.93Å; V233-W255 HydrophobicContact CG2-CZ2 3.85Å; V233-W255 HydrophobicContact CG2-CZ3 4.24Å
234	I	98.9	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	110.5	164.5	-57.7	175.9	0	0	0	108.6	A210 W215 V217 A218 L221 A247 T250 K252 K253 L254 W255	A210-I234 CarbonylContact O-C 3.56Å; A210-I234 WeakPolarHBondContact O-CA 3.4Å; W215-I234 HydrophobicContact CE3-CG2 3.86Å; W215-I234 HydrophobicContact CZ3-CG2 3.9Å; V217-I234 HydrophobicContact CG1-CG2 3.8Å; A218-I234 HydrophobicContact CB-CD1 4.14Å; L221-I234 HydrophobicContact CD1-CD1 3.79Å; L221-I234 HydrophobicContact CD1-CG1 3.78Å; I234-A247 HydrophobicContact CD1-CB 4.33Å; I234-T250 HydrophobicContact CD1-CG2 3.94Å; I234-T250 WeakPolarHBondContact CD1-OG1 3.4Å; I234-K252 HydrophobicContact CD1-CB 4.24Å; I234-K252 HydrophobicContact CD1-CG 4.49Å; I234-K252 HydrophobicContact CG1-CB 4.09Å; I234-K252 HydrophobicContact CG1-CG 4.44Å; I234-K253 PolarHBondContact N-O 2.87Å; I234-L254 HydrophobicContact CB-CD2 3.89Å; I234-L254 HydrophobicContact CD1-CD2 4Å; I234-L254 HydrophobicContact CG1-CD2 4.33Å; I234-L254 WeakPolarHBondContact O-CA 3.02Å; I234-W255 PolarHBondContact O-N 2.83Å
235	G	98.8	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.1	174.8	0	0	0	0	0	110.8	A210 A211 D212 S257	A210-G235 PolarHBondContact O-N 3.31Å; A211-G235 PolarHBondContact N-O 3.32Å; D212-G235 PolarHBondContact N-O 2.87Å; D212-G235 VanDerWaalsContact N-O 3.11Å; G235-S257 VanDerWaalsContact C-OG 3.29Å; G235-S257 VanDerWaalsContact CA-OG 3.3Å; G235-S257 WeakPolarHBondContact CA-OG 3.47Å
236	A	98.9	Very high	98.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.8	176.3	0	0	0	0	0	111.4	G213 W215 W255 S256 S257	G213-A236 CarbonylContact O-C 3.49Å; G213-A236 VanDerWaalsContact O-CA 3.25Å; G213-A236 WeakPolarHBondContact O-CA 3.4Å; W215-A236 HydrophobicContact CD2-CB 3.62Å; W215-A236 HydrophobicContact CE3-CB 3.71Å; W215-A236 HydrophobicContact CG-CB 4.35Å; W215-A236 HydrophobicContact CH2-CB 3.63Å; W215-A236 HydrophobicContact CZ2-CB 3.56Å; W215-A236 HydrophobicContact CZ3-CB 3.71Å; A236-W255 PolarHBondContact N-O 3.43Å; A236-S256 CarbonylContact O-C 3.48Å; A236-S256 WeakPolarHBondContact O-CA 3.28Å; A236-S257 PolarHBondContact N-OG 3.12Å; A236-S257 PolarHBondContact O-N 3.35Å
237	H	98.8	Very high	98.7	Very high	18 Å²	18	29.2 Å²	29.2	8%	0.083	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139	-175.9	-72.4	-151.2	0	0	0	111.3	N182 E183 D212 G213 P239 S257 E258	N182-H237 PolarHBondContact OD1-CE1 3.12Å; E183-H237 VanDerWaalsContact CG-ND1 3.3Å; E183-H237 WeakPolarHBondContact CG-ND1 3.28Å; E183-H237 IonicContact OE1-CG 2.74Å; E183-H237 IonicContact OE1-ND1 3.59Å; E183-H237 PolarHBondContact OE1-ND1 2.7Å; E183-H237 VanDerWaalsContact OE1-ND1 3.15Å; D212-H237 WeakPolarHBondContact CA-NE2 3.25Å; D212-H237 WeakPolarHBondContact CB-NE2 3.38Å; D212-H237 IonicContact OD1-NE2 2.61Å; D212-H237 PolarHBondContact OD1-NE2 3.04Å; G213-H237 PolarHBondContact O-N 3.19Å; H237-P239 VanDerWaalsContact C-CD 3.48Å; H237-P239 VanDerWaalsContact C-N 3.33Å; H237-S257 PolarHBondContact CD2-OG 3.04Å; H237-S257 PolarHBondContact NE2-OG 3.15Å; H237-E258 WeakPolarHBondContact CA-O 3.46Å; H237-E258 HydrophobicContact CB-CB 4.33Å; H237-E258 WeakPolarHBondContact CE1-CB 3.13Å; H237-E258 IonicContact CE1-OE2 3.77Å; H237-E258 PolarHBondContact CE1-OE2 2.9Å; H237-E258 IonicContact ND1-OE1 3.15Å; H237-E258 IonicContact ND1-OE2 3.79Å; H237-E258 WeakPolarHBondContact NE2-CB 3.19Å
238	Y	98.8	Very high	98.6	Very high	28 Å²	28	32 Å²	32	11%	0.11	18%	0.183	C	C	.	.	S	Bend	trans	41.9	51.7	177.6	-50.2	-75.9	0	0	0	113.9	G240 E258 R380	Y238-G240 PolarHBondContact O-N 3.07Å; Y238-E258 HydrophobicContact CE2-CG 4.39Å; Y238-E258 WeakPolarHBondContact CE2-OE1 3.1Å; Y238-E258 PolarHBondContact N-O 2.56Å; Y238-E258 PolarHBondContact OH-OE1 3.1Å; Y238-R380 HydrophobicContact CD1-CB 3.93Å; Y238-R380 HydrophobicContact CG-CB 3.98Å
239	P	98.6	Very high	98.6	Very high	13 Å²	13	34.8 Å²	34.8	8%	0.084	20%	0.202	C	C	.	.			trans	-71.4	-2.6	-166.9	30.6	-37.7	0	0	0	114.5	W215 H237 T241 T242 S256 M285	W215-P239 HydrophobicContact CZ2-CB 3.77Å; H237-P239 VanDerWaalsContact C-CD 3.48Å; H237-P239 VanDerWaalsContact C-N 3.33Å; P239-T241 PolarHBondContact O-N 3.46Å; P239-T242 WeakPolarHBondContact CB-O 3.44Å; P239-T242 PolarHBondContact O-N 3.33Å; P239-T242 VanDerWaalsContact O-N 3.09Å; P239-T242 PolarHBondContact O-OG1 3.2Å; P239-T242 VanDerWaalsContact O-OG1 3.11Å; P239-S256 WeakPolarHBondContact CD-OG 3.27Å; P239-S256 WeakPolarHBondContact CG-OG 3.44Å; P239-M285 HydrophobicContact CB-CE 4.05Å; P239-M285 HydrophobicContact CB-SD 4.08Å; P239-M285 HydrophobicContact CG-CE 3.6Å; P239-M285 HydrophobicContact CG-SD 3.59Å; P239-M285 VanDerWaalsContact CG-SD 3.59Å
240	G	98.4	Very high	98.6	Very high	26 Å²	26	30.6 Å²	30.6	27%	0.268	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	35.1	-175.7	0	0	0	0	0	112.3	Y238 T242 P381	Y238-G240 PolarHBondContact O-N 3.07Å; G240-T242 PolarHBondContact O-N 3.37Å; G240-T242 VanDerWaalsContact O-N 3.15Å; G240-P381 VanDerWaalsContact CA-CG 3.48Å
241	T	98.8	Very high	98.5	Very high	10 Å²	10	39 Å²	39	6%	0.061	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	-5	-174.3	78.5	0	0	0	0	116.4	P239 I275 Q278 N279 N282 G283	P239-T241 PolarHBondContact O-N 3.46Å; T241-I275 HydrophobicContact CG2-CB 4.49Å; T241-I275 HydrophobicContact CG2-CG2 4.12Å; T241-Q278 HydrophobicContact CG2-CB 3.73Å; T241-N279 WeakPolarHBondContact CA-OD1 3.38Å; T241-N282 CarbonylContact O-C 3.51Å; T241-N282 WeakPolarHBondContact O-CB 3.21Å; T241-N282 PolarHBondContact OG1-ND2 3.07Å; T241-G283 VanDerWaalsContact O-CA 3.29Å; T241-G283 WeakPolarHBondContact O-CA 3.45Å; T241-G283 PolarHBondContact O-N 3.39Å
242	T	98.3	Very high	98.5	Very high	78 Å²	78	40.6 Å²	40.6	48%	0.479	22%	0.222	S	C	.	.			trans	-105.7	157.9	-173	63.1	0	0	0	0	113.2	W215 P239 G240	W215-T242 WeakPolarHBondContact CZ2-O 3.27Å; W215-T242 PolarHBondContact NE1-O 3.05Å; P239-T242 WeakPolarHBondContact CB-O 3.44Å; P239-T242 PolarHBondContact O-N 3.33Å; P239-T242 VanDerWaalsContact O-N 3.09Å; P239-T242 PolarHBondContact O-OG1 3.2Å; P239-T242 VanDerWaalsContact O-OG1 3.11Å; G240-T242 PolarHBondContact O-N 3.37Å; G240-T242 VanDerWaalsContact O-N 3.15Å
243	T	98.6	Very high	98.5	Very high	28 Å²	28	41.1 Å²	41.1	17%	0.172	22%	0.223	C	C	.	.			trans	-125.4	-179.4	169.2	-162.5	0	0	0	0	111	L248 L254 G283	T243-L248 HydrophobicContact CG2-CD1 4.16Å; T243-L248 HydrophobicContact CG2-CD2 3.91Å; T243-L248 HydrophobicContact CG2-CG 3.86Å; T243-L254 HydrophobicContact CG2-CD1 4.21Å; T243-G283 WeakPolarHBondContact CB-O 3.41Å; T243-G283 VanDerWaalsContact CG2-O 3.23Å; T243-G283 WeakPolarHBondContact CG2-O 3.42Å
244	V	98.5	Very high	98.5	Very high	43 Å²	43	41.1 Å²	41.1	26%	0.261	22%	0.223	S	C	.	.			trans	-112.6	151.2	179.4	-56	0	0	0	0	111.9	W215 E246 A247 L248	W215-V244 HydrophobicContact CB-CB 4.41Å; W215-V244 HydrophobicContact CB-CG1 3.92Å; W215-V244 HydrophobicContact CB-CG2 3.61Å; W215-V244 HydrophobicContact CG-CG1 4.06Å; W215-V244 HydrophobicContact CG-CG2 4.17Å; V244-E246 HydrophobicContact CG2-CB 4.32Å; V244-E246 PolarHBondContact O-N 3.22Å; V244-A247 HydrophobicContact CG2-CB 3.86Å; V244-A247 WeakPolarHBondContact O-CB 3.49Å; V244-A247 PolarHBondContact O-N 3.48Å; V244-L248 PolarHBondContact O-N 2.9Å
245	P	98.4	Very high	98.5	Very high	94 Å²	94	41.3 Å²	41.3	61%	0.61	22%	0.224	S	C	*	.	H	α-helix	trans	-55.1	-34.4	179.9	-27.5	36	0	0	0	114.4	L248 T249	P245-L248 PolarHBondContact O-N 3.06Å; P245-T249 PolarHBondContact O-N 3.4Å; P245-T249 PolarHBondContact O-OG1 3.25Å
246	E	98.4	Very high	98.5	Very high	59 Å²	59	41.3 Å²	41.3	28%	0.276	22%	0.224	S	C	.	.	H	α-helix	trans	-63.8	-42.8	177.5	-63.3	91.1	155.7	0	0	111.2	A218 K219 I222 V244 L248 T249 T250	A218-E246 HydrophobicContact CB-CB 3.97Å; K219-E246 WeakPolarHBondContact CE-OE1 3.21Å; K219-E246 HydrophobicContact CG-CB 4.27Å; K219-E246 HydrophobicContact CG-CG 3.88Å; K219-E246 IonicContact NZ-OE1 3.81Å; I222-E246 HydrophobicContact CD1-CB 3.83Å; I222-E246 HydrophobicContact CD1-CG 4.25Å; V244-E246 HydrophobicContact CG2-CB 4.32Å; V244-E246 PolarHBondContact O-N 3.22Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 3.43Å; E246-T249 WeakPolarHBondContact O-CB 3.29Å; E246-T249 PolarHBondContact O-N 3.49Å; E246-T249 VanDerWaalsContact O-N 3.15Å; E246-T250 WeakPolarHBondContact O-CG2 3.17Å; E246-T250 PolarHBondContact O-N 3.14Å
247	A	98.6	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-42	177.7	0	0	0	0	0	111.2	W215 A218 I234 V244 T249 T250 L254	W215-A247 HydrophobicContact CE3-CB 3.97Å; W215-A247 HydrophobicContact CZ3-CB 4.38Å; A218-A247 HydrophobicContact CB-CB 4.03Å; I234-A247 HydrophobicContact CD1-CB 4.33Å; V244-A247 HydrophobicContact CG2-CB 3.86Å; V244-A247 WeakPolarHBondContact O-CB 3.49Å; V244-A247 PolarHBondContact O-N 3.48Å; A247-T249 VanDerWaalsContact C-N 3.33Å; A247-T249 PolarHBondContact O-N 2.88Å; A247-T250 PolarHBondContact O-N 3.45Å; A247-T250 PolarHBondContact O-OG1 3.36Å; A247-L254 HydrophobicContact CB-CD1 4.31Å; A247-L254 HydrophobicContact CB-CD2 3.95Å
248	L	98.2	Very high	98.5	Very high	57 Å²	57	41 Å²	41	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-39.3	174.6	-64.9	174.7	0	0	0	112.4	T243 V244 P245 E246 T250 K251 L254 Q284	T243-L248 HydrophobicContact CG2-CD1 4.16Å; T243-L248 HydrophobicContact CG2-CD2 3.91Å; T243-L248 HydrophobicContact CG2-CG 3.86Å; V244-L248 PolarHBondContact O-N 2.9Å; P245-L248 PolarHBondContact O-N 3.06Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 3.43Å; L248-T250 VanDerWaalsContact C-N 3.26Å; L248-T250 PolarHBondContact O-N 3.08Å; L248-K251 PolarHBondContact O-N 3.38Å; L248-K251 VanDerWaalsContact O-N 3.12Å; L248-L254 HydrophobicContact CD2-CD1 3.95Å; L248-Q284 HydrophobicContact CD2-CB 4.25Å; L248-Q284 HydrophobicContact CD2-CG 4.19Å
249	T	97.9	Very high	98.5	Very high	94 Å²	94	39.8 Å²	39.8	58%	0.577	22%	0.218	S	C	*	.	H	α-helix	trans	-63.2	-31.7	179.8	-58.9	0	0	0	0	112.2	I222 P245 E246 A247 K251	I222-T249 HydrophobicContact CD1-CG2 4.2Å; P245-T249 PolarHBondContact O-N 3.4Å; P245-T249 PolarHBondContact O-OG1 3.25Å; E246-T249 WeakPolarHBondContact O-CB 3.29Å; E246-T249 PolarHBondContact O-N 3.49Å; E246-T249 VanDerWaalsContact O-N 3.15Å; A247-T249 VanDerWaalsContact C-N 3.33Å; A247-T249 PolarHBondContact O-N 2.88Å; T249-K251 PolarHBondContact O-N 3.33Å
250	T	98.1	Very high	98.5	Very high	19 Å²	19	39.2 Å²	39.2	12%	0.117	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.4	176.7	72.7	0	0	0	0	113.7	A218 L221 I222 I234 E246 A247 L248 K252	A218-T250 HydrophobicContact CB-CG2 4.3Å; L221-T250 HydrophobicContact CB-CG2 4.23Å; L221-T250 HydrophobicContact CD1-CG2 4.47Å; I222-T250 HydrophobicContact CG1-CG2 4.07Å; I234-T250 HydrophobicContact CD1-CG2 3.94Å; I234-T250 WeakPolarHBondContact CD1-OG1 3.4Å; E246-T250 WeakPolarHBondContact O-CG2 3.17Å; E246-T250 PolarHBondContact O-N 3.14Å; A247-T250 PolarHBondContact O-N 3.45Å; A247-T250 PolarHBondContact O-OG1 3.36Å; L248-T250 VanDerWaalsContact C-N 3.26Å; L248-T250 PolarHBondContact O-N 3.08Å; T250-K252 PolarHBondContact O-N 3.1Å; T250-K252 WeakPolarHBondContact OG1-CB 3.33Å; T250-K252 WeakPolarHBondContact OG1-CG 3.4Å; T250-K252 PolarHBondContact OG1-N 3.31Å
251	K	97.6	Very high	98.5	Very high	184 Å²	184	38 Å²	38	80%	0.8	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	13.9	-172	-53.4	179.3	-177.1	177.8	0	114.5	L248 T249	L248-K251 PolarHBondContact O-N 3.38Å; L248-K251 VanDerWaalsContact O-N 3.12Å; T249-K251 PolarHBondContact O-N 3.33Å
252	K	98.6	Very high	98.5	Very high	36 Å²	36	38.2 Å²	38.2	16%	0.157	20%	0.203	C	C	.	.			trans	-69.9	162.5	173.1	-61.8	-68.2	-180	173.9	0	110.4	R38 N228 V231 I234 T250	R38-K252 PolarHBondContact NH1-O 2.96Å; N228-K252 VanDerWaalsContact O-CE 3.31Å; N228-K252 WeakPolarHBondContact O-CE 3.48Å; N228-K252 PolarHBondContact O-NZ 2.91Å; N228-K252 WeakPolarHBondContact OD1-CE 3.45Å; V231-K252 VanDerWaalsContact O-CE 3.25Å; V231-K252 WeakPolarHBondContact O-CE 3.46Å; V231-K252 PolarHBondContact O-NZ 3.36Å; I234-K252 HydrophobicContact CD1-CB 4.24Å; I234-K252 HydrophobicContact CD1-CG 4.49Å; I234-K252 HydrophobicContact CG1-CB 4.09Å; I234-K252 HydrophobicContact CG1-CG 4.44Å; T250-K252 PolarHBondContact O-N 3.1Å; T250-K252 WeakPolarHBondContact OG1-CB 3.33Å; T250-K252 WeakPolarHBondContact OG1-CG 3.4Å; T250-K252 PolarHBondContact OG1-N 3.31Å
253	K	98.8	Very high	98.5	Very high	76 Å²	76	38 Å²	38	33%	0.33	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.7	162.6	-67.4	176.3	174.1	-164.6	0	108.4	D41 V233 I234 W255	D41-K253 VanDerWaalsContact OD1-CE 3.24Å; D41-K253 WeakPolarHBondContact OD1-CE 3.16Å; D41-K253 IonicContact OD1-NZ 3.29Å; D41-K253 PolarHBondContact OD1-NZ 2.89Å; D41-K253 WeakPolarHBondContact OD2-CD 3.45Å; V233-K253 HydrophobicContact CB-CB 4.49Å; V233-K253 HydrophobicContact CG1-CB 4.21Å; V233-K253 HydrophobicContact CG2-CB 4.12Å; V233-K253 HydrophobicContact CG2-CD 4.26Å; I234-K253 PolarHBondContact N-O 2.87Å; K253-W255 HydrophobicContact CD-CZ2 4.48Å
254	L	98.9	Very high	98.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.8	179.5	-53.8	-177.1	0	0	0	107	W215 I234 T243 A247 L248 M285 T286	W215-L254 HydrophobicContact CH2-CB 4.28Å; W215-L254 HydrophobicContact CZ3-CB 4.26Å; W215-L254 HydrophobicContact CZ3-CD2 4.22Å; I234-L254 HydrophobicContact CB-CD2 3.89Å; I234-L254 HydrophobicContact CD1-CD2 4Å; I234-L254 HydrophobicContact CG1-CD2 4.33Å; I234-L254 WeakPolarHBondContact O-CA 3.02Å; T243-L254 HydrophobicContact CG2-CD1 4.21Å; A247-L254 HydrophobicContact CB-CD1 4.31Å; A247-L254 HydrophobicContact CB-CD2 3.95Å; L248-L254 HydrophobicContact CD2-CD1 3.95Å; L254-M285 HydrophobicContact CB-CG 4.12Å; L254-M285 CarbonylContact O-C 3.37Å; L254-M285 WeakPolarHBondContact O-CA 3.29Å; L254-T286 PolarHBondContact O-N 2.85Å
255	W	98.9	Very high	98.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.6	178.6	-64.2	-11.6	0	0	0	109.9	D41 I132 Y177 V209 V233 I234 A236 K253 S257 A287	D41-W255 HydrophobicContact CB-CZ2 3.81Å; D41-W255 PolarHBondContact OD2-NE1 3.29Å; I132-W255 HydrophobicContact CD1-CE3 4.4Å; I132-W255 HydrophobicContact CD1-CH2 4.45Å; I132-W255 HydrophobicContact CD1-CZ3 3.7Å; Y177-W255 HydrophobicContact CD1-CH2 4.2Å; Y177-W255 AromaticContact CD2-CH2 3.95Å; Y177-W255 HydrophobicContact CD2-CH2 3.95Å; Y177-W255 HydrophobicContact CD2-CZ3 4.41Å; Y177-W255 AromaticContact CE1-CH2 3.93Å; Y177-W255 HydrophobicContact CE1-CH2 3.93Å; Y177-W255 AromaticContact CE2-CH2 3.69Å; Y177-W255 HydrophobicContact CE2-CH2 3.69Å; Y177-W255 HydrophobicContact CG-CH2 4.21Å; Y177-W255 HydrophobicContact CG-CZ3 4.4Å; Y177-W255 AromaticContact CZ-CH2 3.67Å; V209-W255 HydrophobicContact CG2-CE3 4.19Å; V209-W255 HydrophobicContact CG2-CZ3 3.78Å; V233-W255 HydrophobicContact CB-CD2 4.48Å; V233-W255 HydrophobicContact CG1-CB 4.17Å; V233-W255 HydrophobicContact CG1-CD2 3.37Å; V233-W255 HydrophobicContact CG1-CE3 3.65Å; V233-W255 HydrophobicContact CG1-CG 3.6Å; V233-W255 HydrophobicContact CG1-CZ2 4.3Å; V233-W255 HydrophobicContact CG1-CZ3 4.2Å; V233-W255 HydrophobicContact CG2-CD2 4.42Å; V233-W255 HydrophobicContact CG2-CE3 4.49Å; V233-W255 HydrophobicContact CG2-CH2 3.93Å; V233-W255 HydrophobicContact CG2-CZ2 3.85Å; V233-W255 HydrophobicContact CG2-CZ3 4.24Å; I234-W255 PolarHBondContact O-N 2.83Å; A236-W255 PolarHBondContact N-O 3.43Å; K253-W255 HydrophobicContact CD-CZ2 4.48Å; W255-S257 VanDerWaalsContact C-N 3.27Å; W255-S257 PolarHBondContact O-N 2.91Å; W255-A287 WeakPolarHBondContact CA-O 3.5Å; W255-A287 HydrophobicContact CB-CB 4.27Å; W255-A287 HydrophobicContact CD2-CB 3.91Å; W255-A287 HydrophobicContact CG-CB 3.68Å
256	S	98.9	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	88.8	154	-167.8	0	0	0	0	106.2	A236 P239 E258 D259 N279 A287 T288 I289	A236-S256 CarbonylContact O-C 3.48Å; A236-S256 WeakPolarHBondContact O-CA 3.28Å; P239-S256 WeakPolarHBondContact CD-OG 3.27Å; P239-S256 WeakPolarHBondContact CG-OG 3.44Å; S256-E258 PolarHBondContact O-N 3.18Å; S256-D259 WeakPolarHBondContact OG-CB 3.31Å; S256-D259 VanDerWaalsContact OG-CG 3.31Å; S256-D259 PolarHBondContact OG-OD2 3.41Å; S256-N279 WeakPolarHBondContact CB-ND2 3.47Å; S256-A287 PolarHBondContact N-O 3.26Å; S256-T288 CarbonylContact O-C 3.43Å; S256-T288 WeakPolarHBondContact O-CA 3.21Å; S256-I289 PolarHBondContact O-N 2.9Å
257	S	98.9	Very high	98.2	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-6.9	-171.3	61.5	0	0	0	0	113.3	K84 D212 G235 A236 H237 W255	K84-S257 PolarHBondContact NZ-O 3.3Å; D212-S257 WeakPolarHBondContact OD1-CB 3.33Å; D212-S257 PolarHBondContact OD1-OG 2.88Å; G235-S257 VanDerWaalsContact C-OG 3.29Å; G235-S257 VanDerWaalsContact CA-OG 3.3Å; G235-S257 WeakPolarHBondContact CA-OG 3.47Å; A236-S257 PolarHBondContact N-OG 3.12Å; A236-S257 PolarHBondContact O-N 3.35Å; H237-S257 PolarHBondContact CD2-OG 3.04Å; H237-S257 PolarHBondContact NE2-OG 3.15Å; W255-S257 VanDerWaalsContact C-N 3.27Å; W255-S257 PolarHBondContact O-N 2.91Å
258	E	98.9	Very high	98.1	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	125.9	164.9	-161.5	177.9	111.5	0	0	109.4	L46 H237 Y238 S256 I289 W291	L46-E258 HydrophobicContact CD1-CG 4.08Å; H237-E258 WeakPolarHBondContact CA-O 3.46Å; H237-E258 HydrophobicContact CB-CB 4.33Å; H237-E258 WeakPolarHBondContact CE1-CB 3.13Å; H237-E258 IonicContact CE1-OE2 3.77Å; H237-E258 PolarHBondContact CE1-OE2 2.9Å; H237-E258 IonicContact ND1-OE1 3.15Å; H237-E258 IonicContact ND1-OE2 3.79Å; H237-E258 WeakPolarHBondContact NE2-CB 3.19Å; Y238-E258 HydrophobicContact CE2-CG 4.39Å; Y238-E258 WeakPolarHBondContact CE2-OE1 3.1Å; Y238-E258 PolarHBondContact N-O 2.56Å; Y238-E258 PolarHBondContact OH-OE1 3.1Å; S256-E258 PolarHBondContact O-N 3.18Å; E258-I289 CarbonylContact C-O 3.53Å; E258-I289 WeakPolarHBondContact CA-O 3.41Å; E258-W291 HydrophobicContact CG-CB 3.59Å; E258-W291 HydrophobicContact CG-CG 4.41Å
259	D	98.8	Very high	98.1	Very high	4 Å²	4	31 Å²	31	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-172	179.9	-139.9	-34	0	0	0	109.9	S256 S261 W272 I275 N279 T288 I289 W291	S256-D259 WeakPolarHBondContact OG-CB 3.31Å; S256-D259 VanDerWaalsContact OG-CG 3.31Å; S256-D259 PolarHBondContact OG-OD2 3.41Å; D259-S261 PolarHBondContact O-N 2.74Å; D259-W272 HydrophobicContact CB-CZ3 4.5Å; D259-I275 HydrophobicContact CB-CD1 4.12Å; D259-I275 WeakPolarHBondContact OD1-CD1 3.25Å; D259-N279 PolarHBondContact OD2-ND2 3.05Å; D259-N279 VanDerWaalsContact OD2-ND2 3.07Å; D259-T288 HydrophobicContact CB-CG2 3.94Å; D259-I289 PolarHBondContact N-O 3.01Å; D259-W291 PolarHBondContact O-N 2.93Å
260	Y	98.8	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.2	-93.6	-179.3	-177.1	-120.3	0	0	0	113.5	T262 N264 G268 W272 D306 L308 P324	Y260-T262 WeakPolarHBondContact CE1-O 3.33Å; Y260-T262 PolarHBondContact O-N 2.9Å; Y260-T262 PolarHBondContact O-OG1 2.88Å; Y260-T262 PolarHBondContact OH-O 3.26Å; Y260-N264 WeakPolarHBondContact OH-CA 3.31Å; Y260-N264 VanDerWaalsContact OH-CB 3.3Å; Y260-N264 WeakPolarHBondContact OH-CB 3.41Å; Y260-G268 WeakPolarHBondContact CE2-O 3.42Å; Y260-W272 HydrophobicContact CD2-CB 4.1Å; Y260-W272 HydrophobicContact CD2-CE3 4.23Å; Y260-W272 HydrophobicContact CE2-CB 4.23Å; Y260-W272 HydrophobicContact CG-CE3 4.2Å; Y260-D306 WeakPolarHBondContact CE1-O 3.38Å; Y260-L308 HydrophobicContact CE1-CD2 4.47Å; Y260-P324 HydrophobicContact CE2-CG 4.49Å; Y260-P324 VanDerWaalsContact OH-CG 3.27Å; Y260-P324 WeakPolarHBondContact OH-CG 3.26Å
261	S	98.3	Very high	98.2	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	12%	0.121	C	C	.	.			trans	45.6	36.9	-178.6	-175.4	0	0	0	0	113.7	D259 W291 I379	D259-S261 PolarHBondContact O-N 2.74Å; S261-W291 WeakPolarHBondContact CA-O 3.46Å; S261-W291 PolarHBondContact N-O 2.82Å; S261-W291 WeakPolarHBondContact OG-CZ3 3.38Å; S261-I379 WeakPolarHBondContact O-CG2 3.27Å
262	T	98.6	Very high	98.3	Very high	14 Å²	14	16.9 Å²	16.9	9%	0.086	8%	0.083	C	C	.	.	S	Bend	trans	-125.7	142.8	-172.6	-58.4	0	0	0	0	108.8	Y260 N264 C378 I379	Y260-T262 WeakPolarHBondContact CE1-O 3.33Å; Y260-T262 PolarHBondContact O-N 2.9Å; Y260-T262 PolarHBondContact O-OG1 2.88Å; Y260-T262 PolarHBondContact OH-O 3.26Å; T262-N264 PolarHBondContact O-N 3.41Å; T262-C378 WeakPolarHBondContact OG1-CA 3.39Å; T262-I379 PolarHBondContact OG1-N 3.19Å
263	F	98.4	Very high	98.3	Very high	73 Å²	73	15.3 Å²	15.3	32%	0.32	8%	0.077	S	C	.	.			trans	-48.5	132.6	179.8	-164.3	-91.1	0	0	0	111.3	D265 G268 G304 R305 D306	F263-D265 HydrophobicContact CD1-CB 3.89Å; F263-D265 HydrophobicContact CE1-CB 4.24Å; F263-D265 PolarHBondContact O-N 2.83Å; F263-G268 VanDerWaalsContact O-CA 3.27Å; F263-G268 WeakPolarHBondContact O-CA 3.42Å; F263-G304 VanDerWaalsContact CD2-O 3.23Å; F263-G304 WeakPolarHBondContact CD2-O 3.42Å; F263-G304 WeakPolarHBondContact CE2-O 3.37Å; F263-R305 HydrophobicContact CD2-CB 3.92Å; F263-R305 HydrophobicContact CE2-CB 3.57Å; F263-R305 HydrophobicContact CE2-CG 4.21Å; F263-R305 HydrophobicContact CZ-CB 4.02Å; F263-R305 HydrophobicContact CZ-CG 4.42Å; F263-D306 WeakPolarHBondContact CA-OD1 3.41Å; F263-D306 PolarHBondContact N-OD1 3Å
264	N	97.9	Very high	98.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-81.9	35.6	-167.4	64.7	12.2	0	0	0	116.1	Y260 T262 R305 G307 T310 E322 P324	Y260-N264 WeakPolarHBondContact OH-CA 3.31Å; Y260-N264 VanDerWaalsContact OH-CB 3.3Å; Y260-N264 WeakPolarHBondContact OH-CB 3.41Å; T262-N264 PolarHBondContact O-N 3.41Å; N264-R305 WeakPolarHBondContact CB-O 3.49Å; N264-R305 PolarHBondContact N-O 2.88Å; N264-R305 PolarHBondContact ND2-O 3.47Å; N264-R305 PolarHBondContact OD1-NE 3.44Å; N264-R305 PolarHBondContact OD1-NH2 3.18Å; N264-R305 PolarHBondContact OD1-O 2.93Å; N264-G307 WeakPolarHBondContact CB-O 3.43Å; N264-G307 PolarHBondContact ND2-O 3.37Å; N264-T310 PolarHBondContact ND2-OG1 3.4Å; N264-T310 PolarHBondContact OD1-OG1 2.97Å; N264-E322 HydrophobicContact CB-CB 4.24Å; N264-E322 HydrophobicContact CB-CG 4.23Å; N264-E322 WeakPolarHBondContact O-CB 3.48Å; N264-P324 HydrophobicContact CB-CG 4.19Å
265	D	95.8	Very high	98.3	Very high	65 Å²	65	12.4 Å²	12.4	35%	0.348	6%	0.064	S	C	.	.	S	Bend	trans	-81.4	-168.6	168.8	67.6	10.7	0	0	0	111.7	F263 V267 G268 G269 S323	F263-D265 HydrophobicContact CD1-CB 3.89Å; F263-D265 HydrophobicContact CE1-CB 4.24Å; F263-D265 PolarHBondContact O-N 2.83Å; D265-V267 VanDerWaalsContact C-N 3.27Å; D265-V267 PolarHBondContact O-N 3.31Å; D265-V267 WeakPolarHBondContact OD1-CA 3.24Å; D265-V267 WeakPolarHBondContact OD1-CB 3.23Å; D265-V267 PolarHBondContact OD1-N 3.01Å; D265-G268 PolarHBondContact O-N 3.01Å; D265-G268 PolarHBondContact OD1-N 2.86Å; D265-G269 PolarHBondContact O-N 3.11Å; D265-S323 PolarHBondContact O-OG 2.67Å; D265-S323 VanDerWaalsContact O-OG 3.14Å
266	D	95.4	Very high	98.3	Very high	30 Å²	30	12.8 Å²	12.8	16%	0.16	7%	0.066	C	C	.	.	H	α-helix	trans	-65.6	-27.1	178.2	-73.1	-18.9	0	0	0	112.7	G269 G270 F414 L416 H421	D266-G269 PolarHBondContact O-N 2.71Å; D266-G270 PolarHBondContact O-N 3.28Å; D266-F414 HydrophobicContact CB-CD1 3.77Å; D266-F414 HydrophobicContact CB-CE1 4.23Å; D266-L416 HydrophobicContact CB-CD2 3.77Å; D266-H421 IonicContact OD1-CE1 2.82Å; D266-H421 IonicContact OD1-CG 3.54Å; D266-H421 IonicContact OD1-ND1 3.79Å; D266-H421 PolarHBondContact OD1-ND1 3.15Å; D266-H421 VanDerWaalsContact OD1-ND1 3.12Å; D266-H421 IonicContact OD2-CE1 2.74Å; D266-H421 IonicContact OD2-CG 3.1Å; D266-H421 IonicContact OD2-ND1 3.7Å; D266-H421 PolarHBondContact OD2-ND1 3.27Å
267	V	97	Very high	98.3	Very high	39 Å²	39	12.9 Å²	12.9	24%	0.236	7%	0.067	C	C	.	.	H	α-helix	trans	-72.4	-42.2	173.8	-180	0	0	0	0	110.2	D265 G269 G270 C271	D265-V267 VanDerWaalsContact C-N 3.27Å; D265-V267 PolarHBondContact O-N 3.31Å; D265-V267 WeakPolarHBondContact OD1-CA 3.24Å; D265-V267 WeakPolarHBondContact OD1-CB 3.23Å; D265-V267 PolarHBondContact OD1-N 3.01Å; V267-G269 VanDerWaalsContact C-N 3.32Å; V267-G269 PolarHBondContact O-N 3.04Å; V267-G270 PolarHBondContact O-N 3.07Å; V267-C271 PolarHBondContact O-N 3.21Å
268	G	98.3	Very high	98.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.5	-44	169.7	0	0	0	0	0	112.2	Y260 F263 D265 G270 C271 W272	Y260-G268 WeakPolarHBondContact CE2-O 3.42Å; F263-G268 VanDerWaalsContact O-CA 3.27Å; F263-G268 WeakPolarHBondContact O-CA 3.42Å; D265-G268 PolarHBondContact O-N 3.01Å; D265-G268 PolarHBondContact OD1-N 2.86Å; G268-G270 VanDerWaalsContact C-N 3.33Å; G268-G270 PolarHBondContact O-N 2.87Å; G268-C271 WeakPolarHBondContact O-CB 3.37Å; G268-C271 PolarHBondContact O-N 3.4Å; G268-W272 PolarHBondContact O-N 3.3Å
269	G	98.2	Very high	98.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56.4	-44.9	172.7	0	0	0	0	0	112.8	D265 D266 V267 W272 A273 S323	D265-G269 PolarHBondContact O-N 3.11Å; D266-G269 PolarHBondContact O-N 2.71Å; V267-G269 VanDerWaalsContact C-N 3.32Å; V267-G269 PolarHBondContact O-N 3.04Å; G269-W272 PolarHBondContact O-N 3.42Å; G269-A273 WeakPolarHBondContact O-CB 3.29Å; G269-A273 PolarHBondContact O-N 3.1Å; G269-S323 WeakPolarHBondContact CA-OG 3.16Å
270	G	98.4	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-66.7	-41	176	0	0	0	0	0	113.5	D266 V267 G268 W272 A273 R274 M371 S376	D266-G270 PolarHBondContact O-N 3.28Å; V267-G270 PolarHBondContact O-N 3.07Å; G268-G270 VanDerWaalsContact C-N 3.33Å; G268-G270 PolarHBondContact O-N 2.87Å; G270-W272 VanDerWaalsContact C-N 3.33Å; G270-W272 PolarHBondContact O-N 2.83Å; G270-A273 PolarHBondContact O-N 3.32Å; G270-R274 WeakPolarHBondContact O-CB 3.3Å; G270-R274 PolarHBondContact O-N 3.34Å; G270-M371 VanDerWaalsContact CA-SD 3.57Å; G270-M371 WeakPolarHBondContact O-CG 3.28Å; G270-S376 VanDerWaalsContact C-CB 3.4Å; G270-S376 WeakPolarHBondContact O-CB 3.48Å
271	C	98.8	Very high	98.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-54.6	-51.5	171.6	156.4	0	0	0	0	110.2	V267 G268 A273 R274 I275 S376 C378	V267-C271 PolarHBondContact O-N 3.21Å; G268-C271 WeakPolarHBondContact O-CB 3.37Å; G268-C271 PolarHBondContact O-N 3.4Å; C271-A273 PolarHBondContact O-N 2.86Å; C271-R274 PolarHBondContact O-N 2.96Å; C271-I275 WeakPolarHBondContact O-CG1 3.21Å; C271-I275 PolarHBondContact O-N 2.82Å; C271-I275 VanDerWaalsContact O-N 3.07Å; C271-S376 WeakPolarHBondContact CA-O 3.48Å; C271-C378 HydrophobicContact CB-CB 4.08Å; C271-C378 WeakPolarHBondContact CB-SG 3.43Å; C271-C378 WeakPolarHBondContact SG-CA 3.36Å; C271-C378 WeakPolarHBondContact SG-CB 3.39Å; C271-C378 CovalentContact SG-SG 2.03Å; C271-C378 PolarHBondContact SG-SG 2.89Å
272	W	98.9	Very high	98.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-44	-179	-169.2	-130.9	0	0	0	112.2	I43 D259 Y260 G268 G269 G270 R274 I275 L276 T288 L308 I327 T328	I43-W272 HydrophobicContact CG2-CZ2 3.8Å; D259-W272 HydrophobicContact CB-CZ3 4.5Å; Y260-W272 HydrophobicContact CD2-CB 4.1Å; Y260-W272 HydrophobicContact CD2-CE3 4.23Å; Y260-W272 HydrophobicContact CE2-CB 4.23Å; Y260-W272 HydrophobicContact CG-CE3 4.2Å; G268-W272 PolarHBondContact O-N 3.3Å; G269-W272 PolarHBondContact O-N 3.42Å; G270-W272 VanDerWaalsContact C-N 3.33Å; G270-W272 PolarHBondContact O-N 2.83Å; W272-R274 VanDerWaalsContact C-N 3.33Å; W272-R274 PolarHBondContact O-N 3.18Å; W272-I275 HydrophobicContact CE3-CD1 3.69Å; W272-I275 HydrophobicContact CE3-CG1 3.85Å; W272-I275 HydrophobicContact CZ3-CD1 3.94Å; W272-I275 HydrophobicContact CZ3-CG1 4.24Å; W272-I275 PolarHBondContact O-N 3.2Å; W272-L276 HydrophobicContact CD2-CD1 4.21Å; W272-L276 HydrophobicContact CD2-CD2 4.37Å; W272-L276 HydrophobicContact CD2-CG 3.99Å; W272-L276 HydrophobicContact CE3-CG 4.43Å; W272-L276 HydrophobicContact CG-CD1 4.28Å; W272-L276 HydrophobicContact CG-CG 4.41Å; W272-L276 HydrophobicContact CH2-CD2 3.86Å; W272-L276 HydrophobicContact CZ2-CD1 4.28Å; W272-L276 HydrophobicContact CZ2-CD2 3.61Å; W272-L276 HydrophobicContact CZ2-CG 4.1Å; W272-L276 HydrophobicContact CZ3-CD2 4.34Å; W272-L276 WeakPolarHBondContact O-CB 3.42Å; W272-L276 VanDerWaalsContact O-CG 3.26Å; W272-L276 WeakPolarHBondContact O-CG 3.46Å; W272-L276 PolarHBondContact O-N 2.87Å; W272-T288 HydrophobicContact CH2-CG2 3.6Å; W272-T288 HydrophobicContact CZ3-CG2 3.55Å; W272-L308 HydrophobicContact CZ2-CD2 4.5Å; W272-I327 HydrophobicContact CB-CG2 4.27Å; W272-I327 HydrophobicContact CG-CG2 4.21Å; W272-T328 PolarHBondContact NE1-OG1 3.34Å
273	A	98.9	Very high	98.3	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.033	9%	0.091	C	C	.	.	H	α-helix	trans	-58.8	-45.5	178.4	0	0	0	0	0	111.7	G269 G270 C271 I327 M371 V446	G269-A273 WeakPolarHBondContact O-CB 3.29Å; G269-A273 PolarHBondContact O-N 3.1Å; G270-A273 PolarHBondContact O-N 3.32Å; C271-A273 PolarHBondContact O-N 2.86Å; A273-I327 VanDerWaalsContact CA-CG2 3.41Å; A273-I327 HydrophobicContact CB-CD1 4.23Å; A273-I327 HydrophobicContact CB-CG1 4.36Å; A273-I327 HydrophobicContact CB-CG2 3.61Å; A273-M371 HydrophobicContact CB-CG 3.9Å; A273-M371 HydrophobicContact CB-SD 3.99Å; A273-V446 HydrophobicContact CB-CG2 3.72Å
274	R	98.9	Very high	98.3	Very high	10 Å²	10	17.9 Å²	17.9	4%	0.038	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-52.2	179.8	-174.1	174.9	51.6	64.9	7.8	111.7	G270 C271 W272 L276 N277 Q278 M371 S376 C378	G270-R274 WeakPolarHBondContact O-CB 3.3Å; G270-R274 PolarHBondContact O-N 3.34Å; C271-R274 PolarHBondContact O-N 2.96Å; W272-R274 VanDerWaalsContact C-N 3.33Å; W272-R274 PolarHBondContact O-N 3.18Å; R274-L276 PolarHBondContact O-N 2.94Å; R274-N277 PolarHBondContact O-N 3.36Å; R274-Q278 HydrophobicContact CG-CG 4.35Å; R274-Q278 WeakPolarHBondContact O-CB 3.28Å; R274-Q278 WeakPolarHBondContact O-CG 3.47Å; R274-Q278 PolarHBondContact O-N 3.27Å; R274-M371 HydrophobicContact CB-CB 4.21Å; R274-M371 HydrophobicContact CB-CG 4.22Å; R274-S376 PolarHBondContact NE-O 3.23Å; R274-S376 PolarHBondContact NE-OG 2.73Å; R274-S376 PolarHBondContact NH2-O 2.78Å; R274-C378 PolarHBondContact NH2-SG 3.35Å
275	I	98.9	Very high	98.4	Very high	5 Å²	5	18 Å²	18	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-73	-28.7	-173	69.9	-177.2	0	0	0	112.8	T241 D259 C271 W272 N277 Q278 N279	T241-I275 HydrophobicContact CG2-CB 4.49Å; T241-I275 HydrophobicContact CG2-CG2 4.12Å; D259-I275 HydrophobicContact CB-CD1 4.12Å; D259-I275 WeakPolarHBondContact OD1-CD1 3.25Å; C271-I275 WeakPolarHBondContact O-CG1 3.21Å; C271-I275 PolarHBondContact O-N 2.82Å; C271-I275 VanDerWaalsContact O-N 3.07Å; W272-I275 HydrophobicContact CE3-CD1 3.69Å; W272-I275 HydrophobicContact CE3-CG1 3.85Å; W272-I275 HydrophobicContact CZ3-CD1 3.94Å; W272-I275 HydrophobicContact CZ3-CG1 4.24Å; W272-I275 PolarHBondContact O-N 3.2Å; I275-N277 VanDerWaalsContact C-N 3.28Å; I275-N277 PolarHBondContact O-N 2.9Å; I275-Q278 PolarHBondContact O-N 2.71Å; I275-N279 WeakPolarHBondContact O-CB 3.27Å; I275-N279 PolarHBondContact O-N 2.88Å; I275-N279 PolarHBondContact O-ND2 2.89Å
276	L	98.9	Very high	98.5	Very high	11 Å²	11	15 Å²	15	6%	0.058	8%	0.078	C	C	.	.	H	α-helix	trans	-58.7	-38.8	174.7	-80	-177.5	0	0	0	112.8	I43 W272 R274 T288 I327	I43-L276 HydrophobicContact CB-CD2 4.5Å; I43-L276 HydrophobicContact CD1-CD1 4.25Å; I43-L276 HydrophobicContact CD1-CD2 3.78Å; I43-L276 HydrophobicContact CG1-CD2 3.82Å; I43-L276 HydrophobicContact CG2-CD2 3.84Å; W272-L276 HydrophobicContact CD2-CD1 4.21Å; W272-L276 HydrophobicContact CD2-CD2 4.37Å; W272-L276 HydrophobicContact CD2-CG 3.99Å; W272-L276 HydrophobicContact CE3-CG 4.43Å; W272-L276 HydrophobicContact CG-CD1 4.28Å; W272-L276 HydrophobicContact CG-CG 4.41Å; W272-L276 HydrophobicContact CH2-CD2 3.86Å; W272-L276 HydrophobicContact CZ2-CD1 4.28Å; W272-L276 HydrophobicContact CZ2-CD2 3.61Å; W272-L276 HydrophobicContact CZ2-CG 4.1Å; W272-L276 HydrophobicContact CZ3-CD2 4.34Å; W272-L276 WeakPolarHBondContact O-CB 3.42Å; W272-L276 VanDerWaalsContact O-CG 3.26Å; W272-L276 WeakPolarHBondContact O-CG 3.46Å; W272-L276 PolarHBondContact O-N 2.87Å; R274-L276 PolarHBondContact O-N 2.94Å; L276-T288 HydrophobicContact CD2-CG2 4.28Å; L276-I327 HydrophobicContact CD1-CG2 4.25Å
277	N	98.9	Very high	98.7	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.011	7%	0.071	C	C	.	.	H	α-helix	trans	-79	-52.4	172.6	-84.3	15.2	0	0	0	111.3	R274 I275 N279 Y280 V281 S353 V355 V367 E369	R274-N277 PolarHBondContact O-N 3.36Å; I275-N277 VanDerWaalsContact C-N 3.28Å; I275-N277 PolarHBondContact O-N 2.9Å; N277-N279 VanDerWaalsContact C-N 3.33Å; N277-N279 PolarHBondContact O-N 2.7Å; N277-Y280 PolarHBondContact O-N 3.16Å; N277-V281 PolarHBondContact O-N 3.23Å; N277-S353 VanDerWaalsContact CB-OG 3.3Å; N277-S353 WeakPolarHBondContact CB-OG 3.09Å; N277-S353 PolarHBondContact ND2-O 2.75Å; N277-V355 HydrophobicContact CB-CG1 4.27Å; N277-V355 WeakPolarHBondContact OD1-CG2 3.15Å; N277-V367 PolarHBondContact ND2-O 3.3Å; N277-V367 VanDerWaalsContact ND2-O 3.09Å; N277-E369 HydrophobicContact CB-CG 4.04Å
278	Q	98.9	Very high	98.8	Very high	21 Å²	21	12.1 Å²	12.1	10%	0.098	6%	0.062	C	C	.	.	H	α-helix	trans	-73.9	-22.5	-165.2	-66.9	-173.4	20.8	0	0	113.6	T241 R274 I275 Y280 V281 N282 E369	T241-Q278 HydrophobicContact CG2-CB 3.73Å; R274-Q278 HydrophobicContact CG-CG 4.35Å; R274-Q278 WeakPolarHBondContact O-CB 3.28Å; R274-Q278 WeakPolarHBondContact O-CG 3.47Å; R274-Q278 PolarHBondContact O-N 3.27Å; I275-Q278 PolarHBondContact O-N 2.71Å; Q278-Y280 PolarHBondContact O-N 2.67Å; Q278-V281 PolarHBondContact O-N 3.48Å; Q278-N282 VanDerWaalsContact O-CB 3.29Å; Q278-N282 WeakPolarHBondContact O-CB 3.34Å; Q278-N282 PolarHBondContact O-N 3.05Å; Q278-E369 PolarHBondContact NE2-OE1 3.11Å
279	N	98.9	Very high	98.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.9	-38.1	171.9	-79.5	-6	0	0	0	111.6	T241 S256 D259 I275 N277 G283 Q284 M285 T288	T241-N279 WeakPolarHBondContact CA-OD1 3.38Å; S256-N279 WeakPolarHBondContact CB-ND2 3.47Å; D259-N279 PolarHBondContact OD2-ND2 3.05Å; D259-N279 VanDerWaalsContact OD2-ND2 3.07Å; I275-N279 WeakPolarHBondContact O-CB 3.27Å; I275-N279 PolarHBondContact O-N 2.88Å; I275-N279 PolarHBondContact O-ND2 2.89Å; N277-N279 VanDerWaalsContact C-N 3.33Å; N277-N279 PolarHBondContact O-N 2.7Å; N279-G283 CarbonylContact O-C 3.59Å; N279-G283 VanDerWaalsContact O-CA 3.31Å; N279-G283 WeakPolarHBondContact O-CA 3.26Å; N279-G283 PolarHBondContact O-N 2.95Å; N279-G283 VanDerWaalsContact O-N 3.12Å; N279-Q284 PolarHBondContact O-N 3.35Å; N279-M285 HydrophobicContact CB-CB 4.18Å; N279-M285 HydrophobicContact CB-CE 3.64Å; N279-M285 HydrophobicContact CB-SD 4.5Å; N279-M285 WeakPolarHBondContact O-CB 3.3Å; N279-M285 WeakPolarHBondContact O-CE 3.42Å; N279-M285 PolarHBondContact O-N 2.96Å; N279-T288 VanDerWaalsContact ND2-CG2 3.35Å; N279-T288 WeakPolarHBondContact ND2-CG2 3.25Å; N279-T288 PolarHBondContact ND2-OG1 3.02Å
280	Y	98.9	Very high	98.8	Very high	17 Å²	17	12.1 Å²	12.1	7%	0.067	6%	0.062	C	C	.	.	H	α-helix	trans	-78.5	-47.1	173.5	-175.5	-106	0	0	0	112.2	R38 N277 Q278 N282 Q284 M285 T286 Y341 V345 V355	R38-Y280 HydrophobicContact CB-CE2 3.95Å; R38-Y280 HydrophobicContact CG-CE2 4.26Å; R38-Y280 PolarHBondContact N-OH 2.91Å; N277-Y280 PolarHBondContact O-N 3.16Å; Q278-Y280 PolarHBondContact O-N 2.67Å; Y280-N282 VanDerWaalsContact C-N 3.32Å; Y280-N282 PolarHBondContact O-N 3.44Å; Y280-Q284 VanDerWaalsContact O-CA 3.25Å; Y280-Q284 WeakPolarHBondContact O-CA 3.24Å; Y280-Q284 PolarHBondContact O-N 3.04Å; Y280-M285 WeakPolarHBondContact CA-O 3.36Å; Y280-M285 WeakPolarHBondContact CB-O 3.49Å; Y280-M285 WeakPolarHBondContact CD2-O 3.39Å; Y280-T286 HydrophobicContact CD2-CG2 4.22Å; Y280-T286 HydrophobicContact CE2-CG2 4.14Å; Y280-Y341 AromaticContact CD1-CD1 3.43Å; Y280-Y341 HydrophobicContact CD1-CD1 3.43Å; Y280-Y341 VanDerWaalsContact CD1-CD1 3.43Å; Y280-Y341 AromaticContact CD1-CD2 4Å; Y280-Y341 HydrophobicContact CD1-CD2 4Å; Y280-Y341 AromaticContact CD1-CE1 3.64Å; Y280-Y341 HydrophobicContact CD1-CE1 3.64Å; Y280-Y341 HydrophobicContact CD1-CE2 4.18Å; Y280-Y341 AromaticContact CD1-CG 3.62Å; Y280-Y341 HydrophobicContact CD1-CG 3.62Å; Y280-Y341 AromaticContact CD2-CD2 3.7Å; Y280-Y341 HydrophobicContact CD2-CD2 3.7Å; Y280-Y341 AromaticContact CD2-CE2 3.63Å; Y280-Y341 HydrophobicContact CD2-CE2 3.63Å; Y280-Y341 HydrophobicContact CD2-CG 4.18Å; Y280-Y341 AromaticContact CE1-CD1 3.51Å; Y280-Y341 HydrophobicContact CE1-CD1 3.51Å; Y280-Y341 AromaticContact CE1-CD2 3.81Å; Y280-Y341 HydrophobicContact CE1-CD2 3.81Å; Y280-Y341 HydrophobicContact CE1-CE1 4.19Å; Y280-Y341 HydrophobicContact CE1-CE2 4.45Å; Y280-Y341 AromaticContact CE1-CG 3.29Å; Y280-Y341 HydrophobicContact CE1-CG 3.29Å; Y280-Y341 AromaticContact CE2-CD2 3.51Å; Y280-Y341 HydrophobicContact CE2-CD2 3.51Å; Y280-Y341 AromaticContact CE2-CE2 3.95Å; Y280-Y341 HydrophobicContact CE2-CE2 3.95Å; Y280-Y341 AromaticContact CE2-CG 3.91Å; Y280-Y341 HydrophobicContact CE2-CG 3.91Å; Y280-Y341 AromaticContact CG-CD1 4Å; Y280-Y341 HydrophobicContact CG-CD1 4Å; Y280-Y341 AromaticContact CG-CD2 3.94Å; Y280-Y341 HydrophobicContact CG-CD2 3.94Å; Y280-Y341 AromaticContact CG-CE1 3.82Å; Y280-Y341 HydrophobicContact CG-CE1 3.82Å; Y280-Y341 AromaticContact CG-CE2 3.76Å; Y280-Y341 HydrophobicContact CG-CE2 3.76Å; Y280-Y341 HydrophobicContact CG-CG 4.05Å; Y280-Y341 AromaticContact CG-CZ 3.7Å; Y280-Y341 AromaticContact CZ-CD2 3.56Å; Y280-Y341 AromaticContact CZ-CG 3.44Å; Y280-Y341 VanDerWaalsContact CZ-CG 3.44Å; Y280-Y341 WeakPolarHBondContact OH-CB 3.42Å; Y280-V345 HydrophobicContact CD1-CG2 4.06Å; Y280-V345 HydrophobicContact CE1-CG1 4.47Å; Y280-V345 HydrophobicContact CE1-CG2 3.8Å; Y280-V355 HydrophobicContact CD1-CG1 4.44Å
281	V	98.8	Very high	98.9	Very high	31 Å²	31	12.5 Å²	12.5	19%	0.188	6%	0.063	C	C	.	.	H	α-helix	trans	-58.8	-43.2	-176.3	175.5	0	0	0	0	111.9	N277 Q278 V345 V355	N277-V281 PolarHBondContact O-N 3.23Å; Q278-V281 PolarHBondContact O-N 3.48Å; V281-V345 HydrophobicContact CG2-CB 4.48Å; V281-V345 HydrophobicContact CG2-CG2 4.41Å; V281-V355 HydrophobicContact CG2-CG1 3.71Å
282	N	98.8	Very high	98.9	Very high	62 Å²	62	12.5 Å²	12.5	33%	0.332	6%	0.063	S	C	.	.	H	α-helix	trans	-96.1	-37.5	-173.7	-61.7	-16.9	0	0	0	112.4	T241 Q278 Y280 H347	T241-N282 CarbonylContact O-C 3.51Å; T241-N282 WeakPolarHBondContact O-CB 3.21Å; T241-N282 PolarHBondContact OG1-ND2 3.07Å; Q278-N282 VanDerWaalsContact O-CB 3.29Å; Q278-N282 WeakPolarHBondContact O-CB 3.34Å; Q278-N282 PolarHBondContact O-N 3.05Å; Y280-N282 VanDerWaalsContact C-N 3.32Å; Y280-N282 PolarHBondContact O-N 3.44Å; N282-H347 PolarHBondContact OD1-NE2 2.93Å
283	G	98.6	Very high	98.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-111.9	-3.8	-169.3	0	0	0	0	0	114.9	T241 T243 N279 M285	T241-G283 VanDerWaalsContact O-CA 3.29Å; T241-G283 WeakPolarHBondContact O-CA 3.45Å; T241-G283 PolarHBondContact O-N 3.39Å; T243-G283 WeakPolarHBondContact CB-O 3.41Å; T243-G283 VanDerWaalsContact CG2-O 3.23Å; T243-G283 WeakPolarHBondContact CG2-O 3.42Å; N279-G283 CarbonylContact O-C 3.59Å; N279-G283 VanDerWaalsContact O-CA 3.31Å; N279-G283 WeakPolarHBondContact O-CA 3.26Å; N279-G283 PolarHBondContact O-N 2.95Å; N279-G283 VanDerWaalsContact O-N 3.12Å; G283-M285 PolarHBondContact O-N 2.87Å; G283-M285 VanDerWaalsContact O-N 3.15Å
284	Q	98.6	Very high	98.9	Very high	79 Å²	79	12.3 Å²	12.3	37%	0.369	6%	0.062	S	C	.	.			trans	53.2	27	-170.4	-55	-176.6	24.1	0	0	113.5	R38 L248 N279 Y280	R38-Q284 WeakPolarHBondContact CD-O 3.35Å; L248-Q284 HydrophobicContact CD2-CB 4.25Å; L248-Q284 HydrophobicContact CD2-CG 4.19Å; N279-Q284 PolarHBondContact O-N 3.35Å; Y280-Q284 VanDerWaalsContact O-CA 3.25Å; Y280-Q284 WeakPolarHBondContact O-CA 3.24Å; Y280-Q284 PolarHBondContact O-N 3.04Å
285	M	98.9	Very high	98.9	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	6%	0.06	C	C	.	.			trans	-78.9	130.2	178.5	-67.3	176	-81.5	0	0	110.5	W215 P239 L254 N279 Y280 G283	W215-M285 HydrophobicContact CH2-CG 3.98Å; W215-M285 HydrophobicContact CH2-SD 3.79Å; W215-M285 HydrophobicContact CZ2-CG 4.41Å; W215-M285 HydrophobicContact CZ2-SD 3.76Å; P239-M285 HydrophobicContact CB-CE 4.05Å; P239-M285 HydrophobicContact CB-SD 4.08Å; P239-M285 HydrophobicContact CG-CE 3.6Å; P239-M285 HydrophobicContact CG-SD 3.59Å; P239-M285 VanDerWaalsContact CG-SD 3.59Å; L254-M285 HydrophobicContact CB-CG 4.12Å; L254-M285 CarbonylContact O-C 3.37Å; L254-M285 WeakPolarHBondContact O-CA 3.29Å; N279-M285 HydrophobicContact CB-CB 4.18Å; N279-M285 HydrophobicContact CB-CE 3.64Å; N279-M285 HydrophobicContact CB-SD 4.5Å; N279-M285 WeakPolarHBondContact O-CB 3.3Å; N279-M285 WeakPolarHBondContact O-CE 3.42Å; N279-M285 PolarHBondContact O-N 2.96Å; Y280-M285 WeakPolarHBondContact CA-O 3.36Å; Y280-M285 WeakPolarHBondContact CB-O 3.49Å; Y280-M285 WeakPolarHBondContact CD2-O 3.39Å; G283-M285 PolarHBondContact O-N 2.87Å; G283-M285 VanDerWaalsContact O-N 3.15Å
286	T	98.9	Very high	98.9	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.012	6%	0.059	C	C	.	.			trans	-104.3	-5	-169.7	47.8	0	0	0	0	113.9	R38 V39 F40 D41 L254 Y280	R38-T286 HydrophobicContact CB-CG2 3.54Å; R38-T286 HydrophobicContact CG-CG2 4.39Å; V39-T286 WeakPolarHBondContact O-CB 3.37Å; V39-T286 WeakPolarHBondContact O-CG2 3.34Å; F40-T286 WeakPolarHBondContact CD2-O 3.32Å; D41-T286 PolarHBondContact N-O 2.91Å; D41-T286 VanDerWaalsContact OD2-CB 3.31Å; D41-T286 WeakPolarHBondContact OD2-CB 3.31Å; D41-T286 PolarHBondContact OD2-OG1 2.85Å; L254-T286 PolarHBondContact O-N 2.85Å; Y280-T286 HydrophobicContact CD2-CG2 4.22Å; Y280-T286 HydrophobicContact CE2-CG2 4.14Å
287	A	98.9	Very high	98.9	Very high	2 Å²	2	11.2 Å²	11.2	2%	0.017	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.4	163.9	0	0	0	0	0	111	D41 G42 I82 W255 S256	D41-A287 HydrophobicContact CB-CB 3.99Å; G42-A287 WeakPolarHBondContact O-CA 3.37Å; G42-A287 VanDerWaalsContact O-CB 3.23Å; G42-A287 WeakPolarHBondContact O-CB 3.38Å; I82-A287 HydrophobicContact CD1-CB 3.96Å; W255-A287 WeakPolarHBondContact CA-O 3.5Å; W255-A287 HydrophobicContact CB-CB 4.27Å; W255-A287 HydrophobicContact CD2-CB 3.91Å; W255-A287 HydrophobicContact CG-CB 3.68Å; S256-A287 PolarHBondContact N-O 3.26Å
288	T	99	Very high	98.9	Very high	6 Å²	6	11.5 Å²	11.5	4%	0.037	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.1	172.7	-55	0	0	0	0	108.3	I43 G44 S256 D259 W272 L276 N279	I43-T288 WeakPolarHBondContact CA-O 3.46Å; G44-T288 PolarHBondContact N-O 2.89Å; G44-T288 VanDerWaalsContact N-O 3.08Å; S256-T288 CarbonylContact O-C 3.43Å; S256-T288 WeakPolarHBondContact O-CA 3.21Å; D259-T288 HydrophobicContact CB-CG2 3.94Å; W272-T288 HydrophobicContact CH2-CG2 3.6Å; W272-T288 HydrophobicContact CZ3-CG2 3.55Å; L276-T288 HydrophobicContact CD2-CG2 4.28Å; N279-T288 VanDerWaalsContact ND2-CG2 3.35Å; N279-T288 WeakPolarHBondContact ND2-CG2 3.25Å; N279-T288 PolarHBondContact ND2-OG1 3.02Å
289	I	99	Very high	98.8	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.3	-176.2	-53.8	175.9	0	0	0	108.9	G44 L46 I82 K84 I132 S256 E258 D259	G44-I289 WeakPolarHBondContact O-CA 3.35Å; L46-I289 HydrophobicContact CB-CG2 4.19Å; I82-I289 HydrophobicContact CG2-CD1 4.03Å; I82-I289 HydrophobicContact CG2-CG1 4.38Å; K84-I289 HydrophobicContact CB-CG2 4.15Å; K84-I289 HydrophobicContact CD-CD1 4.23Å; K84-I289 HydrophobicContact CD-CG2 4.44Å; I132-I289 HydrophobicContact CD1-CD1 3.8Å; S256-I289 PolarHBondContact O-N 2.9Å; E258-I289 CarbonylContact C-O 3.53Å; E258-I289 WeakPolarHBondContact CA-O 3.41Å; D259-I289 PolarHBondContact N-O 3.01Å
290	S	98.9	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.1	179.7	64	0	0	0	0	111.5	G44 L46 L308	G44-S290 PolarHBondContact O-N 3.15Å; G44-S290 PolarHBondContact O-OG 3.17Å; L46-S290 WeakPolarHBondContact CB-O 3.44Å; L46-S290 PolarHBondContact N-O 2.56Å; S290-L308 WeakPolarHBondContact OG-CD1 3.27Å; S290-L308 WeakPolarHBondContact OG-CG 3.02Å
291	W	98.9	Very high	98.8	Very high	7 Å²	7	17.3 Å²	17.3	3%	0.027	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.5	154.2	-170.6	84.5	0	0	0	108.2	L46 G48 G49 T52 T94 E258 D259 S261 F303 D306	L46-W291 HydrophobicContact CD1-CB 4.4Å; G48-W291 PolarHBondContact O-NE1 3.17Å; G49-W291 VanDerWaalsContact O-CZ2 3.25Å; G49-W291 WeakPolarHBondContact O-CZ2 3.25Å; G49-W291 PolarHBondContact O-NE1 3.48Å; T52-W291 HydrophobicContact CG2-CZ2 4.04Å; T94-W291 HydrophobicContact CG2-CH2 3.79Å; T94-W291 HydrophobicContact CG2-CZ2 3.87Å; E258-W291 HydrophobicContact CG-CB 3.59Å; E258-W291 HydrophobicContact CG-CG 4.41Å; D259-W291 PolarHBondContact O-N 2.93Å; S261-W291 WeakPolarHBondContact CA-O 3.46Å; S261-W291 PolarHBondContact N-O 2.82Å; S261-W291 WeakPolarHBondContact OG-CZ3 3.38Å; W291-F303 HydrophobicContact CH2-CB 3.69Å; W291-F303 AromaticContact CH2-CD2 3.8Å; W291-F303 HydrophobicContact CH2-CD2 3.8Å; W291-F303 AromaticContact CH2-CG 3.93Å; W291-F303 HydrophobicContact CH2-CG 3.93Å; W291-F303 HydrophobicContact CZ3-CB 3.63Å; W291-F303 HydrophobicContact CZ3-CD1 4.48Å; W291-F303 HydrophobicContact CZ3-CD2 4.03Å; W291-F303 AromaticContact CZ3-CG 3.79Å; W291-F303 HydrophobicContact CZ3-CG 3.79Å; W291-D306 CarbonylContact C-O 3.6Å; W291-D306 HydrophobicContact CZ3-CB 4.46Å
292	N	98.8	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.			cis	-116.4	173.4	-2.5	59.7	57.6	0	0	0	113.7	L46 T52 V294 Y297 D306 G307 L308	L46-N292 CarbonylContact O-C 3.59Å; L46-N292 WeakPolarHBondContact O-CA 3.47Å; L46-N292 WeakPolarHBondContact O-CB 3.33Å; T52-N292 HydrophobicContact CG2-CB 3.84Å; N292-V294 VanDerWaalsContact OD1-C 3.32Å; N292-V294 PolarHBondContact OD1-O 3Å; N292-Y297 WeakPolarHBondContact ND2-CE1 3.16Å; N292-Y297 PolarHBondContact ND2-OH 3.23Å; N292-D306 PolarHBondContact N-O 3.24Å; N292-G307 VanDerWaalsContact O-CA 3.29Å; N292-G307 WeakPolarHBondContact O-CA 3.32Å; N292-G307 WeakPolarHBondContact OD1-CA 3.45Å; N292-G307 PolarHBondContact OD1-N 2.99Å; N292-L308 PolarHBondContact O-N 2.84Å; N292-L308 VanDerWaalsContact O-N 3.14Å
293	L	98.9	Very high	98.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-62.2	-48.9	-176.8	173.9	68.7	0	0	0	111.7	L46 L71 F72 L80 L83 L118 L308	L46-L293 WeakPolarHBondContact O-CB 3.46Å; L46-L293 PolarHBondContact O-N 3.4Å; L71-L293 HydrophobicContact CD1-CD1 4.26Å; L71-L293 HydrophobicContact CD1-CD2 4.24Å; L71-L293 HydrophobicContact CD1-CG 4.07Å; L71-L293 HydrophobicContact CD2-CD1 3.89Å; L71-L293 HydrophobicContact CD2-CG 4.28Å; L71-L293 HydrophobicContact CG-CD1 4.47Å; F72-L293 HydrophobicContact CE1-CD1 4.22Å; F72-L293 HydrophobicContact CZ-CD1 4.12Å; F72-L293 HydrophobicContact CZ-CD2 3.78Å; L80-L293 HydrophobicContact CD1-CD1 3.34Å; L83-L293 HydrophobicContact CD1-CD2 3.98Å; L118-L293 HydrophobicContact CD1-CD2 4.39Å; L118-L293 HydrophobicContact CD2-CD2 3.78Å; L293-L308 WeakPolarHBondContact O-CB 3.16Å; L293-L308 PolarHBondContact O-N 2.99Å
294	V	98.9	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.			trans	-155.8	134.9	-175.2	55.5	0	0	0	0	108.2	T52 L56 L71 N292 S296 M309 A311	T52-V294 VanDerWaalsContact O-O 3.05Å; L56-V294 HydrophobicContact CD2-CG1 4.24Å; L71-V294 HydrophobicContact CD1-CB 4.3Å; L71-V294 HydrophobicContact CD1-CG1 4.36Å; N292-V294 VanDerWaalsContact OD1-C 3.32Å; N292-V294 PolarHBondContact OD1-O 3Å; V294-S296 PolarHBondContact O-N 3.44Å; V294-M309 HydrophobicContact CB-CG 4.23Å; V294-M309 HydrophobicContact CG2-CG 3.82Å; V294-A311 HydrophobicContact CG2-CB 3.89Å
295	A	98.9	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-79.5	87.4	175.3	0	0	0	0	0	110.2	Y297 M309 A311	A295-Y297 HydrophobicContact CB-CE1 3.97Å; A295-M309 PolarHBondContact N-O 3.28Å; A295-A311 CarbonylContact O-C 3.18Å; A295-A311 PolarHBondContact O-N 2.88Å
296	S	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.			trans	-119.6	52.9	177.4	-72.7	0	0	0	0	110.9	T52 R54 L55 V294 A311	T52-S296 CarbonylContact O-C 3.43Å; T52-S296 VanDerWaalsContact O-C 3.27Å; T52-S296 WeakPolarHBondContact O-CA 3.43Å; T52-S296 WeakPolarHBondContact O-CB 3.48Å; T52-S296 PolarHBondContact O-N 2.97Å; R54-S296 PolarHBondContact N-O 3.26Å; L55-S296 VanDerWaalsContact CB-O 3.3Å; L55-S296 WeakPolarHBondContact CB-O 3.31Å; L55-S296 PolarHBondContact N-O 2.7Å; V294-S296 PolarHBondContact O-N 3.44Å; S296-A311 WeakPolarHBondContact CA-O 3.3Å; S296-A311 VanDerWaalsContact CB-O 3.29Å; S296-A311 WeakPolarHBondContact CB-O 3.49Å; S296-A311 WeakPolarHBondContact OG-CB 3.38Å; S296-A311 PolarHBondContact OG-O 2.97Å
297	Y	98.9	Very high	98.7	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.012	8%	0.079	C	C	.	.	S	Bend	trans	-142	165	175.4	49.8	-81.8	0	0	0	108.4	T52 D95 N292 A295 Q299 L301 F303 D306 Q312	T52-Y297 HydrophobicContact CG2-CD1 4.48Å; T52-Y297 HydrophobicContact CG2-CE1 4.27Å; T52-Y297 WeakPolarHBondContact O-CD1 3.37Å; D95-Y297 HydrophobicContact CB-CD2 4.1Å; D95-Y297 HydrophobicContact CB-CG 4.32Å; N292-Y297 WeakPolarHBondContact ND2-CE1 3.16Å; N292-Y297 PolarHBondContact ND2-OH 3.23Å; A295-Y297 HydrophobicContact CB-CE1 3.97Å; Y297-Q299 PolarHBondContact O-N 3.1Å; Y297-L301 HydrophobicContact CD2-CB 4.33Å; Y297-F303 PolarHBondContact OH-O 3.35Å; Y297-D306 PolarHBondContact OH-N 2.99Å; Y297-Q312 WeakPolarHBondContact O-CB 3.33Å
298	Y	98.9	Very high	98.7	Very high	9 Å²	9	16.1 Å²	16.1	4%	0.035	8%	0.079	C	C	.	.			trans	-61.2	129.2	178.3	-67.1	-59.3	0	0	0	110.7	L55 E300 L301 W315 N489 A491 V534 G536 W646	L55-Y298 HydrophobicContact CD1-CD1 4.08Å; L55-Y298 HydrophobicContact CD1-CE1 4.15Å; L55-Y298 HydrophobicContact CD1-CG 4.47Å; Y298-E300 PolarHBondContact O-N 3.23Å; Y298-E300 VanDerWaalsContact O-N 3.15Å; Y298-L301 HydrophobicContact CD2-CD1 4.36Å; Y298-L301 VanDerWaalsContact O-CB 3.26Å; Y298-L301 WeakPolarHBondContact O-CB 3.25Å; Y298-L301 PolarHBondContact O-N 2.74Å; Y298-W315 HydrophobicContact CD1-CH2 4.45Å; Y298-W315 AromaticContact CE1-CH2 3.93Å; Y298-W315 HydrophobicContact CE1-CH2 3.93Å; Y298-W315 HydrophobicContact CE1-CZ3 4.11Å; Y298-N489 PolarHBondContact OH-O 3.44Å; Y298-A491 HydrophobicContact CD2-CB 4.19Å; Y298-A491 HydrophobicContact CE2-CB 3.98Å; Y298-V534 HydrophobicContact CD2-CG2 4.44Å; Y298-G536 WeakPolarHBondContact CE1-O 3.42Å; Y298-G536 PolarHBondContact OH-N 2.82Å; Y298-W646 AromaticContact CD2-NE1 3.97Å; Y298-W646 HydrophobicContact CG-CZ2 4.44Å; Y298-W646 AromaticContact CG-NE1 3.78Å
299	Q	98.4	Very high	98.7	Very high	75 Å²	75	15.9 Å²	15.9	35%	0.35	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.9	-173.3	-174.2	174.6	-26.2	0	0	113.5	Y297 L301 G304 R305	Y297-Q299 PolarHBondContact O-N 3.1Å; Q299-L301 VanDerWaalsContact C-N 3.27Å; Q299-L301 PolarHBondContact O-N 2.97Å; Q299-G304 VanDerWaalsContact O-CA 3.28Å; Q299-G304 WeakPolarHBondContact O-CA 3.31Å; Q299-R305 HydrophobicContact CG-CG 4.16Å
300	E	98.4	Very high	98.7	Very high	76 Å²	76	16.1 Å²	16.1	36%	0.355	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.5	177.8	-62.5	95.2	156.2	0	0	114.5	Y298 Y538 Q539 W646	Y298-E300 PolarHBondContact O-N 3.23Å; Y298-E300 VanDerWaalsContact O-N 3.15Å; E300-Y538 HydrophobicContact CB-CD1 3.83Å; E300-Y538 HydrophobicContact CB-CD2 3.92Å; E300-Y538 HydrophobicContact CB-CE1 4.2Å; E300-Y538 HydrophobicContact CB-CE2 4.29Å; E300-Y538 HydrophobicContact CB-CG 3.67Å; E300-Y538 VanDerWaalsContact CD-CB 3.43Å; E300-Y538 HydrophobicContact CG-CD1 3.45Å; E300-Y538 VanDerWaalsContact CG-CD1 3.45Å; E300-Y538 HydrophobicContact CG-CD2 4.42Å; E300-Y538 HydrophobicContact CG-CE1 4.01Å; E300-Y538 HydrophobicContact CG-CG 3.68Å; E300-Q539 PolarHBondContact OE1-NE2 2.72Å; E300-W646 HydrophobicContact CB-CH2 4.01Å; E300-W646 HydrophobicContact CB-CZ2 3.83Å
301	L	98.8	Very high	98.7	Very high	8 Å²	8	16.1 Å²	16.1	4%	0.042	8%	0.079	C	C	.	.	S	Bend	trans	-69.7	166	161.6	-66.6	166.3	0	0	0	110	D95 Y297 Y298 Q299 W646	D95-L301 HydrophobicContact CB-CB 4.26Å; D95-L301 HydrophobicContact CB-CD1 4.24Å; D95-L301 WeakPolarHBondContact O-CD1 3.3Å; Y297-L301 HydrophobicContact CD2-CB 4.33Å; Y298-L301 HydrophobicContact CD2-CD1 4.36Å; Y298-L301 VanDerWaalsContact O-CB 3.26Å; Y298-L301 WeakPolarHBondContact O-CB 3.25Å; Y298-L301 PolarHBondContact O-N 2.74Å; Q299-L301 VanDerWaalsContact C-N 3.27Å; Q299-L301 PolarHBondContact O-N 2.97Å; L301-W646 HydrophobicContact CD2-CH2 3.96Å; L301-W646 HydrophobicContact CD2-CZ3 4.39Å; L301-W646 HydrophobicContact CG-CH2 4.1Å; L301-W646 HydrophobicContact CG-CZ2 4.32Å
302	P	98.4	Very high	98.6	Very high	27 Å²	27	17.1 Å²	17.1	18%	0.175	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	146.7	176.4	-28.6	37.8	0	0	0	113	T94 D95 G304	T94-P302 HydrophobicContact CG2-CB 4.23Å; D95-P302 WeakPolarHBondContact OD1-CD 3.11Å; P302-G304 PolarHBondContact O-N 3.33Å
303	F	98.1	Very high	98.6	Very high	52 Å²	52	18 Å²	18	23%	0.228	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	36.4	173.7	-53	-72.7	0	0	0	114.4	T94 W291 Y297 R305 D306 I379	T94-F303 HydrophobicContact CG2-CD2 3.73Å; T94-F303 HydrophobicContact CG2-CE2 4.09Å; W291-F303 HydrophobicContact CH2-CB 3.69Å; W291-F303 AromaticContact CH2-CD2 3.8Å; W291-F303 HydrophobicContact CH2-CD2 3.8Å; W291-F303 AromaticContact CH2-CG 3.93Å; W291-F303 HydrophobicContact CH2-CG 3.93Å; W291-F303 HydrophobicContact CZ3-CB 3.63Å; W291-F303 HydrophobicContact CZ3-CD1 4.48Å; W291-F303 HydrophobicContact CZ3-CD2 4.03Å; W291-F303 AromaticContact CZ3-CG 3.79Å; W291-F303 HydrophobicContact CZ3-CG 3.79Å; Y297-F303 PolarHBondContact OH-O 3.35Å; F303-R305 PolarHBondContact O-N 3.16Å; F303-D306 HydrophobicContact CB-CB 4.14Å; F303-D306 VanDerWaalsContact CB-OD2 3.31Å; F303-D306 WeakPolarHBondContact CB-OD2 3.4Å; F303-D306 WeakPolarHBondContact CD1-OD2 3.41Å; F303-D306 VanDerWaalsContact O-CB 3.31Å; F303-D306 WeakPolarHBondContact O-CB 3.5Å; F303-D306 VanDerWaalsContact O-CG 3.31Å; F303-D306 PolarHBondContact O-N 3.48Å; F303-D306 VanDerWaalsContact O-N 3.13Å; F303-I379 HydrophobicContact CD1-CD1 4.13Å; F303-I379 HydrophobicContact CE1-CD1 3.8Å
304	G	97.6	Very high	98.6	Very high	13 Å²	13	18.5 Å²	18.5	13%	0.134	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	124.3	179.5	0	0	0	0	0	112.9	F263 Q299 P302	F263-G304 VanDerWaalsContact CD2-O 3.23Å; F263-G304 WeakPolarHBondContact CD2-O 3.42Å; F263-G304 WeakPolarHBondContact CE2-O 3.37Å; Q299-G304 VanDerWaalsContact O-CA 3.28Å; Q299-G304 WeakPolarHBondContact O-CA 3.31Å; P302-G304 PolarHBondContact O-N 3.33Å
305	R	98.3	Very high	98.6	Very high	52 Å²	52	21.9 Å²	21.9	20%	0.196	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	31.4	-176.2	-64.4	-179.7	48.1	169.9	-2.4	116.1	F263 N264 Q299 F303 G307 T310 E322	F263-R305 HydrophobicContact CD2-CB 3.92Å; F263-R305 HydrophobicContact CE2-CB 3.57Å; F263-R305 HydrophobicContact CE2-CG 4.21Å; F263-R305 HydrophobicContact CZ-CB 4.02Å; F263-R305 HydrophobicContact CZ-CG 4.42Å; N264-R305 WeakPolarHBondContact CB-O 3.49Å; N264-R305 PolarHBondContact N-O 2.88Å; N264-R305 PolarHBondContact ND2-O 3.47Å; N264-R305 PolarHBondContact OD1-NE 3.44Å; N264-R305 PolarHBondContact OD1-NH2 3.18Å; N264-R305 PolarHBondContact OD1-O 2.93Å; Q299-R305 HydrophobicContact CG-CG 4.16Å; F303-R305 PolarHBondContact O-N 3.16Å; R305-G307 PolarHBondContact O-N 3.11Å; R305-T310 HydrophobicContact CG-CG2 4.04Å; R305-E322 IonicContact CZ-OE1 2.71Å; R305-E322 IonicContact NH2-OE1 3.64Å; R305-E322 PolarHBondContact NH2-OE1 2.63Å; R305-E322 IonicContact NH2-OE2 3.46Å
306	D	98.6	Very high	98.6	Very high	10 Å²	10	23 Å²	23	5%	0.053	11%	0.112	C	C	.	.			trans	-90.7	28.7	173.9	-68.5	4.8	0	0	0	113	Y260 F263 W291 N292 Y297 F303	Y260-D306 WeakPolarHBondContact CE1-O 3.38Å; F263-D306 WeakPolarHBondContact CA-OD1 3.41Å; F263-D306 PolarHBondContact N-OD1 3Å; W291-D306 CarbonylContact C-O 3.6Å; W291-D306 HydrophobicContact CZ3-CB 4.46Å; N292-D306 PolarHBondContact N-O 3.24Å; Y297-D306 PolarHBondContact OH-N 2.99Å; F303-D306 HydrophobicContact CB-CB 4.14Å; F303-D306 VanDerWaalsContact CB-OD2 3.31Å; F303-D306 WeakPolarHBondContact CB-OD2 3.4Å; F303-D306 WeakPolarHBondContact CD1-OD2 3.41Å; F303-D306 VanDerWaalsContact O-CB 3.31Å; F303-D306 WeakPolarHBondContact O-CB 3.5Å; F303-D306 VanDerWaalsContact O-CG 3.31Å; F303-D306 PolarHBondContact O-N 3.48Å; F303-D306 VanDerWaalsContact O-N 3.13Å
307	G	98.7	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-105.2	159.9	177.5	0	0	0	0	0	113.4	N264 N292 R305 M309	N264-G307 WeakPolarHBondContact CB-O 3.43Å; N264-G307 PolarHBondContact ND2-O 3.37Å; N292-G307 VanDerWaalsContact O-CA 3.29Å; N292-G307 WeakPolarHBondContact O-CA 3.32Å; N292-G307 WeakPolarHBondContact OD1-CA 3.45Å; N292-G307 PolarHBondContact OD1-N 2.99Å; R305-G307 PolarHBondContact O-N 3.11Å; G307-M309 PolarHBondContact O-N 2.84Å
308	L	98.9	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-57.3	-27.1	-179.3	-63.2	176	0	0	0	114	L80 Y260 W272 S290 N292 L293 P324 I325	L80-L308 HydrophobicContact CD1-CD1 4.33Å; L80-L308 HydrophobicContact CD2-CD1 4.19Å; Y260-L308 HydrophobicContact CE1-CD2 4.47Å; W272-L308 HydrophobicContact CZ2-CD2 4.5Å; S290-L308 WeakPolarHBondContact OG-CD1 3.27Å; S290-L308 WeakPolarHBondContact OG-CG 3.02Å; N292-L308 PolarHBondContact O-N 2.84Å; N292-L308 VanDerWaalsContact O-N 3.14Å; L293-L308 WeakPolarHBondContact O-CB 3.16Å; L293-L308 PolarHBondContact O-N 2.99Å; L308-P324 HydrophobicContact CB-CB 4.35Å; L308-P324 HydrophobicContact CD2-CB 3.77Å; L308-I325 HydrophobicContact CB-CD1 3.99Å; L308-I325 WeakPolarHBondContact O-CG1 3.31Å
309	M	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-145	171.7	170.9	64.3	179.1	-68.9	0	0	110.8	I67 L71 V294 A295 G307 Y319 V320 V321 I325	I67-M309 HydrophobicContact CB-CE 4.28Å; I67-M309 HydrophobicContact CG1-CE 4.03Å; I67-M309 HydrophobicContact CG2-CE 3.89Å; I67-M309 HydrophobicContact CG2-SD 4.03Å; L71-M309 HydrophobicContact CD1-SD 4.49Å; L71-M309 HydrophobicContact CD2-CG 4.08Å; L71-M309 HydrophobicContact CD2-SD 3.87Å; L71-M309 HydrophobicContact CG-SD 3.93Å; V294-M309 HydrophobicContact CB-CG 4.23Å; V294-M309 HydrophobicContact CG2-CG 3.82Å; A295-M309 PolarHBondContact N-O 3.28Å; G307-M309 PolarHBondContact O-N 2.84Å; M309-Y319 HydrophobicContact CE-CD2 3.9Å; M309-V320 WeakPolarHBondContact CB-O 3.34Å; M309-V321 HydrophobicContact CE-CG2 4.38Å; M309-I325 HydrophobicContact CB-CD1 3.92Å; M309-I325 HydrophobicContact CB-CG1 3.76Å; M309-I325 HydrophobicContact CG-CD1 4.03Å; M309-I325 HydrophobicContact CG-CG1 4.38Å; M309-I325 HydrophobicContact SD-CD1 4Å; M309-I325 HydrophobicContact SD-CG1 4.42Å
310	T	98.9	Very high	98.6	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.043	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.6	-177.5	-52.9	0	0	0	0	111.3	N264 R305 Q312 Y319 V320 E322	N264-T310 PolarHBondContact ND2-OG1 3.4Å; N264-T310 PolarHBondContact OD1-OG1 2.97Å; R305-T310 HydrophobicContact CG-CG2 4.04Å; T310-Q312 HydrophobicContact CG2-CG 3.95Å; T310-Y319 CarbonylContact O-C 3.55Å; T310-Y319 WeakPolarHBondContact O-CA 3.48Å; T310-Y319 WeakPolarHBondContact O-CB 3.37Å; T310-V320 PolarHBondContact N-O 3.1Å; T310-V320 VanDerWaalsContact N-O 3.09Å; T310-V320 PolarHBondContact O-N 3.04Å; T310-E322 PolarHBondContact OG1-OE1 3.11Å
311	A	98.9	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	67.2	175.4	0	0	0	0	0	110.8	L56 Y59 I67 V294 A295 S296	L56-A311 HydrophobicContact CD1-CB 4.46Å; Y59-A311 HydrophobicContact CE2-CB 4.16Å; Y59-A311 WeakPolarHBondContact CE2-O 3.28Å; Y59-A311 VanDerWaalsContact OH-CA 3.29Å; Y59-A311 WeakPolarHBondContact OH-CA 3.39Å; Y59-A311 PolarHBondContact OH-O 2.77Å; I67-A311 HydrophobicContact CD1-CB 3.69Å; I67-A311 HydrophobicContact CG1-CB 4.35Å; I67-A311 HydrophobicContact CG2-CB 4.47Å; V294-A311 HydrophobicContact CG2-CB 3.89Å; A295-A311 CarbonylContact O-C 3.18Å; A295-A311 PolarHBondContact O-N 2.88Å; S296-A311 WeakPolarHBondContact CA-O 3.3Å; S296-A311 VanDerWaalsContact CB-O 3.29Å; S296-A311 WeakPolarHBondContact CB-O 3.49Å; S296-A311 WeakPolarHBondContact OG-CB 3.38Å; S296-A311 PolarHBondContact OG-O 2.97Å
312	Q	98.6	Very high	98.6	Very high	28 Å²	28	22.3 Å²	22.3	13%	0.131	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	11.2	-171.3	67.5	-172.2	29	0	0	114.3	Y59 Y297 T310 W315	Y59-Q312 PolarHBondContact OH-N 3.38Å; Y297-Q312 WeakPolarHBondContact O-CB 3.33Å; T310-Q312 HydrophobicContact CG2-CG 3.95Å; Q312-W315 WeakPolarHBondContact O-CH2 3.43Å
313	E	98.8	Very high	98.6	Very high	18 Å²	18	21.2 Å²	21.2	8%	0.084	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	63.7	-175.1	-58.1	-174	-166.9	0	0	113.1	Y59 W315 S316 G317 N318 S466 A467	Y59-E313 VanDerWaalsContact CZ-C 3.5Å; Y59-E313 WeakPolarHBondContact OH-CA 3.36Å; Y59-E313 PolarHBondContact OH-N 3.05Å; E313-W315 HydrophobicContact CB-CZ2 4.08Å; E313-W315 HydrophobicContact CG-CZ2 3.91Å; E313-W315 PolarHBondContact O-N 3.26Å; E313-W315 VanDerWaalsContact O-N 3.1Å; E313-S316 VanDerWaalsContact CB-OG 3.23Å; E313-S316 WeakPolarHBondContact CB-OG 3.47Å; E313-S316 PolarHBondContact O-N 2.55Å; E313-S316 PolarHBondContact O-OG 2.85Å; E313-S316 PolarHBondContact OE2-OG 3.42Å; E313-G317 PolarHBondContact O-N 3.03Å; E313-N318 HydrophobicContact CB-CB 4.44Å; E313-S466 WeakPolarHBondContact OE1-CB 3.32Å; E313-S466 PolarHBondContact OE1-OG 3.45Å; E313-S466 WeakPolarHBondContact OE2-CA 3.4Å; E313-S466 PolarHBondContact OE2-OG 3.5Å; E313-A467 PolarHBondContact OE2-N 2.8Å
314	P	98.8	Very high	98.6	Very high	10 Å²	10	18.7 Å²	18.7	7%	0.065	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-27.4	178.3	22.8	-33.9	0	0	0	113.2	L55 N58 Y59	L55-P314 HydrophobicContact CB-CG 4.16Å; L55-P314 WeakPolarHBondContact O-CG 3.35Å; N58-P314 WeakPolarHBondContact ND2-CG 3.45Å; N58-P314 WeakPolarHBondContact OD1-CB 3.49Å; N58-P314 WeakPolarHBondContact OD1-CG 3.42Å; Y59-P314 HydrophobicContact CD2-CB 3.59Å; Y59-P314 HydrophobicContact CD2-CG 4.48Å; Y59-P314 HydrophobicContact CE2-CB 3.83Å; Y59-P314 HydrophobicContact CE2-CG 4.35Å; Y59-P314 HydrophobicContact CG-CB 4.21Å
315	W	98.7	Very high	98.7	Very high	71 Å²	71	18.1 Å²	18.1	27%	0.269	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25	177.8	53.4	81.4	0	0	0	114.1	L55 Y298 Q312 E313 A467 F469 P470	L55-W315 HydrophobicContact CD1-CZ3 4.48Å; Y298-W315 HydrophobicContact CD1-CH2 4.45Å; Y298-W315 AromaticContact CE1-CH2 3.93Å; Y298-W315 HydrophobicContact CE1-CH2 3.93Å; Y298-W315 HydrophobicContact CE1-CZ3 4.11Å; Q312-W315 WeakPolarHBondContact O-CH2 3.43Å; E313-W315 HydrophobicContact CB-CZ2 4.08Å; E313-W315 HydrophobicContact CG-CZ2 3.91Å; E313-W315 PolarHBondContact O-N 3.26Å; E313-W315 VanDerWaalsContact O-N 3.1Å; W315-A467 PolarHBondContact NE1-O 3.24Å; W315-F469 AromaticContact CD2-CD2 3.74Å; W315-F469 HydrophobicContact CD2-CD2 3.74Å; W315-F469 HydrophobicContact CD2-CE2 4.35Å; W315-F469 HydrophobicContact CD2-CG 4.44Å; W315-F469 AromaticContact CE3-CD2 3.39Å; W315-F469 HydrophobicContact CE3-CD2 3.39Å; W315-F469 AromaticContact CE3-CE2 3.68Å; W315-F469 HydrophobicContact CE3-CE2 3.68Å; W315-F469 HydrophobicContact CE3-CG 4.47Å; W315-F469 AromaticContact CH2-CD2 3.88Å; W315-F469 HydrophobicContact CH2-CD2 3.88Å; W315-F469 HydrophobicContact CZ2-CB 4.34Å; W315-F469 HydrophobicContact CZ2-CD2 4.17Å; W315-F469 AromaticContact CZ3-CD2 3.48Å; W315-F469 HydrophobicContact CZ3-CD2 3.48Å; W315-F469 VanDerWaalsContact CZ3-CD2 3.48Å; W315-F469 AromaticContact CZ3-CE2 3.87Å; W315-F469 HydrophobicContact CZ3-CE2 3.87Å; W315-P470 HydrophobicContact CB-CG 4.33Å
316	S	98.6	Very high	98.7	Very high	25 Å²	25	16.3 Å²	16.3	18%	0.175	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-28.4	176.5	75	0	0	0	0	111.9	E313 N318 P464	E313-S316 VanDerWaalsContact CB-OG 3.23Å; E313-S316 WeakPolarHBondContact CB-OG 3.47Å; E313-S316 PolarHBondContact O-N 2.55Å; E313-S316 PolarHBondContact O-OG 2.85Å; E313-S316 PolarHBondContact OE2-OG 3.42Å; S316-N318 WeakPolarHBondContact OG-CB 3.5Å; S316-N318 PolarHBondContact OG-N 2.8Å; S316-P464 VanDerWaalsContact O-CB 3.27Å; S316-P464 WeakPolarHBondContact O-CB 3.33Å; S316-P464 WeakPolarHBondContact O-CG 3.34Å
317	G	98.7	Very high	98.7	Very high	3 Å²	3	16 Å²	16	3%	0.031	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	2.1	-169.4	0	0	0	0	0	113.3	E313	E313-G317 PolarHBondContact O-N 3.03Å
318	N	98.9	Very high	98.7	Very high	27 Å²	27	16 Å²	16	14%	0.144	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.2	176.1	-177.8	-100.7	0	0	0	110.9	Y59 E313 S316 P464 S466	Y59-N318 WeakPolarHBondContact CE1-O 3.46Å; Y59-N318 PolarHBondContact OH-O 2.97Å; E313-N318 HydrophobicContact CB-CB 4.44Å; S316-N318 WeakPolarHBondContact OG-CB 3.5Å; S316-N318 PolarHBondContact OG-N 2.8Å; N318-P464 WeakPolarHBondContact CB-O 3.25Å; N318-P464 PolarHBondContact ND2-O 3.06Å; N318-S466 PolarHBondContact ND2-N 2.88Å
319	Y	98.9	Very high	98.7	Very high	10 Å²	10	16 Å²	16	4%	0.039	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	162	166	64.9	-95.4	0	0	0	108.5	Y63 Q66 I67 Y70 M309 T310 V321 P463	Y63-Y319 HydrophobicContact CD1-CE1 4.28Å; Q66-Y319 HydrophobicContact CB-CE1 4.47Å; Q66-Y319 PolarHBondContact OE1-OH 3.07Å; I67-Y319 HydrophobicContact CD1-CD1 3.97Å; I67-Y319 HydrophobicContact CD1-CG 4.04Å; I67-Y319 HydrophobicContact CG1-CD1 3.81Å; I67-Y319 HydrophobicContact CG1-CD2 4.12Å; I67-Y319 HydrophobicContact CG1-CE1 4.32Å; I67-Y319 HydrophobicContact CG1-CG 3.7Å; Y70-Y319 HydrophobicContact CD2-CE2 4.23Å; Y70-Y319 AromaticContact CE2-CE2 3.95Å; Y70-Y319 HydrophobicContact CE2-CE2 3.95Å; M309-Y319 HydrophobicContact CE-CD2 3.9Å; T310-Y319 CarbonylContact O-C 3.55Å; T310-Y319 WeakPolarHBondContact O-CA 3.48Å; T310-Y319 WeakPolarHBondContact O-CB 3.37Å; Y319-V321 HydrophobicContact CD2-CG2 4.03Å; Y319-V321 HydrophobicContact CE2-CG2 3.69Å; Y319-P463 HydrophobicContact CD1-CB 3.74Å; Y319-P463 HydrophobicContact CD1-CG 4.05Å; Y319-P463 HydrophobicContact CD2-CG 4.41Å; Y319-P463 HydrophobicContact CE1-CB 3.61Å; Y319-P463 HydrophobicContact CE1-CG 4Å; Y319-P463 HydrophobicContact CE2-CG 4.32Å; Y319-P463 HydrophobicContact CG-CB 4.42Å; Y319-P463 HydrophobicContact CG-CG 4.26Å; Y319-P463 VanDerWaalsContact O-CG 3.25Å; Y319-P463 WeakPolarHBondContact O-CG 3.49Å
320	V	98.8	Very high	98.7	Very high	54 Å²	54	16 Å²	16	33%	0.327	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.1	179.2	-169.7	0	0	0	0	109.1	M309 T310 E322	M309-V320 WeakPolarHBondContact CB-O 3.34Å; T310-V320 PolarHBondContact N-O 3.1Å; T310-V320 VanDerWaalsContact N-O 3.09Å; T310-V320 PolarHBondContact O-N 3.04Å; V320-E322 HydrophobicContact CB-CG 4.37Å; V320-E322 VanDerWaalsContact CG1-CD 3.43Å; V320-E322 HydrophobicContact CG1-CG 4.15Å; V320-E322 VanDerWaalsContact CG1-OE1 3.26Å; V320-E322 WeakPolarHBondContact CG1-OE1 3.49Å; V320-E322 PolarHBondContact O-N 2.74Å
321	V	98.6	Very high	98.7	Very high	35 Å²	35	16.2 Å²	16.2	21%	0.212	9%	0.085	C	C	.	.			trans	-85.7	93	174	-173.3	0	0	0	0	108.1	Y70 M309 Y319 I325 W326	Y70-V321 HydrophobicContact CD1-CG1 3.92Å; Y70-V321 HydrophobicContact CD1-CG2 4.18Å; Y70-V321 HydrophobicContact CD2-CG2 3.72Å; Y70-V321 HydrophobicContact CE1-CG1 4.04Å; Y70-V321 HydrophobicContact CE1-CG2 4.03Å; Y70-V321 HydrophobicContact CE2-CG2 3.54Å; Y70-V321 HydrophobicContact CG-CG1 4.33Å; Y70-V321 HydrophobicContact CG-CG2 4.04Å; M309-V321 HydrophobicContact CE-CG2 4.38Å; Y319-V321 HydrophobicContact CD2-CG2 4.03Å; Y319-V321 HydrophobicContact CE2-CG2 3.69Å; V321-I325 HydrophobicContact CG1-CB 4.03Å; V321-I325 HydrophobicContact CG1-CG1 4.08Å; V321-I325 HydrophobicContact CG1-CG2 3.87Å; V321-W326 HydrophobicContact CG1-CZ2 4.01Å
322	E	97.9	Very high	98.7	Very high	27 Å²	27	16.2 Å²	16.2	13%	0.126	9%	0.085	C	C	.	.			trans	-77.7	168.3	-172.1	-59.2	-71.1	-172.1	0	0	112.6	N264 R305 T310 V320 P324 I325	N264-E322 HydrophobicContact CB-CB 4.24Å; N264-E322 HydrophobicContact CB-CG 4.23Å; N264-E322 WeakPolarHBondContact O-CB 3.48Å; R305-E322 IonicContact CZ-OE1 2.71Å; R305-E322 IonicContact NH2-OE1 3.64Å; R305-E322 PolarHBondContact NH2-OE1 2.63Å; R305-E322 IonicContact NH2-OE2 3.46Å; T310-E322 PolarHBondContact OG1-OE1 3.11Å; V320-E322 HydrophobicContact CB-CG 4.37Å; V320-E322 VanDerWaalsContact CG1-CD 3.43Å; V320-E322 HydrophobicContact CG1-CG 4.15Å; V320-E322 VanDerWaalsContact CG1-OE1 3.26Å; V320-E322 WeakPolarHBondContact CG1-OE1 3.49Å; V320-E322 PolarHBondContact O-N 2.74Å; E322-P324 VanDerWaalsContact C-N 3.35Å; E322-I325 WeakPolarHBondContact O-CB 3.28Å; E322-I325 PolarHBondContact O-N 3.4Å
323	S	97.9	Very high	98.7	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-56.8	-35	-178.7	74.8	0	0	0	0	115.1	D265 G269 I325 W326 I327	D265-S323 PolarHBondContact O-OG 2.67Å; D265-S323 VanDerWaalsContact O-OG 3.14Å; G269-S323 WeakPolarHBondContact CA-OG 3.16Å; S323-I325 PolarHBondContact O-N 3.48Å; S323-W326 PolarHBondContact O-N 3.04Å; S323-I327 WeakPolarHBondContact O-CG1 3.46Å; S323-I327 PolarHBondContact O-N 3.05Å
324	P	98.8	Very high	98.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.1	-27	178.7	-22.6	34.1	0	0	0	114.4	Y260 N264 L308 E322 W326 I327 T328	Y260-P324 HydrophobicContact CE2-CG 4.49Å; Y260-P324 VanDerWaalsContact OH-CG 3.27Å; Y260-P324 WeakPolarHBondContact OH-CG 3.26Å; N264-P324 HydrophobicContact CB-CG 4.19Å; L308-P324 HydrophobicContact CB-CB 4.35Å; L308-P324 HydrophobicContact CD2-CB 3.77Å; E322-P324 VanDerWaalsContact C-N 3.35Å; P324-W326 VanDerWaalsContact C-N 3.32Å; P324-W326 PolarHBondContact O-N 3.47Å; P324-I327 PolarHBondContact O-N 3.19Å; P324-T328 WeakPolarHBondContact O-CB 3.3Å; P324-T328 PolarHBondContact O-N 2.88Å; P324-T328 PolarHBondContact O-OG1 3.27Å
325	I	98.9	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59	-47	173.2	-68	-62.8	0	0	0	110.7	L71 A78 L308 M309 V321 E322 S323 T328 A329	L71-I325 HydrophobicContact CD2-CD1 3.91Å; A78-I325 HydrophobicContact CB-CD1 3.84Å; A78-I325 HydrophobicContact CB-CG2 4.25Å; L308-I325 HydrophobicContact CB-CD1 3.99Å; L308-I325 WeakPolarHBondContact O-CG1 3.31Å; M309-I325 HydrophobicContact CB-CD1 3.92Å; M309-I325 HydrophobicContact CB-CG1 3.76Å; M309-I325 HydrophobicContact CG-CD1 4.03Å; M309-I325 HydrophobicContact CG-CG1 4.38Å; M309-I325 HydrophobicContact SD-CD1 4Å; M309-I325 HydrophobicContact SD-CG1 4.42Å; V321-I325 HydrophobicContact CG1-CB 4.03Å; V321-I325 HydrophobicContact CG1-CG1 4.08Å; V321-I325 HydrophobicContact CG1-CG2 3.87Å; E322-I325 WeakPolarHBondContact O-CB 3.28Å; E322-I325 PolarHBondContact O-N 3.4Å; S323-I325 PolarHBondContact O-N 3.48Å; I325-T328 WeakPolarHBondContact O-CB 3.08Å; I325-T328 PolarHBondContact O-N 3.28Å; I325-A329 PolarHBondContact O-N 2.83Å; I325-A329 VanDerWaalsContact O-N 3.1Å
326	W	98.8	Very high	98.7	Very high	14 Å²	14	14.4 Å²	14.4	5%	0.053	8%	0.078	C	C	.	.	H	α-helix	trans	-76.6	-33.3	-176.5	-63.8	117.1	0	0	0	112.2	Y70 F76 V321 S323 P324 T328 A329 H330 L423 F424 K457 G458	Y70-W326 HydrophobicContact CD1-CH2 4.4Å; Y70-W326 HydrophobicContact CD1-CZ2 4.47Å; Y70-W326 HydrophobicContact CE1-CH2 4.04Å; Y70-W326 AromaticContact CE1-CZ2 3.99Å; Y70-W326 HydrophobicContact CE1-CZ2 3.99Å; F76-W326 WeakPolarHBondContact O-CZ3 3.5Å; V321-W326 HydrophobicContact CG1-CZ2 4.01Å; S323-W326 PolarHBondContact O-N 3.04Å; P324-W326 VanDerWaalsContact C-N 3.32Å; P324-W326 PolarHBondContact O-N 3.47Å; W326-T328 VanDerWaalsContact C-N 3.33Å; W326-A329 HydrophobicContact CE3-CB 4.39Å; W326-A329 WeakPolarHBondContact O-CB 3.32Å; W326-A329 PolarHBondContact O-N 2.99Å; W326-H330 PolarHBondContact O-CD2 2.77Å; W326-H330 VanDerWaalsContact O-CD2 3.27Å; W326-H330 PolarHBondContact O-N 2.79Å; W326-L423 HydrophobicContact CB-CB 3.95Å; W326-L423 HydrophobicContact CG-CB 3.92Å; W326-F424 HydrophobicContact CB-CB 4.07Å; W326-F424 HydrophobicContact CD2-CB 4.1Å; W326-F424 HydrophobicContact CE3-CB 3.71Å; W326-F424 AromaticContact CE3-CD1 3.83Å; W326-F424 HydrophobicContact CE3-CD1 3.83Å; W326-F424 AromaticContact CE3-CG 3.93Å; W326-F424 HydrophobicContact CE3-CG 3.93Å; W326-F424 HydrophobicContact CG-CB 4.26Å; W326-F424 HydrophobicContact CZ3-CD1 4.08Å; W326-K457 HydrophobicContact CD2-CG 4.46Å; W326-K457 HydrophobicContact CE3-CG 4Å; W326-K457 HydrophobicContact CH2-CG 3.51Å; W326-K457 HydrophobicContact CZ2-CG 3.97Å; W326-K457 HydrophobicContact CZ3-CB 4.3Å; W326-K457 HydrophobicContact CZ3-CG 3.52Å; W326-G458 VanDerWaalsContact CH2-O 3.27Å; W326-G458 WeakPolarHBondContact CH2-O 3.46Å
327	I	98.9	Very high	98.7	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.015	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-40.9	169.8	-66.8	-46.1	0	0	0	111.6	W272 A273 L276 S323 P324 A329 H330 F414 V446	W272-I327 HydrophobicContact CB-CG2 4.27Å; W272-I327 HydrophobicContact CG-CG2 4.21Å; A273-I327 VanDerWaalsContact CA-CG2 3.41Å; A273-I327 HydrophobicContact CB-CD1 4.23Å; A273-I327 HydrophobicContact CB-CG1 4.36Å; A273-I327 HydrophobicContact CB-CG2 3.61Å; L276-I327 HydrophobicContact CD1-CG2 4.25Å; S323-I327 WeakPolarHBondContact O-CG1 3.46Å; S323-I327 PolarHBondContact O-N 3.05Å; P324-I327 PolarHBondContact O-N 3.19Å; I327-A329 VanDerWaalsContact C-N 3.3Å; I327-A329 PolarHBondContact O-N 3.13Å; I327-H330 WeakPolarHBondContact O-CB 3.14Å; I327-H330 PolarHBondContact O-N 3.23Å; I327-F414 HydrophobicContact CD1-CE2 3.89Å; I327-F414 HydrophobicContact CD1-CZ 3.67Å; I327-F414 HydrophobicContact CG1-CE2 4.45Å; I327-F414 HydrophobicContact CG1-CZ 3.83Å; I327-V446 HydrophobicContact CD1-CB 4.34Å; I327-V446 HydrophobicContact CD1-CG2 3.85Å
328	T	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-42.7	174.4	-56	0	0	0	0	111.1	I43 A78 L80 W272 P324 I325 W326 H330 S331 T332	I43-T328 HydrophobicContact CG2-CG2 4Å; A78-T328 HydrophobicContact CB-CG2 3.95Å; A78-T328 WeakPolarHBondContact O-CG2 3.34Å; L80-T328 HydrophobicContact CD2-CG2 3.75Å; W272-T328 PolarHBondContact NE1-OG1 3.34Å; P324-T328 WeakPolarHBondContact O-CB 3.3Å; P324-T328 PolarHBondContact O-N 2.88Å; P324-T328 PolarHBondContact O-OG1 3.27Å; I325-T328 WeakPolarHBondContact O-CB 3.08Å; I325-T328 PolarHBondContact O-N 3.28Å; W326-T328 VanDerWaalsContact C-N 3.33Å; T328-H330 PolarHBondContact O-N 2.74Å; T328-S331 PolarHBondContact O-N 3.45Å; T328-S331 VanDerWaalsContact O-N 3.07Å; T328-T332 HydrophobicContact CG2-CG2 3.66Å; T328-T332 PolarHBondContact O-N 2.92Å; T328-T332 PolarHBondContact O-OG1 2.8Å; T328-T332 VanDerWaalsContact O-OG1 3.04Å
329	A	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-28.1	-179.7	0	0	0	0	0	114.1	G77 I325 W326 I327 S331 T332 Q333 F424	G77-A329 WeakPolarHBondContact O-CB 3.39Å; I325-A329 PolarHBondContact O-N 2.83Å; I325-A329 VanDerWaalsContact O-N 3.1Å; W326-A329 HydrophobicContact CE3-CB 4.39Å; W326-A329 WeakPolarHBondContact O-CB 3.32Å; W326-A329 PolarHBondContact O-N 2.99Å; I327-A329 VanDerWaalsContact C-N 3.3Å; I327-A329 PolarHBondContact O-N 3.13Å; A329-S331 PolarHBondContact O-N 3.34Å; A329-T332 WeakPolarHBondContact CA-OG1 3.4Å; A329-Q333 HydrophobicContact CB-CG 4.16Å; A329-Q333 PolarHBondContact O-N 3.14Å; A329-F424 HydrophobicContact CB-CD1 4.35Å; A329-F424 HydrophobicContact CB-CD2 4.04Å; A329-F424 HydrophobicContact CB-CE1 4.01Å; A329-F424 HydrophobicContact CB-CE2 3.68Å; A329-F424 HydrophobicContact CB-CG 4.37Å; A329-F424 HydrophobicContact CB-CZ 3.65Å
330	H	98.9	Very high	98.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-25.3	175.2	-88	-82.6	0	0	0	113.4	W326 I327 T328 F334 V367 S412 F424 V446 T448	W326-H330 PolarHBondContact O-CD2 2.77Å; W326-H330 VanDerWaalsContact O-CD2 3.27Å; W326-H330 PolarHBondContact O-N 2.79Å; I327-H330 WeakPolarHBondContact O-CB 3.14Å; I327-H330 PolarHBondContact O-N 3.23Å; T328-H330 PolarHBondContact O-N 2.74Å; H330-F334 WeakPolarHBondContact O-CD2 3.29Å; H330-V367 HydrophobicContact CB-CG1 4.49Å; H330-V367 WeakPolarHBondContact O-CG2 3Å; H330-S412 PolarHBondContact CD2-OG 3.03Å; H330-S412 WeakPolarHBondContact NE2-CB 3.15Å; H330-S412 PolarHBondContact NE2-N 3.3Å; H330-S412 PolarHBondContact NE2-OG 2.82Å; H330-F424 AromaticContact CD2-CD2 3.74Å; H330-F424 AromaticContact NE2-CD2 3.74Å; H330-V446 HydrophobicContact CB-CG1 4.01Å; H330-V446 PolarHBondContact CE1-O 2.88Å; H330-T448 WeakPolarHBondContact CA-OG1 3.41Å; H330-T448 WeakPolarHBondContact CB-OG1 3.34Å; H330-T448 PolarHBondContact ND1-OG1 3.34Å; H330-T448 WeakPolarHBondContact O-CG2 3.41Å; H330-T448 PolarHBondContact O-OG1 3.23Å
331	S	98.8	Very high	98.7	Very high	11 Å²	11	16.7 Å²	16.7	8%	0.077	10%	0.101	C	C	.	.	H	α-helix	trans	-106.3	-49.9	176	-65.2	0	0	0	0	111.6	T328 A329 Q333 F334 T335	T328-S331 PolarHBondContact O-N 3.45Å; T328-S331 VanDerWaalsContact O-N 3.07Å; A329-S331 PolarHBondContact O-N 3.34Å; S331-Q333 PolarHBondContact O-N 3.02Å; S331-F334 PolarHBondContact O-N 3.38Å; S331-T335 WeakPolarHBondContact O-CB 3.41Å; S331-T335 PolarHBondContact O-N 2.82Å; S331-T335 VanDerWaalsContact O-N 3.07Å; S331-T335 PolarHBondContact O-OG1 3.49Å
332	T	98.9	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-71.6	-30.5	-167.6	55.2	0	0	0	0	114.8	I43 A78 S79 H81 T328 A329 F334 T335 Q336	I43-T332 HydrophobicContact CB-CG2 3.89Å; I43-T332 HydrophobicContact CD1-CG2 4.17Å; I43-T332 HydrophobicContact CG2-CG2 4.35Å; A78-T332 VanDerWaalsContact O-CB 3.27Å; A78-T332 WeakPolarHBondContact O-CB 3.41Å; A78-T332 PolarHBondContact O-OG1 2.86Å; S79-T332 WeakPolarHBondContact O-CB 3.33Å; H81-T332 WeakPolarHBondContact NE2-CA 3.39Å; H81-T332 PolarHBondContact NE2-O 3.26Å; H81-T332 VanDerWaalsContact NE2-O 3.1Å; T328-T332 HydrophobicContact CG2-CG2 3.66Å; T328-T332 PolarHBondContact O-N 2.92Å; T328-T332 PolarHBondContact O-OG1 2.8Å; T328-T332 VanDerWaalsContact O-OG1 3.04Å; A329-T332 WeakPolarHBondContact CA-OG1 3.4Å; T332-F334 PolarHBondContact O-N 2.98Å; T332-T335 VanDerWaalsContact O-O 3.14Å; T332-Q336 PolarHBondContact O-NE2 3.01Å
333	Q	98.9	Very high	98.7	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.033	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-13	176.7	-64	-162.2	17.3	0	0	113.2	F76 G77 A329 S331 F424 Q456	F76-Q333 PolarHBondContact O-NE2 2.84Å; G77-Q333 PolarHBondContact O-NE2 2.92Å; G77-Q333 VanDerWaalsContact O-NE2 3.1Å; A329-Q333 HydrophobicContact CB-CG 4.16Å; A329-Q333 PolarHBondContact O-N 3.14Å; S331-Q333 PolarHBondContact O-N 3.02Å; Q333-F424 HydrophobicContact CB-CZ 4.47Å; Q333-F424 HydrophobicContact CG-CZ 4.33Å; Q333-Q456 PolarHBondContact NE2-O 3.19Å; Q333-Q456 PolarHBondContact OE1-O 2.9Å; Q333-Q456 VanDerWaalsContact OE1-O 3.1Å
334	F	98.9	Very high	98.7	Very high	3 Å²	3	20.3 Å²	20.3	1%	0.013	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	5.1	-169.3	-50.2	-69.1	0	0	0	113.9	H330 S331 T332 W339 T365 W410 F424 T448 T450 I452	H330-F334 WeakPolarHBondContact O-CD2 3.29Å; S331-F334 PolarHBondContact O-N 3.38Å; T332-F334 PolarHBondContact O-N 2.98Å; F334-W339 WeakPolarHBondContact O-CH2 3.42Å; F334-W339 WeakPolarHBondContact O-CZ3 3.46Å; F334-T365 HydrophobicContact CB-CG2 3.63Å; F334-T365 WeakPolarHBondContact O-CB 3.42Å; F334-T365 PolarHBondContact O-OG1 2.84Å; F334-W410 AromaticContact CE1-CD1 3.88Å; F334-W410 AromaticContact CE1-NE1 3.55Å; F334-W410 HydrophobicContact CE2-CG 4.19Å; F334-W410 AromaticContact CZ-CD1 3.34Å; F334-W410 AromaticContact CZ-CD2 3.91Å; F334-W410 HydrophobicContact CZ-CD2 3.91Å; F334-W410 AromaticContact CZ-CE2 3.68Å; F334-W410 AromaticContact CZ-CG 3.73Å; F334-W410 HydrophobicContact CZ-CG 3.73Å; F334-W410 HydrophobicContact CZ-CZ2 4.44Å; F334-W410 AromaticContact CZ-NE1 3.29Å; F334-W410 VanDerWaalsContact CZ-NE1 3.29Å; F334-F424 AromaticContact CE2-CE2 3.79Å; F334-F424 HydrophobicContact CE2-CE2 3.79Å; F334-F424 AromaticContact CE2-CZ 3.58Å; F334-F424 HydrophobicContact CE2-CZ 3.58Å; F334-F424 HydrophobicContact CZ-CE2 4.31Å; F334-F424 AromaticContact CZ-CZ 3.76Å; F334-F424 HydrophobicContact CZ-CZ 3.76Å; F334-T448 HydrophobicContact CB-CG2 4.22Å; F334-T448 HydrophobicContact CD2-CG2 3.52Å; F334-T448 HydrophobicContact CE2-CG2 4.02Å; F334-T448 HydrophobicContact CG-CG2 3.96Å; F334-T450 HydrophobicContact CB-CG2 4.34Å; F334-T450 HydrophobicContact CD1-CG2 3.44Å; F334-T450 VanDerWaalsContact CD1-CG2 3.44Å; F334-T450 HydrophobicContact CE1-CG2 3.84Å; F334-T450 HydrophobicContact CG-CG2 3.94Å; F334-I452 HydrophobicContact CD1-CB 4.15Å; F334-I452 HydrophobicContact CD1-CG2 4.15Å
335	T	98.8	Very high	98.7	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	13%	0.127	C	C	.	.			trans	-139.3	160.3	175.2	62	0	0	0	0	108.5	F40 H81 S331 T332 W339 L357 T365	F40-T335 WeakPolarHBondContact CE1-OG1 3.46Å; H81-T335 PolarHBondContact CE1-O 3.03Å; H81-T335 PolarHBondContact NE2-O 2.92Å; H81-T335 VanDerWaalsContact NE2-O 3.17Å; S331-T335 WeakPolarHBondContact O-CB 3.41Å; S331-T335 PolarHBondContact O-N 2.82Å; S331-T335 VanDerWaalsContact O-N 3.07Å; S331-T335 PolarHBondContact O-OG1 3.49Å; T332-T335 VanDerWaalsContact O-O 3.14Å; T335-W339 HydrophobicContact CG2-CE3 4.35Å; T335-L357 HydrophobicContact CG2-CB 4.28Å; T335-L357 HydrophobicContact CG2-CD1 4.03Å; T335-L357 HydrophobicContact CG2-CD2 4.04Å; T335-L357 HydrophobicContact CG2-CG 4.35Å; T335-T365 HydrophobicContact CG2-CG2 3.99Å
336	Q	98.7	Very high	98.7	Very high	77 Å²	77	22.5 Å²	22.5	36%	0.36	13%	0.132	S	C	.	.			trans	-139.9	152.1	171.9	-70	-64.5	-56	0	0	109.5	H81 T332 G338 W339	H81-Q336 PolarHBondContact NE2-NE2 3.2Å; T332-Q336 PolarHBondContact O-NE2 3.01Å; Q336-G338 PolarHBondContact O-N 3.07Å; Q336-W339 VanDerWaalsContact O-CB 3.3Å; Q336-W339 WeakPolarHBondContact O-CB 3.49Å; Q336-W339 PolarHBondContact O-N 2.85Å
337	P	98.8	Very high	98.7	Very high	51 Å²	51	25.9 Å²	25.9	33%	0.331	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	133.4	169	-26.9	36.1	0	0	0	111.2	F40 D41 H81	F40-P337 WeakPolarHBondContact O-CA 3.39Å; D41-P337 WeakPolarHBondContact O-CB 3.41Å; D41-P337 WeakPolarHBondContact O-CG 3.37Å; H81-P337 HydrophobicContact CB-CG 3.79Å
338	G	98.6	Very high	98.7	Very high	54 Å²	54	26.2 Å²	26.2	56%	0.557	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.7	-14.3	-173.5	0	0	0	0	0	114.8	F40 Q336	F40-G338 PolarHBondContact O-N 3.34Å; Q336-G338 PolarHBondContact O-N 3.07Å
339	W	98.8	Very high	98.5	Very high	25 Å²	25	29.1 Å²	29.1	10%	0.095	17%	0.174	C	C	.	.			trans	-62.7	159.7	164.8	-75.7	43.5	0	0	0	110.1	V39 F40 F334 T335 Q336 L357 T358 D359 N363 I452	V39-W339 CarbonylContact C-O 3.54Å; V39-W339 WeakPolarHBondContact CA-O 3.43Å; F40-W339 PolarHBondContact N-O 2.88Å; F334-W339 WeakPolarHBondContact O-CH2 3.42Å; F334-W339 WeakPolarHBondContact O-CZ3 3.46Å; T335-W339 HydrophobicContact CG2-CE3 4.35Å; Q336-W339 VanDerWaalsContact O-CB 3.3Å; Q336-W339 WeakPolarHBondContact O-CB 3.49Å; Q336-W339 PolarHBondContact O-N 2.85Å; W339-L357 HydrophobicContact CE3-CB 3.97Å; W339-T358 WeakPolarHBondContact CA-O 3.18Å; W339-D359 HydrophobicContact CD2-CB 3.92Å; W339-D359 HydrophobicContact CE3-CB 4.47Å; W339-D359 HydrophobicContact CG-CB 4.3Å; W339-D359 HydrophobicContact CH2-CB 4.39Å; W339-D359 HydrophobicContact CZ2-CB 3.82Å; W339-N363 HydrophobicContact CH2-CB 3.87Å; W339-N363 HydrophobicContact CZ2-CB 4.48Å; W339-I452 HydrophobicContact CH2-CD1 4.11Å; W339-I452 HydrophobicContact CH2-CG1 4.06Å; W339-I452 HydrophobicContact CZ2-CD1 4.34Å
340	T	98.8	Very high	98.4	Very high	26 Å²	26	34 Å²	34	16%	0.16	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.3	179.7	-47.1	0	0	0	0	110.2	L36 G37 R38 L357 T358	L36-T340 HydrophobicContact CB-CG2 3.58Å; L36-T340 HydrophobicContact CD1-CG2 4.14Å; L36-T340 HydrophobicContact CG-CG2 4.42Å; G37-T340 WeakPolarHBondContact O-CG2 3.19Å; R38-T340 WeakPolarHBondContact O-CG2 3.27Å; T340-L357 WeakPolarHBondContact O-CA 3.4Å; T340-T358 PolarHBondContact N-O 3.21Å; T340-T358 PolarHBondContact O-N 3.4Å
341	Y	98.9	Very high	98.3	Very high	12 Å²	12	34.8 Å²	34.8	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	149.8	170.6	-74.6	-84.5	0	0	0	110.8	G37 R38 F40 Y280 V355 A356 L357	G37-Y341 WeakPolarHBondContact CA-O 3.05Å; G37-Y341 PolarHBondContact N-O 3.03Å; R38-Y341 WeakPolarHBondContact O-CD2 3.46Å; R38-Y341 PolarHBondContact O-N 3.34Å; F40-Y341 HydrophobicContact CB-CD2 4.16Å; F40-Y341 HydrophobicContact CB-CE2 3.76Å; F40-Y341 AromaticContact CD2-CE2 3.79Å; F40-Y341 HydrophobicContact CD2-CE2 3.79Å; F40-Y341 AromaticContact CD2-CZ 3.86Å; F40-Y341 WeakPolarHBondContact CD2-OH 3.14Å; F40-Y341 HydrophobicContact CG-CE2 4.23Å; Y280-Y341 AromaticContact CD1-CD1 3.43Å; Y280-Y341 HydrophobicContact CD1-CD1 3.43Å; Y280-Y341 VanDerWaalsContact CD1-CD1 3.43Å; Y280-Y341 AromaticContact CD1-CD2 4Å; Y280-Y341 HydrophobicContact CD1-CD2 4Å; Y280-Y341 AromaticContact CD1-CE1 3.64Å; Y280-Y341 HydrophobicContact CD1-CE1 3.64Å; Y280-Y341 HydrophobicContact CD1-CE2 4.18Å; Y280-Y341 AromaticContact CD1-CG 3.62Å; Y280-Y341 HydrophobicContact CD1-CG 3.62Å; Y280-Y341 AromaticContact CD2-CD2 3.7Å; Y280-Y341 HydrophobicContact CD2-CD2 3.7Å; Y280-Y341 AromaticContact CD2-CE2 3.63Å; Y280-Y341 HydrophobicContact CD2-CE2 3.63Å; Y280-Y341 HydrophobicContact CD2-CG 4.18Å; Y280-Y341 AromaticContact CE1-CD1 3.51Å; Y280-Y341 HydrophobicContact CE1-CD1 3.51Å; Y280-Y341 AromaticContact CE1-CD2 3.81Å; Y280-Y341 HydrophobicContact CE1-CD2 3.81Å; Y280-Y341 HydrophobicContact CE1-CE1 4.19Å; Y280-Y341 HydrophobicContact CE1-CE2 4.45Å; Y280-Y341 AromaticContact CE1-CG 3.29Å; Y280-Y341 HydrophobicContact CE1-CG 3.29Å; Y280-Y341 AromaticContact CE2-CD2 3.51Å; Y280-Y341 HydrophobicContact CE2-CD2 3.51Å; Y280-Y341 AromaticContact CE2-CE2 3.95Å; Y280-Y341 HydrophobicContact CE2-CE2 3.95Å; Y280-Y341 AromaticContact CE2-CG 3.91Å; Y280-Y341 HydrophobicContact CE2-CG 3.91Å; Y280-Y341 AromaticContact CG-CD1 4Å; Y280-Y341 HydrophobicContact CG-CD1 4Å; Y280-Y341 AromaticContact CG-CD2 3.94Å; Y280-Y341 HydrophobicContact CG-CD2 3.94Å; Y280-Y341 AromaticContact CG-CE1 3.82Å; Y280-Y341 HydrophobicContact CG-CE1 3.82Å; Y280-Y341 AromaticContact CG-CE2 3.76Å; Y280-Y341 HydrophobicContact CG-CE2 3.76Å; Y280-Y341 HydrophobicContact CG-CG 4.05Å; Y280-Y341 AromaticContact CG-CZ 3.7Å; Y280-Y341 AromaticContact CZ-CD2 3.56Å; Y280-Y341 AromaticContact CZ-CG 3.44Å; Y280-Y341 VanDerWaalsContact CZ-CG 3.44Å; Y280-Y341 WeakPolarHBondContact OH-CB 3.42Å; Y341-V355 HydrophobicContact CD1-CB 4.17Å; Y341-V355 HydrophobicContact CE1-CB 3.88Å; Y341-V355 HydrophobicContact CE1-CG1 4.15Å; Y341-V355 HydrophobicContact CE1-CG2 4.21Å; Y341-A356 CarbonylContact C-O 3.27Å; Y341-A356 WeakPolarHBondContact CA-O 3.42Å; Y341-L357 HydrophobicContact CD1-CD1 3.92Å; Y341-L357 HydrophobicContact CD1-CD2 3.87Å; Y341-L357 HydrophobicContact CD1-CG 3.58Å; Y341-L357 HydrophobicContact CD2-CD2 4.22Å; Y341-L357 HydrophobicContact CE1-CD1 3.75Å; Y341-L357 HydrophobicContact CE1-CD2 3.75Å; Y341-L357 HydrophobicContact CE1-CG 3.77Å; Y341-L357 HydrophobicContact CE2-CD2 4.1Å; Y341-L357 HydrophobicContact CG-CD2 4.11Å; Y341-L357 HydrophobicContact CG-CG 4.08Å
342	L	98.8	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	160.7	165	-56	-169.7	0	0	0	110.3	L30 L36 T344 A356 T358 L364 F401	L30-L342 HydrophobicContact CB-CD1 4.5Å; L36-L342 HydrophobicContact CD2-CD2 3.57Å; L342-T344 VanDerWaalsContact C-N 3.28Å; L342-A356 HydrophobicContact CB-CB 4.31Å; L342-A356 HydrophobicContact CD1-CB 3.73Å; L342-A356 HydrophobicContact CG-CB 3.94Å; L342-A356 PolarHBondContact N-O 2.75Å; L342-T358 HydrophobicContact CD2-CG2 4Å; L342-L364 HydrophobicContact CD1-CD1 4.09Å; L342-F401 HydrophobicContact CD1-CD2 4.36Å; L342-F401 HydrophobicContact CD1-CE2 3.7Å; L342-F401 HydrophobicContact CD1-CZ 4.34Å; L342-F401 HydrophobicContact CD2-CE2 3.71Å; L342-F401 HydrophobicContact CD2-CZ 3.81Å; L342-F401 HydrophobicContact CG-CE2 4.38Å
343	Q	97.9	Very high	98.3	Very high	112 Å²	112	34.4 Å²	34.4	52%	0.523	20%	0.203	S	C	.	.	S	Bend	trans	-75.2	-22.9	170	-65.7	-178.7	2	0	0	111.9	G34 L36 V345	G34-Q343 PolarHBondContact O-NE2 3.04Å; L36-Q343 PolarHBondContact O-NE2 2.03Å; Q343-V345 VanDerWaalsContact C-N 3.3Å; Q343-V345 PolarHBondContact O-N 3.38Å; Q343-V345 VanDerWaalsContact O-N 3.14Å
344	T	97.6	Very high	98.3	Very high	29 Å²	29	34.8 Å²	34.8	18%	0.178	20%	0.204	C	C	.	.			trans	-88.5	62.4	180	59.1	0	0	0	0	111.8	P29 T31 L342 Y354	P29-T344 HydrophobicContact CG-CG2 4.26Å; P29-T344 WeakPolarHBondContact O-CB 3.25Å; P29-T344 PolarHBondContact O-OG1 3.49Å; P29-T344 VanDerWaalsContact O-OG1 3.07Å; T31-T344 HydrophobicContact CG2-CG2 3.79Å; T31-T344 PolarHBondContact N-OG1 3.24Å; L342-T344 VanDerWaalsContact C-N 3.28Å; T344-Y354 WeakPolarHBondContact O-CE2 3.42Å
345	V	98.5	Very high	98.3	Very high	33 Å²	33	34.8 Å²	34.8	20%	0.2	21%	0.205	C	C	.	.			trans	-111.7	160.9	169.4	-59.6	0	0	0	0	109.2	Y280 V281 Q343 V355	Y280-V345 HydrophobicContact CD1-CG2 4.06Å; Y280-V345 HydrophobicContact CE1-CG1 4.47Å; Y280-V345 HydrophobicContact CE1-CG2 3.8Å; V281-V345 HydrophobicContact CG2-CB 4.48Å; V281-V345 HydrophobicContact CG2-CG2 4.41Å; Q343-V345 VanDerWaalsContact C-N 3.3Å; Q343-V345 PolarHBondContact O-N 3.38Å; Q343-V345 VanDerWaalsContact O-N 3.14Å; V345-V355 HydrophobicContact CB-CG1 4.45Å; V345-V355 HydrophobicContact CG1-CB 4.2Å; V345-V355 HydrophobicContact CG1-CG1 4.45Å
346	G	98.4	Very high	98.3	Very high	12 Å²	12	34.7 Å²	34.7	12%	0.124	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-167.5	178.4	0	0	0	0	0	116.1	S353 Y354	G346-S353 CarbonylContact O-C 3.54Å; G346-S353 WeakPolarHBondContact O-CA 3.48Å; G346-Y354 PolarHBondContact N-O 3.32Å; G346-Y354 VanDerWaalsContact N-O 3.09Å; G346-Y354 VanDerWaalsContact O-CD1 3.28Å; G346-Y354 WeakPolarHBondContact O-CD1 3.41Å; G346-Y354 PolarHBondContact O-N 2.64Å
347	H	98.6	Very high	98.3	Very high	85 Å²	85	31.2 Å²	31.2	39%	0.394	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	153.5	175.1	-70.9	-79.7	0	0	0	112.1	N282 G352	N282-H347 PolarHBondContact OD1-NE2 2.93Å; H347-G352 WeakPolarHBondContact CA-O 3.13Å; H347-G352 PolarHBondContact ND1-O 3.46Å
348	F	98.4	Very high	98.3	Very high	11 Å²	11	29 Å²	29	5%	0.048	17%	0.174	C	C	.	.			trans	-84.6	157.3	169.2	-58	-65.9	0	0	0	112.2	Y28 Q350 G351 G352 S353 Y354 I368 T370 A393 F395 L441	Y28-F348 HydrophobicContact CD2-CD1 4.35Å; Y28-F348 HydrophobicContact CD2-CE1 4.37Å; Y28-F348 AromaticContact CE1-CD1 3.95Å; Y28-F348 HydrophobicContact CE1-CD1 3.95Å; Y28-F348 AromaticContact CE2-CD1 3.76Å; Y28-F348 HydrophobicContact CE2-CD1 3.76Å; Y28-F348 HydrophobicContact CE2-CE1 4.18Å; Y28-F348 AromaticContact CZ-CD1 3.54Å; F348-Q350 VanDerWaalsContact C-N 3.29Å; F348-Q350 PolarHBondContact O-N 2.85Å; F348-G351 WeakPolarHBondContact CB-O 3.4Å; F348-G351 PolarHBondContact O-N 3.43Å; F348-G352 PolarHBondContact N-O 3.28Å; F348-G352 VanDerWaalsContact N-O 3.09Å; F348-S353 WeakPolarHBondContact CE2-O 3.43Å; F348-Y354 HydrophobicContact CD1-CD1 4.11Å; F348-Y354 AromaticContact CE1-CD1 3.57Å; F348-Y354 HydrophobicContact CE1-CD1 3.57Å; F348-Y354 HydrophobicContact CE1-CE1 4.28Å; F348-Y354 HydrophobicContact CE1-CG 4.18Å; F348-Y354 AromaticContact CZ-CD1 3.82Å; F348-Y354 HydrophobicContact CZ-CD1 3.82Å; F348-Y354 HydrophobicContact CZ-CG 4.11Å; F348-I368 HydrophobicContact CE2-CG2 3.68Å; F348-I368 HydrophobicContact CZ-CG1 4.34Å; F348-I368 HydrophobicContact CZ-CG2 3.68Å; F348-T370 HydrophobicContact CD2-CG2 4.49Å; F348-T370 HydrophobicContact CE2-CG2 4.5Å; F348-A393 HydrophobicContact CD1-CB 4.34Å; F348-A393 HydrophobicContact CE1-CB 4.05Å; F348-F395 HydrophobicContact CE1-CE1 4.44Å; F348-F395 AromaticContact CE1-CZ 3.74Å; F348-F395 HydrophobicContact CE1-CZ 3.74Å; F348-F395 AromaticContact CZ-CZ 3.98Å; F348-F395 HydrophobicContact CZ-CZ 3.98Å; F348-L441 HydrophobicContact CD2-CD1 4.29Å; F348-L441 HydrophobicContact CE1-CD1 4.16Å; F348-L441 HydrophobicContact CE2-CD1 3.87Å; F348-L441 HydrophobicContact CZ-CD1 3.77Å
349	A	95	Very high	98.3	Very high	60 Å²	60	28.4 Å²	28.4	50%	0.496	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.2	179.7	0	0	0	0	0	113.8	Q26 Y28	Q26-A349 HydrophobicContact CG-CB 3.98Å; Y28-A349 PolarHBondContact OH-N 3.23Å
350	Q	97.3	Very high	98.2	Very high	103 Å²	103	30 Å²	30	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	29	180	-52.4	-66.5	-9.8	0	0	113.1	F348 V388 T389 Q391	F348-Q350 VanDerWaalsContact C-N 3.29Å; F348-Q350 PolarHBondContact O-N 2.85Å; Q350-V388 VanDerWaalsContact O-CA 3.31Å; Q350-V388 WeakPolarHBondContact O-CA 3.02Å; Q350-T389 PolarHBondContact O-N 3.15Å; Q350-Q391 HydrophobicContact CB-CB 4.01Å; Q350-Q391 HydrophobicContact CB-CG 4.3Å; Q350-Q391 HydrophobicContact CG-CB 3.98Å
351	G	97.5	Very high	98.1	Very high	17 Å²	17	35.2 Å²	35.2	18%	0.175	21%	0.209	C	C	.	.	S	Bend	trans	91.9	158.2	177.8	0	0	0	0	0	114.1	F348 Q391	F348-G351 WeakPolarHBondContact CB-O 3.4Å; F348-G351 PolarHBondContact O-N 3.43Å; G351-Q391 PolarHBondContact O-NE2 2.76Å
352	G	98.6	Very high	98	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	23%	0.229	C	C	.	.			trans	89	179.7	-168.7	0	0	0	0	0	113.6	H347 F348 E369	H347-G352 WeakPolarHBondContact CA-O 3.13Å; H347-G352 PolarHBondContact ND1-O 3.46Å; F348-G352 PolarHBondContact N-O 3.28Å; F348-G352 VanDerWaalsContact N-O 3.09Å; G352-E369 CarbonylContact C-O 3.59Å; G352-E369 WeakPolarHBondContact CA-O 3.33Å
353	S	98.9	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	163.1	-177.6	70.4	0	0	0	0	113.4	N277 G346 F348 E369	N277-S353 VanDerWaalsContact CB-OG 3.3Å; N277-S353 WeakPolarHBondContact CB-OG 3.09Å; N277-S353 PolarHBondContact ND2-O 2.75Å; G346-S353 CarbonylContact O-C 3.54Å; G346-S353 WeakPolarHBondContact O-CA 3.48Å; F348-S353 WeakPolarHBondContact CE2-O 3.43Å; S353-E369 WeakPolarHBondContact CB-OE1 3.42Å; S353-E369 PolarHBondContact N-O 3.49Å; S353-E369 PolarHBondContact N-OE1 3.17Å; S353-E369 PolarHBondContact O-N 3.3Å; S353-E369 WeakPolarHBondContact OG-CG 3.43Å; S353-E369 PolarHBondContact OG-OE1 2.9Å
354	Y	98.9	Very high	98	Very high	14 Å²	14	33.7 Å²	33.7	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.3	171.5	70.9	-76.2	0	0	0	111.9	Y28 L30 T344 G346 F348 V367 F395	Y28-Y354 AromaticContact CD1-CE1 3.63Å; Y28-Y354 HydrophobicContact CD1-CE1 3.63Å; Y28-Y354 AromaticContact CD1-CZ 3.92Å; Y28-Y354 HydrophobicContact CE1-CE1 4.22Å; Y28-Y354 HydrophobicContact CG-CE1 4.19Å; L30-Y354 HydrophobicContact CD2-CD2 4.37Å; L30-Y354 HydrophobicContact CD2-CE2 4.03Å; T344-Y354 WeakPolarHBondContact O-CE2 3.42Å; G346-Y354 PolarHBondContact N-O 3.32Å; G346-Y354 VanDerWaalsContact N-O 3.09Å; G346-Y354 VanDerWaalsContact O-CD1 3.28Å; G346-Y354 WeakPolarHBondContact O-CD1 3.41Å; G346-Y354 PolarHBondContact O-N 2.64Å; F348-Y354 HydrophobicContact CD1-CD1 4.11Å; F348-Y354 AromaticContact CE1-CD1 3.57Å; F348-Y354 HydrophobicContact CE1-CD1 3.57Å; F348-Y354 HydrophobicContact CE1-CE1 4.28Å; F348-Y354 HydrophobicContact CE1-CG 4.18Å; F348-Y354 AromaticContact CZ-CD1 3.82Å; F348-Y354 HydrophobicContact CZ-CD1 3.82Å; F348-Y354 HydrophobicContact CZ-CG 4.11Å; Y354-V367 CarbonylContact C-O 3.6Å; Y354-V367 VanDerWaalsContact CA-O 3.27Å; Y354-V367 WeakPolarHBondContact CA-O 3.46Å; Y354-F395 AromaticContact CD2-CE1 3.81Å; Y354-F395 HydrophobicContact CD2-CE1 3.81Å; Y354-F395 HydrophobicContact CE2-CE1 4.13Å; Y354-F395 HydrophobicContact CG-CE1 4.02Å; Y354-F395 HydrophobicContact CG-CZ 4.44Å
355	V	98.9	Very high	98.1	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.4	168.1	-63.1	0	0	0	0	110	N277 Y280 V281 Y341 V345 L357 V366 V367	N277-V355 HydrophobicContact CB-CG1 4.27Å; N277-V355 WeakPolarHBondContact OD1-CG2 3.15Å; Y280-V355 HydrophobicContact CD1-CG1 4.44Å; V281-V355 HydrophobicContact CG2-CG1 3.71Å; Y341-V355 HydrophobicContact CD1-CB 4.17Å; Y341-V355 HydrophobicContact CE1-CB 3.88Å; Y341-V355 HydrophobicContact CE1-CG1 4.15Å; Y341-V355 HydrophobicContact CE1-CG2 4.21Å; V345-V355 HydrophobicContact CB-CG1 4.45Å; V345-V355 HydrophobicContact CG1-CB 4.2Å; V345-V355 HydrophobicContact CG1-CG1 4.45Å; V355-L357 HydrophobicContact CG2-CD1 4.11Å; V355-V366 CarbonylContact O-C 3.57Å; V355-V366 VanDerWaalsContact O-CA 3.3Å; V355-V366 WeakPolarHBondContact O-CA 3.44Å; V355-V367 HydrophobicContact CG2-CB 3.9Å; V355-V367 PolarHBondContact N-O 3.41Å; V355-V367 PolarHBondContact O-N 3.01Å
356	A	98.9	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138	176.5	0	0	0	0	0	109.9	L30 Y341 L342 L364 T365 V366	L30-A356 HydrophobicContact CD2-CB 3.96Å; Y341-A356 CarbonylContact C-O 3.27Å; Y341-A356 WeakPolarHBondContact CA-O 3.42Å; L342-A356 HydrophobicContact CB-CB 4.31Å; L342-A356 HydrophobicContact CD1-CB 3.73Å; L342-A356 HydrophobicContact CG-CB 3.94Å; L342-A356 PolarHBondContact N-O 2.75Å; A356-L364 HydrophobicContact CB-CD1 4.43Å; A356-T365 CarbonylContact C-O 3.59Å; A356-T365 VanDerWaalsContact CA-O 3.26Å; A356-T365 WeakPolarHBondContact CA-O 3.41Å; A356-V366 HydrophobicContact CB-CG2 4.19Å
357	L	98.9	Very high	98.1	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.6	-175.9	-57.9	91.7	0	0	0	111	F40 T335 W339 T340 Y341 V355 T365	F40-L357 HydrophobicContact CB-CD2 3.66Å; F40-L357 HydrophobicContact CD1-CD2 4.25Å; F40-L357 HydrophobicContact CD2-CD2 4.24Å; F40-L357 HydrophobicContact CG-CD2 3.81Å; T335-L357 HydrophobicContact CG2-CB 4.28Å; T335-L357 HydrophobicContact CG2-CD1 4.03Å; T335-L357 HydrophobicContact CG2-CD2 4.04Å; T335-L357 HydrophobicContact CG2-CG 4.35Å; W339-L357 HydrophobicContact CE3-CB 3.97Å; T340-L357 WeakPolarHBondContact O-CA 3.4Å; Y341-L357 HydrophobicContact CD1-CD1 3.92Å; Y341-L357 HydrophobicContact CD1-CD2 3.87Å; Y341-L357 HydrophobicContact CD1-CG 3.58Å; Y341-L357 HydrophobicContact CD2-CD2 4.22Å; Y341-L357 HydrophobicContact CE1-CD1 3.75Å; Y341-L357 HydrophobicContact CE1-CD2 3.75Å; Y341-L357 HydrophobicContact CE1-CG 3.77Å; Y341-L357 HydrophobicContact CE2-CD2 4.1Å; Y341-L357 HydrophobicContact CG-CD2 4.11Å; Y341-L357 HydrophobicContact CG-CG 4.08Å; V355-L357 HydrophobicContact CG2-CD1 4.11Å; L357-T365 PolarHBondContact N-O 3.43Å; L357-T365 PolarHBondContact O-N 3.11Å
358	T	98.8	Very high	98.1	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.1	173.8	-175	0	0	0	0	111.4	L36 W339 T340 L342 G360 N363 F401	L36-T358 HydrophobicContact CD1-CG2 4.34Å; L36-T358 HydrophobicContact CD2-CG2 3.86Å; W339-T358 WeakPolarHBondContact CA-O 3.18Å; T340-T358 PolarHBondContact N-O 3.21Å; T340-T358 PolarHBondContact O-N 3.4Å; L342-T358 HydrophobicContact CD2-CG2 4Å; T358-G360 VanDerWaalsContact C-N 3.33Å; T358-G360 PolarHBondContact OG1-N 2.64Å; T358-N363 WeakPolarHBondContact CA-O 3.3Å; T358-N363 VanDerWaalsContact CB-O 3.26Å; T358-N363 WeakPolarHBondContact CB-O 3.21Å; T358-N363 PolarHBondContact OG1-O 3.48Å; T358-F401 HydrophobicContact CG2-CZ 4.06Å
359	D	98.4	Very high	98.1	Very high	40 Å²	40	25.8 Å²	25.8	21%	0.214	17%	0.172	C	C	.	.			trans	-86.8	-2.6	170.3	66.7	-9.9	0	0	0	113.3	W339 N361 G362 N363	W339-D359 HydrophobicContact CD2-CB 3.92Å; W339-D359 HydrophobicContact CE3-CB 4.47Å; W339-D359 HydrophobicContact CG-CB 4.3Å; W339-D359 HydrophobicContact CH2-CB 4.39Å; W339-D359 HydrophobicContact CZ2-CB 3.82Å; D359-N361 PolarHBondContact O-N 3.25Å; D359-N361 PolarHBondContact O-ND2 3.26Å; D359-N361 WeakPolarHBondContact OD1-CA 3.45Å; D359-N361 PolarHBondContact OD1-N 3.27Å; D359-G362 PolarHBondContact OD1-N 2.76Å; D359-N363 WeakPolarHBondContact OD1-CB 3.43Å; D359-N363 PolarHBondContact OD1-N 3.35Å; D359-N363 VanDerWaalsContact OD1-N 3.08Å; D359-N363 PolarHBondContact OD2-ND2 3.42Å
360	G	96.9	Very high	98.3	Very high	59 Å²	59	23 Å²	23	61%	0.608	15%	0.149	S	C	*	.	S	Bend	trans	75.8	0.9	-174	0	0	0	0	0	114.5	T358	T358-G360 VanDerWaalsContact C-N 3.33Å; T358-G360 PolarHBondContact OG1-N 2.64Å
361	N	96.8	Very high	98.4	Very high	136 Å²	136	18.1 Å²	18.1	73%	0.727	13%	0.126	S	C	*	.	S	Bend	trans	-112.4	21.7	179.6	-58.2	-52.6	0	0	0	112.2	D359	D359-N361 PolarHBondContact O-N 3.25Å; D359-N361 PolarHBondContact O-ND2 3.26Å; D359-N361 WeakPolarHBondContact OD1-CA 3.45Å; D359-N361 PolarHBondContact OD1-N 3.27Å
362	G	95.4	Very high	98.4	Very high	46 Å²	46	18.1 Å²	18.1	47%	0.474	12%	0.123	S	C	.	.	S	Bend	trans	91.3	-0.2	176.9	0	0	0	0	0	114.8	D359	D359-G362 PolarHBondContact OD1-N 2.76Å
363	N	98.4	Very high	98.4	Very high	45 Å²	45	19.4 Å²	19.4	24%	0.241	13%	0.127	C	C	.	.			trans	-80.3	145.6	170.5	-68.6	-62.5	0	0	0	111.3	W339 T358 D359 T451 I452	W339-N363 HydrophobicContact CH2-CB 3.87Å; W339-N363 HydrophobicContact CZ2-CB 4.48Å; T358-N363 WeakPolarHBondContact CA-O 3.3Å; T358-N363 VanDerWaalsContact CB-O 3.26Å; T358-N363 WeakPolarHBondContact CB-O 3.21Å; T358-N363 PolarHBondContact OG1-O 3.48Å; D359-N363 WeakPolarHBondContact OD1-CB 3.43Å; D359-N363 PolarHBondContact OD1-N 3.35Å; D359-N363 VanDerWaalsContact OD1-N 3.08Å; D359-N363 PolarHBondContact OD2-ND2 3.42Å; N363-T451 VanDerWaalsContact CA-OG1 3.23Å; N363-T451 WeakPolarHBondContact CA-OG1 3.32Å; N363-T451 WeakPolarHBondContact CB-OG1 3.36Å; N363-T451 PolarHBondContact OD1-OG1 3.2Å; N363-I452 HydrophobicContact CB-CD1 4.06Å
364	L	98.8	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.4	177	177.2	65.5	0	0	0	108.5	L30 L342 A356 V366 L397 F401 I404 T450 T451	L30-L364 HydrophobicContact CD1-CD2 4.49Å; L342-L364 HydrophobicContact CD1-CD1 4.09Å; A356-L364 HydrophobicContact CB-CD1 4.43Å; L364-V366 HydrophobicContact CD1-CG2 4.44Å; L364-V366 HydrophobicContact CD2-CG2 4.43Å; L364-V366 HydrophobicContact CG-CG2 4.24Å; L364-L397 HydrophobicContact CD2-CD2 3.91Å; L364-L397 HydrophobicContact CD2-CG 4.21Å; L364-F401 HydrophobicContact CB-CD1 4.02Å; L364-F401 HydrophobicContact CB-CE1 4.16Å; L364-F401 HydrophobicContact CD1-CD1 4.32Å; L364-F401 HydrophobicContact CD1-CE1 4.14Å; L364-F401 HydrophobicContact CD1-CE2 4.42Å; L364-F401 HydrophobicContact CD1-CZ 4.2Å; L364-F401 HydrophobicContact CD2-CB 4.31Å; L364-F401 HydrophobicContact CD2-CD1 4.2Å; L364-F401 HydrophobicContact CD2-CG 4.14Å; L364-F401 HydrophobicContact CG-CD1 4.41Å; L364-I404 HydrophobicContact CB-CD1 3.85Å; L364-I404 HydrophobicContact CD2-CD1 4.06Å; L364-T450 CarbonylContact O-C 3.39Å; L364-T450 VanDerWaalsContact O-CA 3.23Å; L364-T450 WeakPolarHBondContact O-CA 3.32Å; L364-T450 PolarHBondContact O-OG1 3Å; L364-T451 HydrophobicContact CB-CG2 4.38Å; L364-T451 PolarHBondContact N-OG1 2.69Å; L364-T451 VanDerWaalsContact N-OG1 3.1Å; L364-T451 PolarHBondContact O-N 3.27Å
365	T	98.9	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.3	170.8	-68.2	0	0	0	0	108.9	F334 T335 A356 L357 V367 T448 L449 T450	F334-T365 HydrophobicContact CB-CG2 3.63Å; F334-T365 WeakPolarHBondContact O-CB 3.42Å; F334-T365 PolarHBondContact O-OG1 2.84Å; T335-T365 HydrophobicContact CG2-CG2 3.99Å; A356-T365 CarbonylContact C-O 3.59Å; A356-T365 VanDerWaalsContact CA-O 3.26Å; A356-T365 WeakPolarHBondContact CA-O 3.41Å; L357-T365 PolarHBondContact N-O 3.43Å; L357-T365 PolarHBondContact O-N 3.11Å; T365-V367 HydrophobicContact CG2-CG2 4.11Å; T365-T448 HydrophobicContact CG2-CG2 3.85Å; T365-L449 CarbonylContact C-O 3.26Å; T365-L449 WeakPolarHBondContact CA-O 3.42Å; T365-T450 WeakPolarHBondContact OG1-CB 3.4Å; T365-T450 PolarHBondContact OG1-OG1 3.18Å
366	V	98.9	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.7	176.2	-171.8	0	0	0	0	107.9	L30 V355 A356 L364 I368 F395 T448 L449	L30-V366 HydrophobicContact CD1-CG2 3.63Å; V355-V366 CarbonylContact O-C 3.57Å; V355-V366 VanDerWaalsContact O-CA 3.3Å; V355-V366 WeakPolarHBondContact O-CA 3.44Å; A356-V366 HydrophobicContact CB-CG2 4.19Å; L364-V366 HydrophobicContact CD1-CG2 4.44Å; L364-V366 HydrophobicContact CD2-CG2 4.43Å; L364-V366 HydrophobicContact CG-CG2 4.24Å; V366-I368 HydrophobicContact CG1-CD1 4.4Å; V366-I368 HydrophobicContact CG1-CG1 4.1Å; V366-F395 HydrophobicContact CG1-CE1 4.48Å; V366-T448 CarbonylContact O-C 3.52Å; V366-T448 VanDerWaalsContact O-CA 3.31Å; V366-T448 WeakPolarHBondContact O-CA 3.44Å; V366-L449 HydrophobicContact CB-CB 4.4Å; V366-L449 PolarHBondContact N-O 3.32Å; V366-L449 PolarHBondContact O-N 3.01Å
367	V	98.9	Very high	98.1	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.2	176.6	-173.6	0	0	0	0	108.5	N277 H330 Y354 V355 T365 Y447 T448	N277-V367 PolarHBondContact ND2-O 3.3Å; N277-V367 VanDerWaalsContact ND2-O 3.09Å; H330-V367 HydrophobicContact CB-CG1 4.49Å; H330-V367 WeakPolarHBondContact O-CG2 3Å; Y354-V367 CarbonylContact C-O 3.6Å; Y354-V367 VanDerWaalsContact CA-O 3.27Å; Y354-V367 WeakPolarHBondContact CA-O 3.46Å; V355-V367 HydrophobicContact CG2-CB 3.9Å; V355-V367 PolarHBondContact N-O 3.41Å; V355-V367 PolarHBondContact O-N 3.01Å; T365-V367 HydrophobicContact CG2-CG2 4.11Å; V367-Y447 CarbonylContact C-O 3.6Å; V367-Y447 WeakPolarHBondContact CA-O 3.31Å; V367-T448 HydrophobicContact CG2-CG2 4.22Å
368	I	98.9	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.6	-172.7	-63.3	173.7	0	0	0	108.1	F348 V366 F395 L439 L441 V446 Y447 L449	F348-I368 HydrophobicContact CE2-CG2 3.68Å; F348-I368 HydrophobicContact CZ-CG1 4.34Å; F348-I368 HydrophobicContact CZ-CG2 3.68Å; V366-I368 HydrophobicContact CG1-CD1 4.4Å; V366-I368 HydrophobicContact CG1-CG1 4.1Å; I368-F395 HydrophobicContact CD1-CE2 3.71Å; I368-F395 HydrophobicContact CD1-CZ 3.57Å; I368-F395 HydrophobicContact CG1-CZ 4.2Å; I368-L439 HydrophobicContact CD1-CD1 3.86Å; I368-L441 HydrophobicContact CG2-CD1 4.09Å; I368-L441 HydrophobicContact CG2-CD2 4.14Å; I368-V446 CarbonylContact O-C 3.58Å; I368-V446 VanDerWaalsContact O-CA 3.24Å; I368-V446 WeakPolarHBondContact O-CA 3.11Å; I368-V446 WeakPolarHBondContact O-CG1 2.97Å; I368-Y447 PolarHBondContact N-O 3.43Å; I368-Y447 PolarHBondContact O-N 2.75Å; I368-L449 HydrophobicContact CD1-CD1 3.67Å
369	E	98.8	Very high	98	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.5	171.1	66.2	79.3	-162.7	0	0	111.2	N277 Q278 G352 S353 M371 E445 V446	N277-E369 HydrophobicContact CB-CG 4.04Å; Q278-E369 PolarHBondContact NE2-OE1 3.11Å; G352-E369 CarbonylContact C-O 3.59Å; G352-E369 WeakPolarHBondContact CA-O 3.33Å; S353-E369 WeakPolarHBondContact CB-OE1 3.42Å; S353-E369 PolarHBondContact N-O 3.49Å; S353-E369 PolarHBondContact N-OE1 3.17Å; S353-E369 PolarHBondContact O-N 3.3Å; S353-E369 WeakPolarHBondContact OG-CG 3.43Å; S353-E369 PolarHBondContact OG-OE1 2.9Å; E369-M371 HydrophobicContact CB-CG 4.42Å; E369-M371 WeakPolarHBondContact OE2-CB 3.45Å; E369-M371 WeakPolarHBondContact OE2-CG 3.47Å; E369-M371 PolarHBondContact OE2-N 3.34Å; E369-E445 WeakPolarHBondContact CA-O 3.26Å; E369-V446 HydrophobicContact CB-CG2 4.38Å
370	T	98.6	Very high	98	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	21%	0.208	C	C	.	.			trans	-128.3	41.8	176.2	51.6	0	0	0	0	111.6	F348 T372 L441 A442 D444 E445	F348-T370 HydrophobicContact CD2-CG2 4.49Å; F348-T370 HydrophobicContact CE2-CG2 4.5Å; T370-T372 PolarHBondContact O-N 2.83Å; T370-L441 HydrophobicContact CG2-CB 4.01Å; T370-L441 HydrophobicContact CG2-CD1 4.19Å; T370-A442 VanDerWaalsContact CB-O 3.3Å; T370-A442 WeakPolarHBondContact CB-O 3.34Å; T370-A442 PolarHBondContact OG1-O 3.05Å; T370-D444 PolarHBondContact O-N 2.94Å; T370-E445 PolarHBondContact N-O 2.88Å; T370-E445 PolarHBondContact OG1-N 3.22Å; T370-E445 VanDerWaalsContact OG1-N 3.15Å; T370-E445 PolarHBondContact OG1-O 2.79Å
371	M	98.6	Very high	98	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.197	C	C	.	.			trans	-66	125.6	-175.2	-62	-60.9	101	0	0	111.3	G270 A273 R274 E369 F386 V388 F414 E445 V446	G270-M371 VanDerWaalsContact CA-SD 3.57Å; G270-M371 WeakPolarHBondContact O-CG 3.28Å; A273-M371 HydrophobicContact CB-CG 3.9Å; A273-M371 HydrophobicContact CB-SD 3.99Å; R274-M371 HydrophobicContact CB-CB 4.21Å; R274-M371 HydrophobicContact CB-CG 4.22Å; E369-M371 HydrophobicContact CB-CG 4.42Å; E369-M371 WeakPolarHBondContact OE2-CB 3.45Å; E369-M371 WeakPolarHBondContact OE2-CG 3.47Å; E369-M371 PolarHBondContact OE2-N 3.34Å; M371-F386 VanDerWaalsContact O-CE2 3.31Å; M371-F386 WeakPolarHBondContact O-CE2 3.46Å; M371-V388 WeakPolarHBondContact O-CG2 3.36Å; M371-F414 HydrophobicContact CE-CD2 4.24Å; M371-F414 HydrophobicContact CE-CE2 4.3Å; M371-F414 HydrophobicContact SD-CD2 4.1Å; M371-F414 HydrophobicContact SD-CE2 3.98Å; M371-E445 VanDerWaalsContact CE-C 3.46Å; M371-E445 WeakPolarHBondContact CE-O 3.12Å; M371-V446 HydrophobicContact CE-CG2 3.58Å; M371-V446 HydrophobicContact SD-CG2 4.44Å
372	T	98	Very high	98	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.098	20%	0.2	C	C	.	.			trans	-72.2	157.6	174.7	61.2	0	0	0	0	110.7	T370 H375 S376 V388 E443 D444	T370-T372 PolarHBondContact O-N 2.83Å; T372-H375 PolarHBondContact O-N 3.43Å; T372-H375 WeakPolarHBondContact OG1-CB 3.49Å; T372-H375 PolarHBondContact OG1-ND1 3.21Å; T372-H375 VanDerWaalsContact OG1-ND1 3.08Å; T372-S376 WeakPolarHBondContact O-CB 3.27Å; T372-S376 PolarHBondContact O-N 3.45Å; T372-S376 PolarHBondContact O-OG 2.82Å; T372-V388 HydrophobicContact CG2-CB 4.18Å; T372-E443 HydrophobicContact CG2-CB 3.67Å; T372-E443 HydrophobicContact CG2-CG 3.78Å; T372-D444 VanDerWaalsContact CB-OD1 3.32Å; T372-D444 WeakPolarHBondContact CB-OD1 2.9Å; T372-D444 WeakPolarHBondContact CG2-OD1 3.31Å; T372-D444 PolarHBondContact N-OD1 3.46Å; T372-D444 PolarHBondContact OG1-OD1 2.93Å; T372-D444 PolarHBondContact OG1-OD2 2.9Å
373	H	98.1	Very high	98.1	Very high	31 Å²	31	35.4 Å²	35.4	14%	0.144	19%	0.188	C	C	.	.	S	Bend	trans	-55.7	-56	-177.8	171.5	-88.8	0	0	0	112.4	H375 S376 I377 L383 P384 F386	H373-H375 PolarHBondContact O-N 3.14Å; H373-S376 PolarHBondContact O-N 3.38Å; H373-I377 VanDerWaalsContact O-CG1 3.23Å; H373-I377 WeakPolarHBondContact O-CG1 3.25Å; H373-L383 PolarHBondContact NE2-O 2.96Å; H373-L383 VanDerWaalsContact NE2-O 3.16Å; H373-P384 PolarHBondContact CD2-O 3.12Å; H373-P384 VanDerWaalsContact CD2-O 3.3Å; H373-F386 HydrophobicContact CB-CD1 3.98Å; H373-F386 HydrophobicContact CB-CE1 3.74Å; H373-F386 HydrophobicContact CB-CE2 4.4Å; H373-F386 HydrophobicContact CB-CG 4.39Å; H373-F386 HydrophobicContact CB-CZ 3.98Å; H373-F386 AromaticContact CD2-CD1 3.83Å; H373-F386 AromaticContact CD2-CE1 3.79Å
374	D	96.3	Very high	97.9	Very high	109 Å²	109	37.7 Å²	37.7	58%	0.583	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.9	-172.2	-65.2	-16.7	0	0	0	113.1
375	H	96.4	Very high	97.9	Very high	53 Å²	53	43.2 Å²	43.2	25%	0.245	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	12	-179.3	-54	157.3	0	0	0	113.1	T372 H373 L416 D444	T372-H375 PolarHBondContact O-N 3.43Å; T372-H375 WeakPolarHBondContact OG1-CB 3.49Å; T372-H375 PolarHBondContact OG1-ND1 3.21Å; T372-H375 VanDerWaalsContact OG1-ND1 3.08Å; H373-H375 PolarHBondContact O-N 3.14Å; H375-L416 HydrophobicContact CB-CD1 3.49Å; H375-L416 VanDerWaalsContact CB-CD1 3.49Å; H375-L416 VanDerWaalsContact CD2-CD1 3.4Å; H375-L416 WeakPolarHBondContact CD2-CD1 3.02Å; H375-L416 WeakPolarHBondContact ND1-CD1 3.26Å; H375-D444 IonicContact CE1-OD2 3.93Å; H375-D444 IonicContact CG-OD2 3.74Å; H375-D444 IonicContact ND1-OD1 2.99Å; H375-D444 IonicContact ND1-OD2 3.92Å; H375-D444 PolarHBondContact ND1-OD2 2.74Å
376	S	98	Very high	97.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.			trans	-142.3	25.3	178.8	66.5	0	0	0	0	114.1	G270 C271 R274 T372 H373 C378	G270-S376 VanDerWaalsContact C-CB 3.4Å; G270-S376 WeakPolarHBondContact O-CB 3.48Å; C271-S376 WeakPolarHBondContact CA-O 3.48Å; R274-S376 PolarHBondContact NE-O 3.23Å; R274-S376 PolarHBondContact NE-OG 2.73Å; R274-S376 PolarHBondContact NH2-O 2.78Å; T372-S376 WeakPolarHBondContact O-CB 3.27Å; T372-S376 PolarHBondContact O-N 3.45Å; T372-S376 PolarHBondContact O-OG 2.82Å; H373-S376 PolarHBondContact O-N 3.38Å; S376-C378 PolarHBondContact O-N 3.38Å
377	I	98.2	Very high	97.7	Very high	71 Å²	71	53.2 Å²	53.2	36%	0.364	29%	0.292	S	S	.	.			trans	-70.6	117.2	177.2	-55.8	-178.8	0	0	0	108.6	H373	H373-I377 VanDerWaalsContact O-CG1 3.23Å; H373-I377 WeakPolarHBondContact O-CG1 3.25Å
378	C	98.5	Very high	97.7	Very high	7 Å²	7	53.5 Å²	53.5	5%	0.047	29%	0.294	C	S	.	.			trans	-82.6	157.8	166.1	-51.7	0	0	0	0	109.4	T262 C271 R274 S376 R380	T262-C378 WeakPolarHBondContact OG1-CA 3.39Å; C271-C378 HydrophobicContact CB-CB 4.08Å; C271-C378 WeakPolarHBondContact CB-SG 3.43Å; C271-C378 WeakPolarHBondContact SG-CA 3.36Å; C271-C378 WeakPolarHBondContact SG-CB 3.39Å; C271-C378 CovalentContact SG-SG 2.03Å; C271-C378 PolarHBondContact SG-SG 2.89Å; R274-C378 PolarHBondContact NH2-SG 3.35Å; S376-C378 PolarHBondContact O-N 3.38Å; C378-R380 PolarHBondContact O-N 3.2Å
379	I	98.3	Very high	97.6	Very high	82 Å²	82	56.6 Å²	56.6	42%	0.421	31%	0.312	S	S	.	.	S	Bend	trans	-61.5	-29.9	174.8	-166.6	164.1	0	0	0	112.6	S261 T262 F303	S261-I379 WeakPolarHBondContact O-CG2 3.27Å; T262-I379 PolarHBondContact OG1-N 3.19Å; F303-I379 HydrophobicContact CD1-CD1 4.13Å; F303-I379 HydrophobicContact CE1-CD1 3.8Å
380	R	98.2	Very high	97.5	Very high	102 Å²	102	60 Å²	60	39%	0.385	34%	0.336	S	S	.	.	S	Bend	trans	-145.4	143.5	-175.7	-67.9	168.4	-163.7	-153.1	7.1	111.5	Y238 C378	Y238-R380 HydrophobicContact CD1-CB 3.93Å; Y238-R380 HydrophobicContact CG-CB 3.98Å; C378-R380 PolarHBondContact O-N 3.2Å
381	P	97.8	Very high	97.4	Very high	57 Å²	57	60.8 Å²	60.8	37%	0.37	34%	0.34	S	S	.	.	S	Bend	cis	-70.5	174.6	-23.7	33.3	-35.1	0	0	0	110.9	G240 L383	G240-P381 VanDerWaalsContact CA-CG 3.48Å; P381-L383 PolarHBondContact O-N 3.43Å
382	P	95.9	Very high	97.3	Very high	122 Å²	122	64.3 Å²	64.3	79%	0.792	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-53	131.3	168	-25.5	34.8	0	0	0	111.4	P384	P382-P384 WeakPolarHBondContact O-CD 3.47Å
383	L	96.7	Very high	97.3	Very high	42 Å²	42	63.5 Å²	63.5	22%	0.22	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-91.7	119.8	-178.3	-170.1	58.5	0	0	0	109.7	H373 P381 F386	H373-L383 PolarHBondContact NE2-O 2.96Å; H373-L383 VanDerWaalsContact NE2-O 3.16Å; P381-L383 PolarHBondContact O-N 3.43Å; L383-F386 HydrophobicContact CD1-CE1 4.27Å; L383-F386 HydrophobicContact CD2-CE1 3.76Å; L383-F386 HydrophobicContact CG-CE1 4Å
384	P	96.1	Very high	97.3	Very high	92 Å²	92	63.1 Å²	63.1	60%	0.597	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-65.1	149.5	172.4	-21.7	34.3	0	0	0	111.3	H373 P382	H373-P384 PolarHBondContact CD2-O 3.12Å; H373-P384 VanDerWaalsContact CD2-O 3.3Å; P382-P384 WeakPolarHBondContact O-CD 3.47Å
385	P	97.1	Very high	97.4	Very high	117 Å²	117	58 Å²	58	76%	0.76	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-63.6	138.1	-179.5	26.6	-34.6	0	0	0	111.8
386	F	97.9	Very high	97.5	Very high	62 Å²	62	57.9 Å²	57.9	27%	0.272	33%	0.326	S	S	.	.			trans	-144.2	158	171.6	64.4	-87.1	0	0	0	110.1	M371 H373 L383 V388	M371-F386 VanDerWaalsContact O-CE2 3.31Å; M371-F386 WeakPolarHBondContact O-CE2 3.46Å; H373-F386 HydrophobicContact CB-CD1 3.98Å; H373-F386 HydrophobicContact CB-CE1 3.74Å; H373-F386 HydrophobicContact CB-CE2 4.4Å; H373-F386 HydrophobicContact CB-CG 4.39Å; H373-F386 HydrophobicContact CB-CZ 3.98Å; H373-F386 AromaticContact CD2-CD1 3.83Å; H373-F386 AromaticContact CD2-CE1 3.79Å; L383-F386 HydrophobicContact CD1-CE1 4.27Å; L383-F386 HydrophobicContact CD2-CE1 3.76Å; L383-F386 HydrophobicContact CG-CE1 4Å; F386-V388 HydrophobicContact CD2-CG2 3.84Å; F386-V388 HydrophobicContact CE2-CG2 3.6Å
387	N	97.4	Very high	97.5	Very high	147 Å²	147	58 Å²	58	79%	0.786	33%	0.327	S	S	*	.			trans	-105	140.8	179.2	-70.5	-19	0	0	0	110.5
388	V	98	Very high	97.4	Very high	11 Å²	11	59.1 Å²	59.1	7%	0.067	33%	0.329	C	S	.	.			trans	-124.4	135.7	166.2	-175.5	0	0	0	0	107.4	Q350 M371 T372 F386 E443	Q350-V388 VanDerWaalsContact O-CA 3.31Å; Q350-V388 WeakPolarHBondContact O-CA 3.02Å; M371-V388 WeakPolarHBondContact O-CG2 3.36Å; T372-V388 HydrophobicContact CG2-CB 4.18Å; F386-V388 HydrophobicContact CD2-CG2 3.84Å; F386-V388 HydrophobicContact CE2-CG2 3.6Å; V388-E443 HydrophobicContact CG1-CG 4.3Å
389	T	96.9	Very high	97.3	Very high	64 Å²	64	60 Å²	60	39%	0.393	34%	0.339	S	S	.	.			trans	-137.2	155.3	173	60.3	0	0	0	0	110.4	Q350 Q391	Q350-T389 PolarHBondContact O-N 3.15Å; T389-Q391 PolarHBondContact O-N 2.93Å
390	S	96.1	Very high	97.2	Very high	72 Å²	72	59.2 Å²	59.2	50%	0.503	34%	0.341	S	S	.	.			trans	-55.9	136.5	179.2	-55.2	0	0	0	0	112.2	L441	S390-L441 CarbonylContact C-O 3.52Å; S390-L441 WeakPolarHBondContact CA-O 3.42Å
391	Q	97.3	Very high	97.2	Very high	19 Å²	19	54.5 Å²	54.5	9%	0.089	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151	-174.7	65.2	-169.6	-53.9	0	0	112.6	Q350 G351 T389 L441	Q350-Q391 HydrophobicContact CB-CB 4.01Å; Q350-Q391 HydrophobicContact CB-CG 4.3Å; Q350-Q391 HydrophobicContact CG-CB 3.98Å; G351-Q391 PolarHBondContact O-NE2 2.76Å; T389-Q391 PolarHBondContact O-N 2.93Å; Q391-L441 HydrophobicContact CG-CB 4.38Å; Q391-L441 PolarHBondContact N-O 3.22Å; Q391-L441 PolarHBondContact O-N 2.96Å
392	N	97.1	Very high	97.1	Very high	74 Å²	74	54 Å²	54	40%	0.396	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.8	168.7	-71.8	-33.9	0	0	0	109.9	T438 L439 N440	N392-T438 HydrophobicContact CB-CG2 4.23Å; N392-L439 WeakPolarHBondContact CA-O 3.35Å; N392-N440 WeakPolarHBondContact OD1-CA 3.15Å; N392-N440 WeakPolarHBondContact OD1-CB 3.49Å
393	A	97.3	Very high	97	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.4	174.5	0	0	0	0	0	109.8	Y28 F348 F395 T438 L439 L441	Y28-A393 HydrophobicContact CD2-CB 4.16Å; Y28-A393 HydrophobicContact CE2-CB 3.89Å; F348-A393 HydrophobicContact CD1-CB 4.34Å; F348-A393 HydrophobicContact CE1-CB 4.05Å; A393-F395 HydrophobicContact CB-CE2 3.86Å; A393-F395 HydrophobicContact CB-CZ 4.41Å; A393-T438 WeakPolarHBondContact O-CA 3.19Å; A393-L439 PolarHBondContact N-O 2.87Å; A393-L439 PolarHBondContact O-N 3.03Å; A393-L441 HydrophobicContact CB-CD1 3.7Å; A393-L441 HydrophobicContact CB-CG 4.29Å
394	T	98	Very high	97.1	Very high	23 Å²	23	51.2 Å²	51.2	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124	175.1	-62.1	0	0	0	0	109	Q26 T27 Y28 F437 T438	Q26-T394 PolarHBondContact O-N 2.81Å; T27-T394 CarbonylContact C-O 3.57Å; T27-T394 VanDerWaalsContact CA-O 3.27Å; T27-T394 WeakPolarHBondContact CA-O 3.5Å; Y28-T394 PolarHBondContact N-O 2.8Å; T394-F437 CarbonylContact C-O 3.45Å; T394-F437 WeakPolarHBondContact CA-O 3.37Å; T394-T438 PolarHBondContact OG1-OG1 3.43Å
395	F	98.3	Very high	97.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.4	175.7	-67.1	-91.7	0	0	0	109.9	Y28 L30 F348 Y354 V366 I368 A393 S436 F437	Y28-F395 WeakPolarHBondContact O-CA 3.44Å; L30-F395 HydrophobicContact CD1-CB 4.09Å; L30-F395 HydrophobicContact CD1-CD1 3.89Å; L30-F395 HydrophobicContact CD1-CG 4.34Å; L30-F395 HydrophobicContact CD2-CD1 4.05Å; L30-F395 HydrophobicContact CG-CB 4.48Å; L30-F395 HydrophobicContact CG-CD1 3.98Å; F348-F395 HydrophobicContact CE1-CE1 4.44Å; F348-F395 AromaticContact CE1-CZ 3.74Å; F348-F395 HydrophobicContact CE1-CZ 3.74Å; F348-F395 AromaticContact CZ-CZ 3.98Å; F348-F395 HydrophobicContact CZ-CZ 3.98Å; Y354-F395 AromaticContact CD2-CE1 3.81Å; Y354-F395 HydrophobicContact CD2-CE1 3.81Å; Y354-F395 HydrophobicContact CE2-CE1 4.13Å; Y354-F395 HydrophobicContact CG-CE1 4.02Å; Y354-F395 HydrophobicContact CG-CZ 4.44Å; V366-F395 HydrophobicContact CG1-CE1 4.48Å; I368-F395 HydrophobicContact CD1-CE2 3.71Å; I368-F395 HydrophobicContact CD1-CZ 3.57Å; I368-F395 HydrophobicContact CG1-CZ 4.2Å; A393-F395 HydrophobicContact CB-CE2 3.86Å; A393-F395 HydrophobicContact CB-CZ 4.41Å; F395-S436 CarbonylContact O-C 3.48Å; F395-S436 WeakPolarHBondContact O-CA 3.37Å; F395-S436 WeakPolarHBondContact O-CB 3.48Å; F395-F437 HydrophobicContact CB-CD1 4.1Å; F395-F437 HydrophobicContact CB-CD2 4.4Å; F395-F437 HydrophobicContact CB-CE1 3.55Å; F395-F437 HydrophobicContact CB-CE2 3.87Å; F395-F437 HydrophobicContact CB-CZ 3.41Å; F395-F437 VanDerWaalsContact CB-CZ 3.41Å; F395-F437 HydrophobicContact CD2-CD2 4.21Å; F395-F437 AromaticContact CD2-CE2 3.39Å; F395-F437 HydrophobicContact CD2-CE2 3.39Å; F395-F437 AromaticContact CD2-CZ 3.61Å; F395-F437 HydrophobicContact CD2-CZ 3.61Å; F395-F437 HydrophobicContact CE2-CE2 4.19Å; F395-F437 HydrophobicContact CG-CE1 4.26Å; F395-F437 AromaticContact CG-CE2 3.88Å; F395-F437 HydrophobicContact CG-CE2 3.88Å; F395-F437 AromaticContact CG-CZ 3.61Å; F395-F437 HydrophobicContact CG-CZ 3.61Å; F395-F437 PolarHBondContact N-O 2.86Å; F395-F437 PolarHBondContact O-N 3.18Å
396	Q	98	Very high	97.2	Very high	51 Å²	51	50.6 Å²	50.6	24%	0.238	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.4	178.4	-177.8	72.5	54.2	0	0	109.9	T27 Y28 P29 L30 K398 D434 G435	T27-Q396 HydrophobicContact CG2-CB 4.03Å; Y28-Q396 PolarHBondContact O-N 3.08Å; P29-Q396 CarbonylContact C-O 3.53Å; P29-Q396 WeakPolarHBondContact CA-O 3.33Å; L30-Q396 PolarHBondContact N-O 3.23Å; Q396-K398 HydrophobicContact CG-CG 4.06Å; Q396-D434 PolarHBondContact NE2-O 2.92Å; Q396-G435 VanDerWaalsContact NE2-C 3.34Å; Q396-G435 PolarHBondContact NE2-O 2.87Å
397	L	98.1	Very high	97.2	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.2	175	-78	65.3	0	0	0	109.4	L30 L364 F401 I404 L432 G435 F437	L30-L397 HydrophobicContact CB-CD1 4.49Å; L30-L397 HydrophobicContact CB-CG 4.45Å; L30-L397 HydrophobicContact CD1-CD1 3.95Å; L364-L397 HydrophobicContact CD2-CD2 3.91Å; L364-L397 HydrophobicContact CD2-CG 4.21Å; L397-F401 HydrophobicContact CB-CB 4.13Å; L397-F401 HydrophobicContact CD2-CB 4.08Å; L397-F401 HydrophobicContact CG-CB 4.17Å; L397-I404 HydrophobicContact CD2-CB 3.79Å; L397-I404 HydrophobicContact CD2-CD1 4.04Å; L397-I404 HydrophobicContact CD2-CG1 4.41Å; L397-I404 HydrophobicContact CD2-CG2 4.07Å; L397-L432 HydrophobicContact CB-CD2 4.32Å; L397-L432 HydrophobicContact CD1-CD2 3.73Å; L397-L432 HydrophobicContact CD2-CD2 3.55Å; L397-L432 HydrophobicContact CG-CD2 4.06Å; L397-G435 PolarHBondContact N-O 3.29Å; L397-F437 HydrophobicContact CD1-CD1 4.15Å; L397-F437 HydrophobicContact CD1-CE1 3.84Å
398	K	96.9	Very high	97.3	Very high	95 Å²	95	41.1 Å²	41.1	41%	0.413	24%	0.238	S	C	.	.			trans	-132.5	-176.1	176.7	-55.8	-176.9	179.5	-178.4	0	110	L30 Q396 S400 F401	L30-K398 PolarHBondContact O-N 3.32Å; Q396-K398 HydrophobicContact CG-CG 4.06Å; K398-S400 PolarHBondContact O-N 2.72Å; K398-F401 PolarHBondContact O-N 3.17Å; K398-F401 VanDerWaalsContact O-N 3.17Å
399	G	96.1	Very high	97.3	Very high	26 Å²	26	40.8 Å²	40.8	27%	0.268	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	57.1	-137.5	-179.1	0	0	0	0	0	112.5	D32 E33 F401 A402	D32-G399 WeakPolarHBondContact OD1-CA 3.44Å; E33-G399 WeakPolarHBondContact OE1-CA 3.2Å; E33-G399 PolarHBondContact OE1-N 3.43Å; E33-G399 VanDerWaalsContact OE1-N 3.11Å; G399-F401 PolarHBondContact O-N 2.96Å; G399-A402 WeakPolarHBondContact O-CB 3.49Å; G399-A402 PolarHBondContact O-N 2.76Å
400	S	96.4	Very high	97.4	Very high	65 Å²	65	38.2 Å²	38.2	46%	0.455	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64.1	-23.9	180	66.4	0	0	0	0	113.3	D32 K398 A402 S403	D32-S400 PolarHBondContact OD1-N 2.66Å; D32-S400 PolarHBondContact OD1-OG 2.88Å; D32-S400 WeakPolarHBondContact OD2-CB 3.45Å; D32-S400 PolarHBondContact OD2-OG 2.68Å; K398-S400 PolarHBondContact O-N 2.72Å; S400-A402 VanDerWaalsContact C-N 3.35Å; S400-A402 PolarHBondContact O-N 3.22Å; S400-S403 PolarHBondContact O-OG 2.89Å
401	F	97.6	Very high	97.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-80	-11.5	-177.9	-51.1	-57.4	0	0	0	114	D32 L342 T358 L364 L397 K398 G399 S403 I404	D32-F401 HydrophobicContact CB-CE2 3.94Å; D32-F401 HydrophobicContact CB-CZ 4.38Å; L342-F401 HydrophobicContact CD1-CD2 4.36Å; L342-F401 HydrophobicContact CD1-CE2 3.7Å; L342-F401 HydrophobicContact CD1-CZ 4.34Å; L342-F401 HydrophobicContact CD2-CE2 3.71Å; L342-F401 HydrophobicContact CD2-CZ 3.81Å; L342-F401 HydrophobicContact CG-CE2 4.38Å; T358-F401 HydrophobicContact CG2-CZ 4.06Å; L364-F401 HydrophobicContact CB-CD1 4.02Å; L364-F401 HydrophobicContact CB-CE1 4.16Å; L364-F401 HydrophobicContact CD1-CD1 4.32Å; L364-F401 HydrophobicContact CD1-CE1 4.14Å; L364-F401 HydrophobicContact CD1-CE2 4.42Å; L364-F401 HydrophobicContact CD1-CZ 4.2Å; L364-F401 HydrophobicContact CD2-CB 4.31Å; L364-F401 HydrophobicContact CD2-CD1 4.2Å; L364-F401 HydrophobicContact CD2-CG 4.14Å; L364-F401 HydrophobicContact CG-CD1 4.41Å; L397-F401 HydrophobicContact CB-CB 4.13Å; L397-F401 HydrophobicContact CD2-CB 4.08Å; L397-F401 HydrophobicContact CG-CB 4.17Å; K398-F401 PolarHBondContact O-N 3.17Å; K398-F401 VanDerWaalsContact O-N 3.17Å; G399-F401 PolarHBondContact O-N 2.96Å; F401-S403 PolarHBondContact O-N 2.99Å; F401-I404 HydrophobicContact CB-CD1 4.08Å; F401-I404 HydrophobicContact CD1-CD1 4.05Å; F401-I404 WeakPolarHBondContact O-CB 3.31Å; F401-I404 WeakPolarHBondContact O-CG1 3.35Å; F401-I404 PolarHBondContact O-N 3.46Å
402	A	95.7	Very high	97.6	Very high	46 Å²	46	36.7 Å²	36.7	38%	0.38	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-59.9	-20.4	-178.5	0	0	0	0	0	114	G399 S400	G399-A402 WeakPolarHBondContact O-CB 3.49Å; G399-A402 PolarHBondContact O-N 2.76Å; S400-A402 VanDerWaalsContact C-N 3.35Å; S400-A402 PolarHBondContact O-N 3.22Å
403	S	94.9	Very high	97.5	Very high	89 Å²	89	35.4 Å²	35.4	62%	0.622	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-77.5	-19.9	177.3	65.8	0	0	0	0	113.7	S400 F401 K405	S400-S403 PolarHBondContact O-OG 2.89Å; F401-S403 PolarHBondContact O-N 2.99Å; S403-K405 WeakPolarHBondContact O-CE 3.36Å; S403-K405 WeakPolarHBondContact O-CG 3.38Å; S403-K405 PolarHBondContact O-N 3.12Å
404	I	97.7	Very high	97.3	Very high	18 Å²	18	35.7 Å²	35.7	9%	0.092	19%	0.194	C	C	.	.			trans	-64.4	130.7	-179.1	-63	174.1	0	0	0	109.8	L364 L397 F401 L407 L432 T451	L364-I404 HydrophobicContact CB-CD1 3.85Å; L364-I404 HydrophobicContact CD2-CD1 4.06Å; L397-I404 HydrophobicContact CD2-CB 3.79Å; L397-I404 HydrophobicContact CD2-CD1 4.04Å; L397-I404 HydrophobicContact CD2-CG1 4.41Å; L397-I404 HydrophobicContact CD2-CG2 4.07Å; F401-I404 HydrophobicContact CB-CD1 4.08Å; F401-I404 HydrophobicContact CD1-CD1 4.05Å; F401-I404 WeakPolarHBondContact O-CB 3.31Å; F401-I404 WeakPolarHBondContact O-CG1 3.35Å; F401-I404 PolarHBondContact O-N 3.46Å; I404-L407 HydrophobicContact CG2-CD2 3.95Å; I404-L407 HydrophobicContact CG2-CG 4.23Å; I404-L432 HydrophobicContact CG2-CD1 4.24Å; I404-T451 HydrophobicContact CD1-CG2 3.75Å; I404-T451 HydrophobicContact CG1-CG2 4.27Å; I404-T451 HydrophobicContact CG2-CG2 4.23Å
405	K	97.1	Very high	96.7	Very high	140 Å²	140	37.2 Å²	37.2	61%	0.609	20%	0.202	S	C	*	.			trans	-112.2	-17.4	-177.8	-57.2	-54.3	176.3	-164.2	0	114.2	S403 L432	S403-K405 WeakPolarHBondContact O-CE 3.36Å; S403-K405 WeakPolarHBondContact O-CG 3.38Å; S403-K405 PolarHBondContact O-N 3.12Å; K405-L432 VanDerWaalsContact C-CD1 3.46Å; K405-L432 PolarHBondContact O-N 3.17Å
406	E	97.8	Very high	95.6	Very high	56 Å²	56	39.5 Å²	39.5	26%	0.262	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.3	-176	-177.9	-178.4	88.1	0	0	110.3	Q408 P429 V430 R453	E406-Q408 PolarHBondContact OE1-NE2 3.19Å; E406-P429 HydrophobicContact CG-CB 3.58Å; E406-V430 VanDerWaalsContact CA-O 3.31Å; E406-V430 WeakPolarHBondContact CA-O 3.35Å; E406-R453 IonicContact OE1-CZ 3.21Å; E406-R453 IonicContact OE1-NH1 2.97Å; E406-R453 PolarHBondContact OE1-NH1 3.08Å; E406-R453 VanDerWaalsContact OE1-NH1 3.12Å; E406-R453 IonicContact OE1-NH2 2.7Å; E406-R453 PolarHBondContact OE1-NH2 3.16Å
407	L	98.7	Very high	94.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.3	171.5	-66.5	169.3	0	0	0	109.7	I404 P429 V430 L432 F437 L449 T451	I404-L407 HydrophobicContact CG2-CD2 3.95Å; I404-L407 HydrophobicContact CG2-CG 4.23Å; L407-P429 CarbonylContact O-C 3.55Å; L407-P429 VanDerWaalsContact O-CA 3.23Å; L407-P429 WeakPolarHBondContact O-CA 3.08Å; L407-P429 WeakPolarHBondContact O-CB 3.18Å; L407-V430 PolarHBondContact N-O 3.18Å; L407-V430 PolarHBondContact O-N 3.03Å; L407-L432 HydrophobicContact CD1-CD1 4.43Å; L407-L432 HydrophobicContact CG-CD1 4.24Å; L407-F437 HydrophobicContact CD1-CD1 4.22Å; L407-F437 HydrophobicContact CD1-CE1 3.68Å; L407-F437 HydrophobicContact CD1-CZ 4.3Å; L407-L449 HydrophobicContact CB-CB 4.33Å; L407-L449 HydrophobicContact CD1-CB 4.18Å; L407-T451 HydrophobicContact CD2-CG2 3.83Å
408	Q	98.8	Very high	93.2	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.047	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	146.6	167.1	-53.7	-54	-72	0	0	109.1	E406 L449 T450 I452 R453	E406-Q408 PolarHBondContact OE1-NE2 3.19Å; Q408-L449 VanDerWaalsContact O-CA 3.28Å; Q408-L449 WeakPolarHBondContact O-CA 3.38Å; Q408-T450 HydrophobicContact CB-CG2 4.31Å; Q408-T450 WeakPolarHBondContact CB-O 3.23Å; Q408-T450 PolarHBondContact N-O 2.71Å; Q408-T450 PolarHBondContact O-N 3.01Å; Q408-I452 WeakPolarHBondContact CG-O 3.43Å; Q408-R453 HydrophobicContact CG-CG 4.1Å; Q408-R453 VanDerWaalsContact NE2-NH1 3.19Å
409	V	98.8	Very high	92.2	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.1	-176.5	-174.7	0	0	0	0	110.7	L427 V430 Y447 T448 L449	V409-L427 HydrophobicContact CB-CB 4.13Å; V409-L427 HydrophobicContact CG1-CB 4.1Å; V409-L427 HydrophobicContact CG1-CD1 4.17Å; V409-L427 PolarHBondContact O-N 3.09Å; V409-V430 HydrophobicContact CG2-CB 4.11Å; V409-V430 HydrophobicContact CG2-CG2 3.66Å; V409-Y447 HydrophobicContact CG1-CD1 4.11Å; V409-T448 WeakPolarHBondContact CA-O 3.33Å; V409-L449 HydrophobicContact CG2-CD2 4.04Å; V409-L449 HydrophobicContact CG2-CG 4.25Å
410	W	98.9	Very high	91.3	Very high	9 Å²	9	58.9 Å²	58.9	3%	0.034	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.4	172.4	-63.9	81.5	0	0	0	109.2	F334 F424 E425 K426 Y447 T448 G455 K457	F334-W410 AromaticContact CE1-CD1 3.88Å; F334-W410 AromaticContact CE1-NE1 3.55Å; F334-W410 HydrophobicContact CE2-CG 4.19Å; F334-W410 AromaticContact CZ-CD1 3.34Å; F334-W410 AromaticContact CZ-CD2 3.91Å; F334-W410 HydrophobicContact CZ-CD2 3.91Å; F334-W410 AromaticContact CZ-CE2 3.68Å; F334-W410 AromaticContact CZ-CG 3.73Å; F334-W410 HydrophobicContact CZ-CG 3.73Å; F334-W410 HydrophobicContact CZ-CZ2 4.44Å; F334-W410 AromaticContact CZ-NE1 3.29Å; F334-W410 VanDerWaalsContact CZ-NE1 3.29Å; W410-F424 HydrophobicContact CB-CE2 4.36Å; W410-F424 HydrophobicContact CD2-CE1 4.35Å; W410-F424 HydrophobicContact CD2-CE2 4.43Å; W410-F424 HydrophobicContact CD2-CZ 4.2Å; W410-F424 AromaticContact CE3-CD1 3.72Å; W410-F424 HydrophobicContact CE3-CD1 3.72Å; W410-F424 HydrophobicContact CE3-CD2 4.24Å; W410-F424 AromaticContact CE3-CE1 3.68Å; W410-F424 HydrophobicContact CE3-CE1 3.68Å; W410-F424 HydrophobicContact CE3-CE2 4.19Å; W410-F424 HydrophobicContact CE3-CG 4Å; W410-F424 AromaticContact CE3-CZ 3.93Å; W410-F424 HydrophobicContact CE3-CZ 3.93Å; W410-F424 HydrophobicContact CH2-CE1 4.39Å; W410-F424 AromaticContact CZ3-CD1 3.73Å; W410-F424 HydrophobicContact CZ3-CD1 3.73Å; W410-F424 AromaticContact CZ3-CE1 3.69Å; W410-F424 HydrophobicContact CZ3-CE1 3.69Å; W410-F424 HydrophobicContact CZ3-CG 4.42Å; W410-F424 HydrophobicContact CZ3-CZ 4.35Å; W410-E425 CarbonylContact C-O 3.59Å; W410-E425 VanDerWaalsContact CA-O 3.31Å; W410-E425 WeakPolarHBondContact CA-O 3.38Å; W410-K426 HydrophobicContact CD2-CB 4.25Å; W410-K426 HydrophobicContact CD2-CG 4.39Å; W410-K426 HydrophobicContact CE3-CB 3.98Å; W410-K426 HydrophobicContact CH2-CB 3.83Å; W410-K426 HydrophobicContact CH2-CD 3.95Å; W410-K426 HydrophobicContact CH2-CG 4.14Å; W410-K426 HydrophobicContact CZ2-CB 4.09Å; W410-K426 HydrophobicContact CZ2-CD 3.69Å; W410-K426 HydrophobicContact CZ2-CG 3.9Å; W410-K426 HydrophobicContact CZ3-CB 3.78Å; W410-K426 HydrophobicContact CZ3-CG 4.48Å; W410-Y447 CarbonylContact O-C 3.57Å; W410-Y447 VanDerWaalsContact O-CA 3.28Å; W410-Y447 WeakPolarHBondContact O-CA 3.42Å; W410-T448 PolarHBondContact N-O 2.86Å; W410-T448 PolarHBondContact O-N 2.72Å; W410-G455 VanDerWaalsContact CH2-C 3.46Å; W410-G455 VanDerWaalsContact CH2-O 3.31Å; W410-G455 WeakPolarHBondContact CH2-O 3.49Å; W410-G455 WeakPolarHBondContact CZ2-O 3.45Å; W410-K457 HydrophobicContact CZ3-CB 4.46Å
411	R	98.6	Very high	90.8	Very high	59 Å²	59	60.4 Å²	60.4	22%	0.223	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.2	-178.4	-174.2	-174	61.4	175	-3.7	112.3	F424 E425 L427 E445 V446 Y447	R411-F424 CarbonylContact O-C 3.53Å; R411-F424 PolarHBondContact O-N 3.36Å; R411-E425 IonicContact CZ-OE2 2.83Å; R411-E425 PolarHBondContact N-O 3.13Å; R411-E425 IonicContact NE-OE2 3.1Å; R411-E425 IonicContact NH2-OE2 3.35Å; R411-E425 PolarHBondContact NH2-OE2 3.33Å; R411-E425 PolarHBondContact O-N 2.87Å; R411-L427 HydrophobicContact CB-CD1 3.74Å; R411-L427 HydrophobicContact CB-CG 4.2Å; R411-L427 HydrophobicContact CG-CD1 4.49Å; R411-E445 IonicContact NH1-OE1 3.9Å; R411-V446 CarbonylContact C-O 3.57Å; R411-V446 VanDerWaalsContact CA-O 3.26Å; R411-V446 WeakPolarHBondContact CA-O 3.42Å; R411-Y447 HydrophobicContact CB-CD1 3.98Å; R411-Y447 HydrophobicContact CB-CE1 3.91Å; R411-Y447 VanDerWaalsContact CD-CE1 3.48Å; R411-Y447 VanDerWaalsContact CD-CZ 3.46Å; R411-Y447 VanDerWaalsContact CD-OH 3.28Å; R411-Y447 WeakPolarHBondContact CD-OH 3.31Å; R411-Y447 HydrophobicContact CG-CD1 3.97Å; R411-Y447 HydrophobicContact CG-CE1 3.6Å; R411-Y447 HydrophobicContact CG-CE2 4.3Å; R411-Y447 HydrophobicContact CG-CG 4.47Å
412	S	98.5	Very high	90.6	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.9	157.3	-60.5	0	0	0	0	110.1	H330 S422 F424 E445 V446	H330-S412 PolarHBondContact CD2-OG 3.03Å; H330-S412 WeakPolarHBondContact NE2-CB 3.15Å; H330-S412 PolarHBondContact NE2-N 3.3Å; H330-S412 PolarHBondContact NE2-OG 2.82Å; S412-S422 CarbonylContact C-O 3.54Å; S412-S422 WeakPolarHBondContact CA-O 3.41Å; S412-F424 PolarHBondContact OG-N 3.45Å; S412-E445 CarbonylContact O-C 3.54Å; S412-E445 WeakPolarHBondContact O-CA 3.48Å; S412-V446 PolarHBondContact N-O 3.28Å; S412-V446 PolarHBondContact O-N 2.66Å
413	H	96.4	Very high	90.6	Very high	48 Å²	48	60.4 Å²	60.4	22%	0.222	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	127.5	176.8	173.4	-123.5	0	0	0	109.9	H421 S422 E445	H413-H421 VanDerWaalsContact O-CA 3.29Å; H413-H421 WeakPolarHBondContact O-CA 3.27Å; H413-S422 PolarHBondContact N-O 2.65Å; H413-S422 PolarHBondContact O-N 3.01Å; H413-E445 HydrophobicContact CB-CG 4.14Å; H413-E445 VanDerWaalsContact CD2-CG 3.49Å; H413-E445 WeakPolarHBondContact CD2-CG 3.31Å
414	F	93	Very high	90.8	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.022	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	88.4	178.5	-57	-86.6	0	0	0	110.3	D266 I327 M371 L416 L423 D444	D266-F414 HydrophobicContact CB-CD1 3.77Å; D266-F414 HydrophobicContact CB-CE1 4.23Å; I327-F414 HydrophobicContact CD1-CE2 3.89Å; I327-F414 HydrophobicContact CD1-CZ 3.67Å; I327-F414 HydrophobicContact CG1-CE2 4.45Å; I327-F414 HydrophobicContact CG1-CZ 3.83Å; M371-F414 HydrophobicContact CE-CD2 4.24Å; M371-F414 HydrophobicContact CE-CE2 4.3Å; M371-F414 HydrophobicContact SD-CD2 4.1Å; M371-F414 HydrophobicContact SD-CE2 3.98Å; F414-L416 VanDerWaalsContact C-N 3.26Å; F414-L416 HydrophobicContact CB-CD1 4.48Å; F414-L416 HydrophobicContact CB-CG 4.43Å; F414-L416 PolarHBondContact O-N 3.02Å; F414-L423 HydrophobicContact CD1-CD2 4.41Å; F414-L423 HydrophobicContact CE1-CD2 3.91Å; F414-L423 HydrophobicContact CZ-CD2 4.27Å; F414-D444 HydrophobicContact CB-CB 4.13Å; F414-D444 PolarHBondContact N-O 3.5Å
415	D	83.7	Confident	90.8	Very high	56 Å²	56	59.2 Å²	59.2	30%	0.299	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	77.5	172.3	-168.8	-13.6	0	0	0	110.1	K417 A418 K419 K420	D415-K417 PolarHBondContact O-N 3.36Å; D415-K417 PolarHBondContact OD1-N 2.69Å; D415-A418 HydrophobicContact CB-CB 4.27Å; D415-A418 CarbonylContact O-C 3.57Å; D415-A418 PolarHBondContact O-N 2.83Å; D415-A418 WeakPolarHBondContact OD1-CB 3.39Å; D415-A418 PolarHBondContact OD1-N 2.77Å; D415-A418 WeakPolarHBondContact OD2-CB 3.29Å; D415-K419 WeakPolarHBondContact O-CA 3.47Å; D415-K419 PolarHBondContact O-N 2.83Å; D415-K420 CarbonylContact C-O 3.53Å; D415-K420 VanDerWaalsContact CA-O 3.23Å; D415-K420 WeakPolarHBondContact CA-O 3Å; D415-K420 WeakPolarHBondContact CB-O 3.04Å; D415-K420 PolarHBondContact N-O 3.03Å; D415-K420 PolarHBondContact O-N 3.49Å
416	L	75.1	Confident	90.9	Very high	48 Å²	48	57.7 Å²	57.7	25%	0.251	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.6	179.5	-75.4	161.2	0	0	0	112.4	D266 H375 F414 K419	D266-L416 HydrophobicContact CB-CD2 3.77Å; H375-L416 HydrophobicContact CB-CD1 3.49Å; H375-L416 VanDerWaalsContact CB-CD1 3.49Å; H375-L416 VanDerWaalsContact CD2-CD1 3.4Å; H375-L416 WeakPolarHBondContact CD2-CD1 3.02Å; H375-L416 WeakPolarHBondContact ND1-CD1 3.26Å; F414-L416 VanDerWaalsContact C-N 3.26Å; F414-L416 HydrophobicContact CB-CD1 4.48Å; F414-L416 HydrophobicContact CB-CG 4.43Å; F414-L416 PolarHBondContact O-N 3.02Å; L416-K419 PolarHBondContact O-N 2.84Å
417	K	73.8	Confident	90.9	Very high	185 Å²	185	56.7 Å²	56.7	80%	0.804	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-43.7	175.2	-69.9	176.4	-176.1	161.7	0	111.2	D415 K419	D415-K417 PolarHBondContact O-N 3.36Å; D415-K417 PolarHBondContact OD1-N 2.69Å; K417-K419 VanDerWaalsContact C-N 3.32Å
418	A	73.1	Confident	90.9	Very high	52 Å²	52	61.8 Å²	61.8	43%	0.43	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.5	176.8	0	0	0	0	0	113.7	D415 K420	D415-A418 HydrophobicContact CB-CB 4.27Å; D415-A418 CarbonylContact O-C 3.57Å; D415-A418 PolarHBondContact O-N 2.83Å; D415-A418 WeakPolarHBondContact OD1-CB 3.39Å; D415-A418 PolarHBondContact OD1-N 2.77Å; D415-A418 WeakPolarHBondContact OD2-CB 3.29Å; A418-K420 HydrophobicContact CB-CB 4.47Å; A418-K420 PolarHBondContact O-N 3.06Å
419	K	74.9	Confident	90.9	Very high	190 Å²	190	63.9 Å²	63.9	83%	0.826	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.4	-170.1	-60	-172.5	177.9	-170.8	0	112	D415 L416 K417	D415-K419 WeakPolarHBondContact O-CA 3.47Å; D415-K419 PolarHBondContact O-N 2.83Å; L416-K419 PolarHBondContact O-N 2.84Å; K417-K419 VanDerWaalsContact C-N 3.32Å
420	K	78	Confident	90.8	Very high	154 Å²	154	65.3 Å²	65.3	67%	0.67	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.6	177.4	-71.8	-178.1	-178.8	-179.4	0	108.3	D415 A418	D415-K420 CarbonylContact C-O 3.53Å; D415-K420 VanDerWaalsContact CA-O 3.23Å; D415-K420 WeakPolarHBondContact CA-O 3Å; D415-K420 WeakPolarHBondContact CB-O 3.04Å; D415-K420 PolarHBondContact N-O 3.03Å; D415-K420 PolarHBondContact O-N 3.49Å; A418-K420 HydrophobicContact CB-CB 4.47Å; A418-K420 PolarHBondContact O-N 3.06Å
421	H	85.4	Confident	90.7	Very high	97 Å²	97	72.3 Å²	72.3	45%	0.449	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.8	167.4	48.8	-120.8	0	0	0	109.8	D266 H413 L423	D266-H421 IonicContact OD1-CE1 2.82Å; D266-H421 IonicContact OD1-CG 3.54Å; D266-H421 IonicContact OD1-ND1 3.79Å; D266-H421 PolarHBondContact OD1-ND1 3.15Å; D266-H421 VanDerWaalsContact OD1-ND1 3.12Å; D266-H421 IonicContact OD2-CE1 2.74Å; D266-H421 IonicContact OD2-CG 3.1Å; D266-H421 IonicContact OD2-ND1 3.7Å; D266-H421 PolarHBondContact OD2-ND1 3.27Å; H413-H421 VanDerWaalsContact O-CA 3.29Å; H413-H421 WeakPolarHBondContact O-CA 3.27Å; H421-L423 HydrophobicContact CB-CD2 4.2Å; H421-L423 HydrophobicContact CB-CG 4.21Å
422	S	93.9	Very high	90.6	Very high	35 Å²	35	70.6 Å²	70.6	25%	0.245	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.7	160.9	56.8	0	0	0	0	107.2	S412 H413	S412-S422 CarbonylContact C-O 3.54Å; S412-S422 WeakPolarHBondContact CA-O 3.41Å; H413-S422 PolarHBondContact N-O 2.65Å; H413-S422 PolarHBondContact O-N 3.01Å
423	L	96.8	Very high	90.3	Very high	13 Å²	13	75.2 Å²	75.2	7%	0.068	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.2	-174.7	-59.7	173.1	0	0	0	109.8	W326 F414 H421 E425 K457	W326-L423 HydrophobicContact CB-CB 3.95Å; W326-L423 HydrophobicContact CG-CB 3.92Å; F414-L423 HydrophobicContact CD1-CD2 4.41Å; F414-L423 HydrophobicContact CE1-CD2 3.91Å; F414-L423 HydrophobicContact CZ-CD2 4.27Å; H421-L423 HydrophobicContact CB-CD2 4.2Å; H421-L423 HydrophobicContact CB-CG 4.21Å; L423-E425 VanDerWaalsContact C-N 3.3Å; L423-E425 PolarHBondContact O-N 3.32Å; L423-K457 WeakPolarHBondContact O-CE 3.44Å; L423-K457 PolarHBondContact O-NZ 2.89Å
424	F	98.4	Very high	90	Very high	1 Å²	1	80 Å²	80	0%	0.004	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	50.2	44.6	174.6	-149.9	-121	0	0	0	114.5	W326 A329 H330 Q333 F334 W410 R411 S412 K457	W326-F424 HydrophobicContact CB-CB 4.07Å; W326-F424 HydrophobicContact CD2-CB 4.1Å; W326-F424 HydrophobicContact CE3-CB 3.71Å; W326-F424 AromaticContact CE3-CD1 3.83Å; W326-F424 HydrophobicContact CE3-CD1 3.83Å; W326-F424 AromaticContact CE3-CG 3.93Å; W326-F424 HydrophobicContact CE3-CG 3.93Å; W326-F424 HydrophobicContact CG-CB 4.26Å; W326-F424 HydrophobicContact CZ3-CD1 4.08Å; A329-F424 HydrophobicContact CB-CD1 4.35Å; A329-F424 HydrophobicContact CB-CD2 4.04Å; A329-F424 HydrophobicContact CB-CE1 4.01Å; A329-F424 HydrophobicContact CB-CE2 3.68Å; A329-F424 HydrophobicContact CB-CG 4.37Å; A329-F424 HydrophobicContact CB-CZ 3.65Å; H330-F424 AromaticContact CD2-CD2 3.74Å; H330-F424 AromaticContact NE2-CD2 3.74Å; Q333-F424 HydrophobicContact CB-CZ 4.47Å; Q333-F424 HydrophobicContact CG-CZ 4.33Å; F334-F424 AromaticContact CE2-CE2 3.79Å; F334-F424 HydrophobicContact CE2-CE2 3.79Å; F334-F424 AromaticContact CE2-CZ 3.58Å; F334-F424 HydrophobicContact CE2-CZ 3.58Å; F334-F424 HydrophobicContact CZ-CE2 4.31Å; F334-F424 AromaticContact CZ-CZ 3.76Å; F334-F424 HydrophobicContact CZ-CZ 3.76Å; W410-F424 HydrophobicContact CB-CE2 4.36Å; W410-F424 HydrophobicContact CD2-CE1 4.35Å; W410-F424 HydrophobicContact CD2-CE2 4.43Å; W410-F424 HydrophobicContact CD2-CZ 4.2Å; W410-F424 AromaticContact CE3-CD1 3.72Å; W410-F424 HydrophobicContact CE3-CD1 3.72Å; W410-F424 HydrophobicContact CE3-CD2 4.24Å; W410-F424 AromaticContact CE3-CE1 3.68Å; W410-F424 HydrophobicContact CE3-CE1 3.68Å; W410-F424 HydrophobicContact CE3-CE2 4.19Å; W410-F424 HydrophobicContact CE3-CG 4Å; W410-F424 AromaticContact CE3-CZ 3.93Å; W410-F424 HydrophobicContact CE3-CZ 3.93Å; W410-F424 HydrophobicContact CH2-CE1 4.39Å; W410-F424 AromaticContact CZ3-CD1 3.73Å; W410-F424 HydrophobicContact CZ3-CD1 3.73Å; W410-F424 AromaticContact CZ3-CE1 3.69Å; W410-F424 HydrophobicContact CZ3-CE1 3.69Å; W410-F424 HydrophobicContact CZ3-CG 4.42Å; W410-F424 HydrophobicContact CZ3-CZ 4.35Å; R411-F424 CarbonylContact O-C 3.53Å; R411-F424 PolarHBondContact O-N 3.36Å; S412-F424 PolarHBondContact OG-N 3.45Å; F424-K457 HydrophobicContact CB-CD 4.32Å; F424-K457 HydrophobicContact CB-CG 4.41Å; F424-K457 HydrophobicContact CD1-CB 3.94Å; F424-K457 HydrophobicContact CD1-CG 4.26Å
425	E	98.1	Very high	90.1	Very high	82 Å²	82	80.4 Å²	80.4	38%	0.383	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.9	177.6	-173.7	-175.8	-168	0	0	110.4	W410 R411 L423 L427	W410-E425 CarbonylContact C-O 3.59Å; W410-E425 VanDerWaalsContact CA-O 3.31Å; W410-E425 WeakPolarHBondContact CA-O 3.38Å; R411-E425 IonicContact CZ-OE2 2.83Å; R411-E425 PolarHBondContact N-O 3.13Å; R411-E425 IonicContact NE-OE2 3.1Å; R411-E425 IonicContact NH2-OE2 3.35Å; R411-E425 PolarHBondContact NH2-OE2 3.33Å; R411-E425 PolarHBondContact O-N 2.87Å; L423-E425 VanDerWaalsContact C-N 3.3Å; L423-E425 PolarHBondContact O-N 3.32Å; E425-L427 HydrophobicContact CG-CD2 3.99Å; E425-L427 PolarHBondContact O-N 3.23Å
426	K	98.3	Very high	90.7	Very high	107 Å²	107	79.1 Å²	79.1	47%	0.465	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.9	171.8	-169.7	176.3	-175	171.3	0	110	W410	W410-K426 HydrophobicContact CD2-CB 4.25Å; W410-K426 HydrophobicContact CD2-CG 4.39Å; W410-K426 HydrophobicContact CE3-CB 3.98Å; W410-K426 HydrophobicContact CH2-CB 3.83Å; W410-K426 HydrophobicContact CH2-CD 3.95Å; W410-K426 HydrophobicContact CH2-CG 4.14Å; W410-K426 HydrophobicContact CZ2-CB 4.09Å; W410-K426 HydrophobicContact CZ2-CD 3.69Å; W410-K426 HydrophobicContact CZ2-CG 3.9Å; W410-K426 HydrophobicContact CZ3-CB 3.78Å; W410-K426 HydrophobicContact CZ3-CG 4.48Å
427	L	98.3	Very high	91.8	Very high	36 Å²	36	77.2 Å²	77.2	19%	0.188	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	165.9	177.7	-60.2	-175	0	0	0	111.3	V409 R411 E425 Y447	V409-L427 HydrophobicContact CB-CB 4.13Å; V409-L427 HydrophobicContact CG1-CB 4.1Å; V409-L427 HydrophobicContact CG1-CD1 4.17Å; V409-L427 PolarHBondContact O-N 3.09Å; R411-L427 HydrophobicContact CB-CD1 3.74Å; R411-L427 HydrophobicContact CB-CG 4.2Å; R411-L427 HydrophobicContact CG-CD1 4.49Å; E425-L427 HydrophobicContact CG-CD2 3.99Å; E425-L427 PolarHBondContact O-N 3.23Å; L427-Y447 HydrophobicContact CD1-CE1 4.28Å
428	P	98.1	Very high	92.9	Very high	106 Å²	106	72.2 Å²	72.2	69%	0.688	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.4	138.5	171.4	-26.7	36.1	0	0	0	111.8
429	P	98	Very high	94	Very high	54 Å²	54	70.6 Å²	70.6	35%	0.351	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	142.8	176.4	-25.1	34.3	0	0	0	112.4	E406 L407	E406-P429 HydrophobicContact CG-CB 3.58Å; L407-P429 CarbonylContact O-C 3.55Å; L407-P429 VanDerWaalsContact O-CA 3.23Å; L407-P429 WeakPolarHBondContact O-CA 3.08Å; L407-P429 WeakPolarHBondContact O-CB 3.18Å
430	V	97.8	Very high	95	Very high	34 Å²	34	66.7 Å²	66.7	21%	0.206	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125	175.2	165.9	0	0	0	0	109	E406 L407 V409 F437	E406-V430 VanDerWaalsContact CA-O 3.31Å; E406-V430 WeakPolarHBondContact CA-O 3.35Å; L407-V430 PolarHBondContact N-O 3.18Å; L407-V430 PolarHBondContact O-N 3.03Å; V409-V430 HydrophobicContact CG2-CB 4.11Å; V409-V430 HydrophobicContact CG2-CG2 3.66Å; V430-F437 HydrophobicContact CG1-CB 3.48Å; V430-F437 VanDerWaalsContact CG1-CB 3.48Å; V430-F437 HydrophobicContact CG1-CD2 4.26Å; V430-F437 HydrophobicContact CG1-CG 3.91Å
431	K	96.9	Very high	95.9	Very high	157 Å²	157	59.4 Å²	59.4	68%	0.683	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.3	172.5	-66	-177	-179.4	179.8	0	109.6
432	L	95.4	Very high	96.4	Very high	22 Å²	22	56.2 Å²	56.2	12%	0.115	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-83.3	133.9	179.7	-71.5	84.8	0	0	0	110.5	L397 I404 K405 L407 S436 F437	L397-L432 HydrophobicContact CB-CD2 4.32Å; L397-L432 HydrophobicContact CD1-CD2 3.73Å; L397-L432 HydrophobicContact CD2-CD2 3.55Å; L397-L432 HydrophobicContact CG-CD2 4.06Å; I404-L432 HydrophobicContact CG2-CD1 4.24Å; K405-L432 VanDerWaalsContact C-CD1 3.46Å; K405-L432 PolarHBondContact O-N 3.17Å; L407-L432 HydrophobicContact CD1-CD1 4.43Å; L407-L432 HydrophobicContact CG-CD1 4.24Å; L432-S436 WeakPolarHBondContact CA-O 3.3Å; L432-F437 HydrophobicContact CD2-CD1 4.42Å; L432-F437 HydrophobicContact CG-CD1 4.34Å
433	V	93.2	Very high	96.6	Very high	98 Å²	98	57.8 Å²	57.8	59%	0.594	32%	0.316	S	S	*	.	B	Isolated β-bridge	trans	-110.3	121.3	172.1	-177.4	0	0	0	0	107	G435 S436	V433-G435 PolarHBondContact O-N 3.14Å; V433-S436 PolarHBondContact N-O 2.83Å; V433-S436 PolarHBondContact O-N 3.39Å; V433-S436 PolarHBondContact O-OG 2.97Å
434	D	90.8	Very high	96.6	Very high	149 Å²	149	57.6 Å²	57.6	80%	0.797	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	37	-175.7	-56.2	-36.4	0	0	0	114	Q396 S436	Q396-D434 PolarHBondContact NE2-O 2.92Å; D434-S436 PolarHBondContact O-N 3.04Å
435	G	94.2	Very high	96.6	Very high	12 Å²	12	58 Å²	58	12%	0.124	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	14.7	-178.2	0	0	0	0	0	114	Q396 L397 V433	Q396-G435 VanDerWaalsContact NE2-C 3.34Å; Q396-G435 PolarHBondContact NE2-O 2.87Å; L397-G435 PolarHBondContact N-O 3.29Å; V433-G435 PolarHBondContact O-N 3.14Å
436	S	96.7	Very high	96.6	Very high	29 Å²	29	54.3 Å²	54.3	20%	0.203	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	158.8	-178.1	75.8	0	0	0	0	112.8	F395 L432 V433 D434	F395-S436 CarbonylContact O-C 3.48Å; F395-S436 WeakPolarHBondContact O-CA 3.37Å; F395-S436 WeakPolarHBondContact O-CB 3.48Å; L432-S436 WeakPolarHBondContact CA-O 3.3Å; V433-S436 PolarHBondContact N-O 2.83Å; V433-S436 PolarHBondContact O-N 3.39Å; V433-S436 PolarHBondContact O-OG 2.97Å; D434-S436 PolarHBondContact O-N 3.04Å
437	F	96.8	Very high	96.7	Very high	9 Å²	9	50 Å²	50	4%	0.039	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.9	165.5	67.5	-91.4	0	0	0	110.4	T394 F395 L397 L407 V430 L432 L439 L449	T394-F437 CarbonylContact C-O 3.45Å; T394-F437 WeakPolarHBondContact CA-O 3.37Å; F395-F437 HydrophobicContact CB-CD1 4.1Å; F395-F437 HydrophobicContact CB-CD2 4.4Å; F395-F437 HydrophobicContact CB-CE1 3.55Å; F395-F437 HydrophobicContact CB-CE2 3.87Å; F395-F437 HydrophobicContact CB-CZ 3.41Å; F395-F437 VanDerWaalsContact CB-CZ 3.41Å; F395-F437 HydrophobicContact CD2-CD2 4.21Å; F395-F437 AromaticContact CD2-CE2 3.39Å; F395-F437 HydrophobicContact CD2-CE2 3.39Å; F395-F437 AromaticContact CD2-CZ 3.61Å; F395-F437 HydrophobicContact CD2-CZ 3.61Å; F395-F437 HydrophobicContact CE2-CE2 4.19Å; F395-F437 HydrophobicContact CG-CE1 4.26Å; F395-F437 AromaticContact CG-CE2 3.88Å; F395-F437 HydrophobicContact CG-CE2 3.88Å; F395-F437 AromaticContact CG-CZ 3.61Å; F395-F437 HydrophobicContact CG-CZ 3.61Å; F395-F437 PolarHBondContact N-O 2.86Å; F395-F437 PolarHBondContact O-N 3.18Å; L397-F437 HydrophobicContact CD1-CD1 4.15Å; L397-F437 HydrophobicContact CD1-CE1 3.84Å; L407-F437 HydrophobicContact CD1-CD1 4.22Å; L407-F437 HydrophobicContact CD1-CE1 3.68Å; L407-F437 HydrophobicContact CD1-CZ 4.3Å; V430-F437 HydrophobicContact CG1-CB 3.48Å; V430-F437 VanDerWaalsContact CG1-CB 3.48Å; V430-F437 HydrophobicContact CG1-CD2 4.26Å; V430-F437 HydrophobicContact CG1-CG 3.91Å; L432-F437 HydrophobicContact CD2-CD1 4.42Å; L432-F437 HydrophobicContact CG-CD1 4.34Å; F437-L439 HydrophobicContact CD2-CD2 4.45Å; F437-L439 HydrophobicContact CD2-CG 4.06Å; F437-L439 HydrophobicContact CE2-CD1 3.98Å; F437-L439 HydrophobicContact CE2-CG 3.98Å; F437-L449 HydrophobicContact CD2-CD2 4.11Å; F437-L449 HydrophobicContact CE1-CD2 4.49Å; F437-L449 HydrophobicContact CE2-CD2 3.49Å; F437-L449 VanDerWaalsContact CE2-CD2 3.49Å; F437-L449 HydrophobicContact CZ-CD2 3.71Å
438	T	96.8	Very high	96.7	Very high	80 Å²	80	48.3 Å²	48.3	49%	0.491	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135	177.6	-56.7	0	0	0	0	109.9	N392 A393 T394	N392-T438 HydrophobicContact CB-CG2 4.23Å; A393-T438 WeakPolarHBondContact O-CA 3.19Å; T394-T438 PolarHBondContact OG1-OG1 3.43Å
439	L	96.9	Very high	96.7	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.094	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.2	171	-61.4	175.7	0	0	0	109.6	I368 N392 A393 F437 L441 L449	I368-L439 HydrophobicContact CD1-CD1 3.86Å; N392-L439 WeakPolarHBondContact CA-O 3.35Å; A393-L439 PolarHBondContact N-O 2.87Å; A393-L439 PolarHBondContact O-N 3.03Å; F437-L439 HydrophobicContact CD2-CD2 4.45Å; F437-L439 HydrophobicContact CD2-CG 4.06Å; F437-L439 HydrophobicContact CE2-CD1 3.98Å; F437-L439 HydrophobicContact CE2-CG 3.98Å; L439-L441 HydrophobicContact CB-CD2 3.75Å; L439-L441 HydrophobicContact CB-CG 4.35Å; L439-L441 HydrophobicContact CD1-CD2 4.16Å; L439-L449 HydrophobicContact CD1-CD1 3.73Å; L439-L449 HydrophobicContact CD1-CD2 4.1Å
440	N	97.1	Very high	96.8	Very high	107 Å²	107	40.7 Å²	40.7	57%	0.572	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	109.1	163.4	-177.1	2.9	0	0	0	107.1	N392	N392-N440 WeakPolarHBondContact OD1-CA 3.15Å; N392-N440 WeakPolarHBondContact OD1-CB 3.49Å
441	L	97	Very high	96.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.9	-177.1	-54.9	178.3	0	0	0	108.7	F348 I368 T370 S390 Q391 A393 L439 Y447	F348-L441 HydrophobicContact CD2-CD1 4.29Å; F348-L441 HydrophobicContact CE1-CD1 4.16Å; F348-L441 HydrophobicContact CE2-CD1 3.87Å; F348-L441 HydrophobicContact CZ-CD1 3.77Å; I368-L441 HydrophobicContact CG2-CD1 4.09Å; I368-L441 HydrophobicContact CG2-CD2 4.14Å; T370-L441 HydrophobicContact CG2-CB 4.01Å; T370-L441 HydrophobicContact CG2-CD1 4.19Å; S390-L441 CarbonylContact C-O 3.52Å; S390-L441 WeakPolarHBondContact CA-O 3.42Å; Q391-L441 HydrophobicContact CG-CB 4.38Å; Q391-L441 PolarHBondContact N-O 3.22Å; Q391-L441 PolarHBondContact O-N 2.96Å; A393-L441 HydrophobicContact CB-CD1 3.7Å; A393-L441 HydrophobicContact CB-CG 4.29Å; L439-L441 HydrophobicContact CB-CD2 3.75Å; L439-L441 HydrophobicContact CB-CG 4.35Å; L439-L441 HydrophobicContact CD1-CD2 4.16Å; L441-Y447 HydrophobicContact CD2-CD2 3.99Å; L441-Y447 HydrophobicContact CD2-CE2 3.91Å
442	A	95.9	Very high	96.9	Very high	31 Å²	31	34.2 Å²	34.2	26%	0.256	20%	0.195	S	C	.	.			trans	-83.8	175.4	169.2	0	0	0	0	0	110.9	T370 E445	T370-A442 VanDerWaalsContact CB-O 3.3Å; T370-A442 WeakPolarHBondContact CB-O 3.34Å; T370-A442 PolarHBondContact OG1-O 3.05Å; A442-E445 HydrophobicContact CB-CG 4.11Å; A442-E445 PolarHBondContact N-OE2 2.97Å
443	E	96.8	Very high	97	Very high	67 Å²	67	40.6 Å²	40.6	31%	0.313	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	149.4	169.3	-73.2	161.9	-144.1	0	0	110.1	T372 V388 E445	T372-E443 HydrophobicContact CG2-CB 3.67Å; T372-E443 HydrophobicContact CG2-CG 3.78Å; V388-E443 HydrophobicContact CG1-CG 4.3Å; E443-E445 VanDerWaalsContact C-N 3.31Å; E443-E445 PolarHBondContact O-N 2.7Å
444	D	97.6	Very high	97.2	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.053	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	38.6	174	-53.4	-42.4	0	0	0	114.5	T370 T372 H375 F414	T370-D444 PolarHBondContact O-N 2.94Å; T372-D444 VanDerWaalsContact CB-OD1 3.32Å; T372-D444 WeakPolarHBondContact CB-OD1 2.9Å; T372-D444 WeakPolarHBondContact CG2-OD1 3.31Å; T372-D444 PolarHBondContact N-OD1 3.46Å; T372-D444 PolarHBondContact OG1-OD1 2.93Å; T372-D444 PolarHBondContact OG1-OD2 2.9Å; H375-D444 IonicContact CE1-OD2 3.93Å; H375-D444 IonicContact CG-OD2 3.74Å; H375-D444 IonicContact ND1-OD1 2.99Å; H375-D444 IonicContact ND1-OD2 3.92Å; H375-D444 PolarHBondContact ND1-OD2 2.74Å; F414-D444 HydrophobicContact CB-CB 4.13Å; F414-D444 PolarHBondContact N-O 3.5Å
445	E	98.1	Very high	97.5	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147.5	173.8	-66.5	-169.4	130.9	0	0	112.4	E369 T370 M371 R411 S412 H413 A442 E443 Y447	E369-E445 WeakPolarHBondContact CA-O 3.26Å; T370-E445 PolarHBondContact N-O 2.88Å; T370-E445 PolarHBondContact OG1-N 3.22Å; T370-E445 VanDerWaalsContact OG1-N 3.15Å; T370-E445 PolarHBondContact OG1-O 2.79Å; M371-E445 VanDerWaalsContact CE-C 3.46Å; M371-E445 WeakPolarHBondContact CE-O 3.12Å; R411-E445 IonicContact NH1-OE1 3.9Å; S412-E445 CarbonylContact O-C 3.54Å; S412-E445 WeakPolarHBondContact O-CA 3.48Å; H413-E445 HydrophobicContact CB-CG 4.14Å; H413-E445 VanDerWaalsContact CD2-CG 3.49Å; H413-E445 WeakPolarHBondContact CD2-CG 3.31Å; A442-E445 HydrophobicContact CB-CG 4.11Å; A442-E445 PolarHBondContact N-OE2 2.97Å; E443-E445 VanDerWaalsContact C-N 3.31Å; E443-E445 PolarHBondContact O-N 2.7Å; E445-Y447 HydrophobicContact CB-CD2 4.21Å; E445-Y447 HydrophobicContact CB-CE2 3.64Å; E445-Y447 HydrophobicContact CG-CE2 4.26Å; E445-Y447 PolarHBondContact OE1-OH 3.21Å; E445-Y447 WeakPolarHBondContact OE2-CE2 3.27Å; E445-Y447 PolarHBondContact OE2-OH 2.94Å
446	V	98.8	Very high	97.7	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.1	168.2	-175.4	0	0	0	0	108.5	A273 I327 H330 I368 E369 M371 R411 S412	A273-V446 HydrophobicContact CB-CG2 3.72Å; I327-V446 HydrophobicContact CD1-CB 4.34Å; I327-V446 HydrophobicContact CD1-CG2 3.85Å; H330-V446 HydrophobicContact CB-CG1 4.01Å; H330-V446 PolarHBondContact CE1-O 2.88Å; I368-V446 CarbonylContact O-C 3.58Å; I368-V446 VanDerWaalsContact O-CA 3.24Å; I368-V446 WeakPolarHBondContact O-CA 3.11Å; I368-V446 WeakPolarHBondContact O-CG1 2.97Å; E369-V446 HydrophobicContact CB-CG2 4.38Å; M371-V446 HydrophobicContact CE-CG2 3.58Å; M371-V446 HydrophobicContact SD-CG2 4.44Å; R411-V446 CarbonylContact C-O 3.57Å; R411-V446 VanDerWaalsContact CA-O 3.26Å; R411-V446 WeakPolarHBondContact CA-O 3.42Å; S412-V446 PolarHBondContact N-O 3.28Å; S412-V446 PolarHBondContact O-N 2.66Å
447	Y	98.9	Very high	97.8	Very high	16 Å²	16	40.6 Å²	40.6	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.2	174	-67.2	-98.1	0	0	0	111.3	V367 I368 V409 W410 R411 L427 L441 E445	V367-Y447 CarbonylContact C-O 3.6Å; V367-Y447 WeakPolarHBondContact CA-O 3.31Å; I368-Y447 PolarHBondContact N-O 3.43Å; I368-Y447 PolarHBondContact O-N 2.75Å; V409-Y447 HydrophobicContact CG1-CD1 4.11Å; W410-Y447 CarbonylContact O-C 3.57Å; W410-Y447 VanDerWaalsContact O-CA 3.28Å; W410-Y447 WeakPolarHBondContact O-CA 3.42Å; R411-Y447 HydrophobicContact CB-CD1 3.98Å; R411-Y447 HydrophobicContact CB-CE1 3.91Å; R411-Y447 VanDerWaalsContact CD-CE1 3.48Å; R411-Y447 VanDerWaalsContact CD-CZ 3.46Å; R411-Y447 VanDerWaalsContact CD-OH 3.28Å; R411-Y447 WeakPolarHBondContact CD-OH 3.31Å; R411-Y447 HydrophobicContact CG-CD1 3.97Å; R411-Y447 HydrophobicContact CG-CE1 3.6Å; R411-Y447 HydrophobicContact CG-CE2 4.3Å; R411-Y447 HydrophobicContact CG-CG 4.47Å; L427-Y447 HydrophobicContact CD1-CE1 4.28Å; L441-Y447 HydrophobicContact CD2-CD2 3.99Å; L441-Y447 HydrophobicContact CD2-CE2 3.91Å; E445-Y447 HydrophobicContact CB-CD2 4.21Å; E445-Y447 HydrophobicContact CB-CE2 3.64Å; E445-Y447 HydrophobicContact CG-CE2 4.26Å; E445-Y447 PolarHBondContact OE1-OH 3.21Å; E445-Y447 WeakPolarHBondContact OE2-CE2 3.27Å; E445-Y447 PolarHBondContact OE2-OH 2.94Å
448	T	98.9	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.6	161	-52.1	0	0	0	0	109.8	H330 F334 T365 V366 V367 V409 W410 T450	H330-T448 WeakPolarHBondContact CA-OG1 3.41Å; H330-T448 WeakPolarHBondContact CB-OG1 3.34Å; H330-T448 PolarHBondContact ND1-OG1 3.34Å; H330-T448 WeakPolarHBondContact O-CG2 3.41Å; H330-T448 PolarHBondContact O-OG1 3.23Å; F334-T448 HydrophobicContact CB-CG2 4.22Å; F334-T448 HydrophobicContact CD2-CG2 3.52Å; F334-T448 HydrophobicContact CE2-CG2 4.02Å; F334-T448 HydrophobicContact CG-CG2 3.96Å; T365-T448 HydrophobicContact CG2-CG2 3.85Å; V366-T448 CarbonylContact O-C 3.52Å; V366-T448 VanDerWaalsContact O-CA 3.31Å; V366-T448 WeakPolarHBondContact O-CA 3.44Å; V367-T448 HydrophobicContact CG2-CG2 4.22Å; V409-T448 WeakPolarHBondContact CA-O 3.33Å; W410-T448 PolarHBondContact N-O 2.86Å; W410-T448 PolarHBondContact O-N 2.72Å; T448-T450 HydrophobicContact CG2-CG2 4.41Å
449	L	98.9	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.3	172.4	-62.2	96.4	0	0	0	109.2	T365 V366 I368 L407 Q408 V409 F437 L439	T365-L449 CarbonylContact C-O 3.26Å; T365-L449 WeakPolarHBondContact CA-O 3.42Å; V366-L449 HydrophobicContact CB-CB 4.4Å; V366-L449 PolarHBondContact N-O 3.32Å; V366-L449 PolarHBondContact O-N 3.01Å; I368-L449 HydrophobicContact CD1-CD1 3.67Å; L407-L449 HydrophobicContact CB-CB 4.33Å; L407-L449 HydrophobicContact CD1-CB 4.18Å; Q408-L449 VanDerWaalsContact O-CA 3.28Å; Q408-L449 WeakPolarHBondContact O-CA 3.38Å; V409-L449 HydrophobicContact CG2-CD2 4.04Å; V409-L449 HydrophobicContact CG2-CG 4.25Å; F437-L449 HydrophobicContact CD2-CD2 4.11Å; F437-L449 HydrophobicContact CE1-CD2 4.49Å; F437-L449 HydrophobicContact CE2-CD2 3.49Å; F437-L449 VanDerWaalsContact CE2-CD2 3.49Å; F437-L449 HydrophobicContact CZ-CD2 3.71Å; L439-L449 HydrophobicContact CD1-CD1 3.73Å; L439-L449 HydrophobicContact CD1-CD2 4.1Å
450	T	98.9	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150.4	-170.1	-176.5	0	0	0	0	113.5	F334 L364 T365 Q408 T448 I452	F334-T450 HydrophobicContact CB-CG2 4.34Å; F334-T450 HydrophobicContact CD1-CG2 3.44Å; F334-T450 VanDerWaalsContact CD1-CG2 3.44Å; F334-T450 HydrophobicContact CE1-CG2 3.84Å; F334-T450 HydrophobicContact CG-CG2 3.94Å; L364-T450 CarbonylContact O-C 3.39Å; L364-T450 VanDerWaalsContact O-CA 3.23Å; L364-T450 WeakPolarHBondContact O-CA 3.32Å; L364-T450 PolarHBondContact O-OG1 3Å; T365-T450 WeakPolarHBondContact OG1-CB 3.4Å; T365-T450 PolarHBondContact OG1-OG1 3.18Å; Q408-T450 HydrophobicContact CB-CG2 4.31Å; Q408-T450 WeakPolarHBondContact CB-O 3.23Å; Q408-T450 PolarHBondContact N-O 2.71Å; Q408-T450 PolarHBondContact O-N 3.01Å; T448-T450 HydrophobicContact CG2-CG2 4.41Å; T450-I452 HydrophobicContact CG2-CB 4.22Å; T450-I452 WeakPolarHBondContact OG1-CB 3.47Å; T450-I452 WeakPolarHBondContact OG1-CG1 3.42Å; T450-I452 PolarHBondContact OG1-N 3.41Å
451	T	98.7	Very high	98	Very high	27 Å²	27	42.4 Å²	42.4	17%	0.166	23%	0.225	C	C	.	.	S	Bend	trans	-73.7	-19.7	167.7	56	0	0	0	0	112.2	N363 L364 I404 L407 R453	N363-T451 VanDerWaalsContact CA-OG1 3.23Å; N363-T451 WeakPolarHBondContact CA-OG1 3.32Å; N363-T451 WeakPolarHBondContact CB-OG1 3.36Å; N363-T451 PolarHBondContact OD1-OG1 3.2Å; L364-T451 HydrophobicContact CB-CG2 4.38Å; L364-T451 PolarHBondContact N-OG1 2.69Å; L364-T451 VanDerWaalsContact N-OG1 3.1Å; L364-T451 PolarHBondContact O-N 3.27Å; I404-T451 HydrophobicContact CD1-CG2 3.75Å; I404-T451 HydrophobicContact CG1-CG2 4.27Å; I404-T451 HydrophobicContact CG2-CG2 4.23Å; L407-T451 HydrophobicContact CD2-CG2 3.83Å; T451-R453 PolarHBondContact O-N 3.17Å
452	I	98.4	Very high	98	Very high	29 Å²	29	50.6 Å²	50.6	15%	0.149	26%	0.263	C	S	.	.			trans	-68.2	129.6	-178.8	-57.8	-61.1	0	0	0	110.3	F334 W339 N363 Q408 T450 T454	F334-I452 HydrophobicContact CD1-CB 4.15Å; F334-I452 HydrophobicContact CD1-CG2 4.15Å; W339-I452 HydrophobicContact CH2-CD1 4.11Å; W339-I452 HydrophobicContact CH2-CG1 4.06Å; W339-I452 HydrophobicContact CZ2-CD1 4.34Å; N363-I452 HydrophobicContact CB-CD1 4.06Å; Q408-I452 WeakPolarHBondContact CG-O 3.43Å; T450-I452 HydrophobicContact CG2-CB 4.22Å; T450-I452 WeakPolarHBondContact OG1-CB 3.47Å; T450-I452 WeakPolarHBondContact OG1-CG1 3.42Å; T450-I452 PolarHBondContact OG1-N 3.41Å; I452-T454 WeakPolarHBondContact CG2-OG1 3.42Å
453	R	97.9	Very high	98.1	Very high	156 Å²	156	50.1 Å²	50.1	59%	0.589	26%	0.258	S	S	*	.			trans	-103.7	-2.1	-175.8	-62	-175.2	-179.4	-97.3	-4.1	114.1	E406 Q408 T451	E406-R453 IonicContact OE1-CZ 3.21Å; E406-R453 IonicContact OE1-NH1 2.97Å; E406-R453 PolarHBondContact OE1-NH1 3.08Å; E406-R453 VanDerWaalsContact OE1-NH1 3.12Å; E406-R453 IonicContact OE1-NH2 2.7Å; E406-R453 PolarHBondContact OE1-NH2 3.16Å; Q408-R453 HydrophobicContact CG-CG 4.1Å; Q408-R453 VanDerWaalsContact NE2-NH1 3.19Å; T451-R453 PolarHBondContact O-N 3.17Å
454	T	96.8	Very high	98.2	Very high	83 Å²	83	48.5 Å²	48.5	51%	0.509	25%	0.253	S	S	.	.			trans	-85.9	-10.1	-172.4	55.4	0	0	0	0	114.7	N75 I452	N75-T454 PolarHBondContact OD1-OG1 3.43Å; N75-T454 VanDerWaalsContact OD1-OG1 3.12Å; I452-T454 WeakPolarHBondContact CG2-OG1 3.42Å
455	G	97.1	Very high	98.2	Very high	10 Å²	10	53.3 Å²	53.3	10%	0.103	29%	0.285	C	S	.	.			trans	-55.1	141.9	-178.3	0	0	0	0	0	112.8	W410	W410-G455 VanDerWaalsContact CH2-C 3.46Å; W410-G455 VanDerWaalsContact CH2-O 3.31Å; W410-G455 WeakPolarHBondContact CH2-O 3.49Å; W410-G455 WeakPolarHBondContact CZ2-O 3.45Å
456	Q	97.9	Very high	98.3	Very high	105 Å²	105	56.5 Å²	56.5	49%	0.491	31%	0.308	S	S	.	.			trans	-151.5	134.6	-178	175.9	176.9	7.6	0	0	110.6	N75 F76 Q333 G458	N75-Q456 WeakPolarHBondContact O-CB 3.3Å; F76-Q456 VanDerWaalsContact O-O 3.12Å; Q333-Q456 PolarHBondContact NE2-O 3.19Å; Q333-Q456 PolarHBondContact OE1-O 2.9Å; Q333-Q456 VanDerWaalsContact OE1-O 3.1Å; Q456-G458 PolarHBondContact O-N 2.85Å
457	K	98.6	Very high	98.2	Very high	90 Å²	90	58.6 Å²	58.6	39%	0.391	33%	0.325	S	S	.	.			trans	-82.1	97.7	164.1	-167.7	178	-177.5	176	0	108.7	W326 W410 L423 F424	W326-K457 HydrophobicContact CD2-CG 4.46Å; W326-K457 HydrophobicContact CE3-CG 4Å; W326-K457 HydrophobicContact CH2-CG 3.51Å; W326-K457 HydrophobicContact CZ2-CG 3.97Å; W326-K457 HydrophobicContact CZ3-CB 4.3Å; W326-K457 HydrophobicContact CZ3-CG 3.52Å; W410-K457 HydrophobicContact CZ3-CB 4.46Å; L423-K457 WeakPolarHBondContact O-CE 3.44Å; L423-K457 PolarHBondContact O-NZ 2.89Å; F424-K457 HydrophobicContact CB-CD 4.32Å; F424-K457 HydrophobicContact CB-CG 4.41Å; F424-K457 HydrophobicContact CD1-CB 3.94Å; F424-K457 HydrophobicContact CD1-CG 4.26Å
458	G	98.3	Very high	98.2	Very high	2 Å²	2	64.6 Å²	64.6	2%	0.021	35%	0.348	C	S	.	.			trans	-60.1	145.2	177	0	0	0	0	0	112.2	F76 W326 Q456	F76-G458 VanDerWaalsContact CD2-CA 3.42Å; F76-G458 WeakPolarHBondContact O-CA 3.42Å; F76-G458 PolarHBondContact O-N 2.7Å; W326-G458 VanDerWaalsContact CH2-O 3.27Å; W326-G458 WeakPolarHBondContact CH2-O 3.46Å; Q456-G458 PolarHBondContact O-N 2.85Å
459	S	98.1	Very high	98.2	Very high	90 Å²	90	64.9 Å²	64.9	63%	0.629	35%	0.349	S	S	*	.			trans	-145.8	146.9	176.2	62.5	0	0	0	0	112.1	Y70	Y70-S459 WeakPolarHBondContact OH-CA 3.42Å
460	F	98.6	Very high	98.2	Very high	58 Å²	58	67.4 Å²	67.4	25%	0.254	37%	0.365	S	S	.	.			trans	-124	166.3	164.8	-72	-63.9	0	0	0	108.8	Q66 D69 Y70 F76	Q66-F460 HydrophobicContact CB-CD2 3.63Å; Q66-F460 HydrophobicContact CB-CE2 3.76Å; Q66-F460 HydrophobicContact CB-CG 4.22Å; Q66-F460 HydrophobicContact CB-CZ 4.44Å; Q66-F460 HydrophobicContact CG-CB 4.35Å; Q66-F460 HydrophobicContact CG-CD1 3.93Å; Q66-F460 HydrophobicContact CG-CD2 3.56Å; Q66-F460 HydrophobicContact CG-CE1 4.06Å; Q66-F460 HydrophobicContact CG-CE2 3.7Å; Q66-F460 HydrophobicContact CG-CG 3.68Å; Q66-F460 HydrophobicContact CG-CZ 3.94Å; D69-F460 HydrophobicContact CB-CE2 3.82Å; D69-F460 HydrophobicContact CB-CZ 4.11Å; Y70-F460 HydrophobicContact CD2-CD2 4.34Å; Y70-F460 AromaticContact CE2-CD2 3.66Å; Y70-F460 HydrophobicContact CE2-CD2 3.66Å; Y70-F460 HydrophobicContact CE2-CE2 4.39Å; Y70-F460 PolarHBondContact OH-N 3.19Å; F76-F460 HydrophobicContact CE1-CD2 4.05Å; F76-F460 AromaticContact CE1-CE2 3.58Å; F76-F460 HydrophobicContact CE1-CE2 3.58Å; F76-F460 HydrophobicContact CE1-CZ 4.35Å; F76-F460 HydrophobicContact CE2-CE2 4.35Å; F76-F460 HydrophobicContact CE2-CZ 4.42Å; F76-F460 AromaticContact CZ-CD2 3.71Å; F76-F460 HydrophobicContact CZ-CD2 3.71Å; F76-F460 AromaticContact CZ-CE2 3.32Å; F76-F460 HydrophobicContact CZ-CE2 3.32Å; F76-F460 HydrophobicContact CZ-CG 4.46Å; F76-F460 AromaticContact CZ-CZ 3.78Å; F76-F460 HydrophobicContact CZ-CZ 3.78Å
461	P	98.1	Very high	98.1	Very high	101 Å²	101	72.6 Å²	72.6	66%	0.656	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-55.5	151.6	166.5	-23.1	34.7	0	0	0	111.2
462	E	97.1	Very high	98.1	Very high	173 Å²	173	74.4 Å²	74.4	81%	0.808	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-54.2	134.9	175.6	-66.6	-60	142.5	0	0	110.9
463	P	98.1	Very high	98.1	Very high	22 Å²	22	74.5 Å²	74.5	14%	0.143	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-68.8	168.5	175.2	28.4	-31.7	0	0	0	111	Y319	Y319-P463 HydrophobicContact CD1-CB 3.74Å; Y319-P463 HydrophobicContact CD1-CG 4.05Å; Y319-P463 HydrophobicContact CD2-CG 4.41Å; Y319-P463 HydrophobicContact CE1-CB 3.61Å; Y319-P463 HydrophobicContact CE1-CG 4Å; Y319-P463 HydrophobicContact CE2-CG 4.32Å; Y319-P463 HydrophobicContact CG-CB 4.42Å; Y319-P463 HydrophobicContact CG-CG 4.26Å; Y319-P463 VanDerWaalsContact O-CG 3.25Å; Y319-P463 WeakPolarHBondContact O-CG 3.49Å
464	P	98.4	Very high	98.1	Very high	32 Å²	32	74.3 Å²	74.3	21%	0.208	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-51.2	149.5	171.5	-26.8	35.9	0	0	0	111.9	Y63 S316 N318	Y63-P464 HydrophobicContact CE1-CG 4.18Å; Y63-P464 HydrophobicContact CE2-CG 3.97Å; Y63-P464 WeakPolarHBondContact OH-CG 3.39Å; S316-P464 VanDerWaalsContact O-CB 3.27Å; S316-P464 WeakPolarHBondContact O-CB 3.33Å; S316-P464 WeakPolarHBondContact O-CG 3.34Å; N318-P464 WeakPolarHBondContact CB-O 3.25Å; N318-P464 PolarHBondContact ND2-O 3.06Å
465	P	98.5	Very high	98.2	Very high	112 Å²	112	71.2 Å²	71.2	73%	0.727	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-61.4	149.1	174.8	27.7	-34.7	0	0	0	110.7
466	S	98.6	Very high	98.3	Very high	77 Å²	77	74.2 Å²	74.2	54%	0.538	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-54.1	139.6	174	164.2	0	0	0	0	111.2	E313 N318	E313-S466 WeakPolarHBondContact OE1-CB 3.32Å; E313-S466 PolarHBondContact OE1-OG 3.45Å; E313-S466 WeakPolarHBondContact OE2-CA 3.4Å; E313-S466 PolarHBondContact OE2-OG 3.5Å; N318-S466 PolarHBondContact ND2-N 2.88Å
467	A	98.2	Very high	98.3	Very high	47 Å²	47	69.2 Å²	69.2	39%	0.388	38%	0.379	S	S	.	.			trans	-139.9	144.9	176.1	0	0	0	0	0	110.7	E313 W315	E313-A467 PolarHBondContact OE2-N 2.8Å; W315-A467 PolarHBondContact NE1-O 3.24Å
468	R	97.8	Very high	98.1	Very high	143 Å²	143	69.1 Å²	69.1	54%	0.54	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-64	155.6	173.3	-68.3	-172.2	63.9	-173.5	-8.9	111.1	D537 Q539	R468-D537 WeakPolarHBondContact CB-OD2 3.33Å; R468-D537 IonicContact CZ-OD1 3.22Å; R468-D537 IonicContact CZ-OD2 3.17Å; R468-D537 IonicContact NE-OD1 3.78Å; R468-D537 IonicContact NE-OD2 2.69Å; R468-D537 PolarHBondContact NE-OD2 2.94Å; R468-D537 IonicContact NH2-OD1 3.92Å; R468-D537 PolarHBondContact NH2-OD1 3.28Å; R468-D537 IonicContact NH2-OD2 2.8Å; R468-D537 PolarHBondContact NH2-OD2 3.05Å; R468-Q539 VanDerWaalsContact NH2-CB 3.32Å
469	F	98.7	Very high	97.9	Very high	6 Å²	6	71.2 Å²	71.2	3%	0.026	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-55.6	142.7	175.7	-164.4	-83.3	0	0	0	110.6	W315 K471 Y473 N489 I535 D537 W540	W315-F469 AromaticContact CD2-CD2 3.74Å; W315-F469 HydrophobicContact CD2-CD2 3.74Å; W315-F469 HydrophobicContact CD2-CE2 4.35Å; W315-F469 HydrophobicContact CD2-CG 4.44Å; W315-F469 AromaticContact CE3-CD2 3.39Å; W315-F469 HydrophobicContact CE3-CD2 3.39Å; W315-F469 AromaticContact CE3-CE2 3.68Å; W315-F469 HydrophobicContact CE3-CE2 3.68Å; W315-F469 HydrophobicContact CE3-CG 4.47Å; W315-F469 AromaticContact CH2-CD2 3.88Å; W315-F469 HydrophobicContact CH2-CD2 3.88Å; W315-F469 HydrophobicContact CZ2-CB 4.34Å; W315-F469 HydrophobicContact CZ2-CD2 4.17Å; W315-F469 AromaticContact CZ3-CD2 3.48Å; W315-F469 HydrophobicContact CZ3-CD2 3.48Å; W315-F469 VanDerWaalsContact CZ3-CD2 3.48Å; W315-F469 AromaticContact CZ3-CE2 3.87Å; W315-F469 HydrophobicContact CZ3-CE2 3.87Å; F469-K471 PolarHBondContact O-N 2.93Å; F469-Y473 HydrophobicContact CE1-CD1 4.48Å; F469-Y473 AromaticContact CE1-CD2 3.76Å; F469-Y473 HydrophobicContact CE1-CD2 3.76Å; F469-Y473 HydrophobicContact CE1-CE2 4.5Å; F469-Y473 AromaticContact CE1-CG 3.74Å; F469-Y473 HydrophobicContact CE1-CG 3.74Å; F469-Y473 HydrophobicContact CZ-CD1 4.49Å; F469-Y473 AromaticContact CZ-CD2 3.72Å; F469-Y473 HydrophobicContact CZ-CD2 3.72Å; F469-Y473 HydrophobicContact CZ-CE2 4Å; F469-Y473 AromaticContact CZ-CG 3.98Å; F469-Y473 HydrophobicContact CZ-CG 3.98Å; F469-N489 HydrophobicContact CE2-CB 3.89Å; F469-N489 HydrophobicContact CZ-CB 4.2Å; F469-I535 HydrophobicContact CE2-CG1 4.49Å; F469-I535 HydrophobicContact CZ-CD1 4.32Å; F469-I535 HydrophobicContact CZ-CG1 4.02Å; F469-D537 HydrophobicContact CB-CB 3.88Å; F469-W540 HydrophobicContact CB-CZ2 4.26Å; F469-W540 AromaticContact CD1-CH2 3.42Å; F469-W540 HydrophobicContact CD1-CH2 3.42Å; F469-W540 VanDerWaalsContact CD1-CH2 3.42Å; F469-W540 AromaticContact CD1-CZ2 3.57Å; F469-W540 HydrophobicContact CD1-CZ2 3.57Å; F469-W540 AromaticContact CE1-CH2 3.84Å; F469-W540 HydrophobicContact CE1-CH2 3.84Å; F469-W540 HydrophobicContact CE1-CZ2 4.4Å; F469-W540 HydrophobicContact CG-CH2 4.34Å; F469-W540 HydrophobicContact CG-CZ2 4.32Å
470	P	98.4	Very high	97.6	Very high	52 Å²	52	75.8 Å²	75.8	34%	0.338	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-53.3	122.8	-179.6	-29	35.2	0	0	0	113.4	W315 A472 W540	W315-P470 HydrophobicContact CB-CG 4.33Å; P470-A472 PolarHBondContact O-N 2.87Å; P470-A472 VanDerWaalsContact O-N 3.13Å; P470-W540 VanDerWaalsContact O-CZ2 3.26Å; P470-W540 WeakPolarHBondContact O-CZ2 3.21Å
471	K	97.9	Very high	97.4	Very high	110 Å²	110	79.7 Å²	79.7	48%	0.478	42%	0.422	S	S	.	.	S	Bend	trans	-58	-27.1	176.2	-71.2	-171.8	-179.9	-172.4	0	113.6	F469 L665 A666 E667	F469-K471 PolarHBondContact O-N 2.93Å; K471-L665 CarbonylContact O-C 3.56Å; K471-L665 WeakPolarHBondContact O-CA 3.46Å; K471-A666 PolarHBondContact O-N 2.9Å; K471-E667 WeakPolarHBondContact CE-OXT 3.39Å; K471-E667 PolarHBondContact NZ-OXT 2.98Å
472	A	98.5	Very high	97.3	Very high	64 Å²	64	76.9 Å²	76.9	53%	0.529	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.9	171.8	0	0	0	0	0	108.2	P470 V664 L665	P470-A472 PolarHBondContact O-N 2.87Å; P470-A472 VanDerWaalsContact O-N 3.13Å; A472-V664 WeakPolarHBondContact CA-O 3.46Å; A472-L665 HydrophobicContact CB-CD2 3.55Å
473	Y	98.7	Very high	97.2	Very high	31 Å²	31	74.1 Å²	74.1	12%	0.122	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.9	179.8	-179.4	-88.5	0	0	0	110.1	F469 D475 P488 N489 I535 F662 N663 V664	F469-Y473 HydrophobicContact CE1-CD1 4.48Å; F469-Y473 AromaticContact CE1-CD2 3.76Å; F469-Y473 HydrophobicContact CE1-CD2 3.76Å; F469-Y473 HydrophobicContact CE1-CE2 4.5Å; F469-Y473 AromaticContact CE1-CG 3.74Å; F469-Y473 HydrophobicContact CE1-CG 3.74Å; F469-Y473 HydrophobicContact CZ-CD1 4.49Å; F469-Y473 AromaticContact CZ-CD2 3.72Å; F469-Y473 HydrophobicContact CZ-CD2 3.72Å; F469-Y473 HydrophobicContact CZ-CE2 4Å; F469-Y473 AromaticContact CZ-CG 3.98Å; F469-Y473 HydrophobicContact CZ-CG 3.98Å; Y473-D475 HydrophobicContact CE1-CB 4.06Å; Y473-P488 PolarHBondContact OH-O 2.89Å; Y473-N489 PolarHBondContact OH-ND2 3Å; Y473-I535 HydrophobicContact CD1-CD1 4.09Å; Y473-I535 HydrophobicContact CE1-CD1 3.59Å; Y473-F662 HydrophobicContact CD1-CD1 4.18Å; Y473-F662 HydrophobicContact CD1-CE1 4.06Å; Y473-F662 HydrophobicContact CE1-CD1 4.36Å; Y473-F662 HydrophobicContact CE1-CE1 4.48Å; Y473-N663 WeakPolarHBondContact O-CA 3.45Å; Y473-V664 PolarHBondContact N-O 2.85Å; Y473-V664 PolarHBondContact O-N 2.76Å
474	K	98.6	Very high	97.2	Very high	152 Å²	152	74.6 Å²	74.6	66%	0.661	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.2	179.3	-53.7	-170.2	-179.4	-173.8	0	109.8	F662 N663	K474-F662 CarbonylContact C-O 3.53Å; K474-F662 VanDerWaalsContact CA-O 3.26Å; K474-F662 WeakPolarHBondContact CA-O 3.35Å; K474-N663 HydrophobicContact CD-CB 4.42Å; K474-N663 WeakPolarHBondContact CE-OD1 3.27Å; K474-N663 HydrophobicContact CG-CB 3.96Å; K474-N663 WeakPolarHBondContact CG-OD1 3.5Å
475	D	98.5	Very high	97.2	Very high	18 Å²	18	74 Å²	74	10%	0.096	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	120.5	168.4	-158	-28.7	0	0	0	108.3	Y473 F477 N661 F662	Y473-D475 HydrophobicContact CE1-CB 4.06Å; D475-F477 HydrophobicContact CB-CD1 4.08Å; D475-F477 HydrophobicContact CB-CE1 3.73Å; D475-F477 HydrophobicContact CB-CZ 4.35Å; D475-F477 WeakPolarHBondContact OD1-CA 3.3Å; D475-F477 WeakPolarHBondContact OD1-CD1 3.33Å; D475-F477 PolarHBondContact OD1-N 2.83Å; D475-N661 CarbonylContact O-C 3.6Å; D475-F662 PolarHBondContact N-O 2.69Å; D475-F662 PolarHBondContact O-N 2.76Å
476	N	97.8	Very high	97.2	Very high	74 Å²	74	69.8 Å²	69.8	40%	0.396	37%	0.368	S	S	.	.			trans	-98.7	4.9	175.8	65.1	-22.3	0	0	0	111.9	D478 D660	N476-D478 PolarHBondContact ND2-OD2 3.04Å; N476-D478 PolarHBondContact O-N 3.1Å; N476-D660 VanDerWaalsContact O-OD1 3.05Å
477	F	98	Very high	97.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.342	C	S	.	.			trans	56.6	9.9	176.4	-43	-59.2	0	0	0	116.7	D475 T479 A487 F490 Y499 F511 L513 F659 F662	D475-F477 HydrophobicContact CB-CD1 4.08Å; D475-F477 HydrophobicContact CB-CE1 3.73Å; D475-F477 HydrophobicContact CB-CZ 4.35Å; D475-F477 WeakPolarHBondContact OD1-CA 3.3Å; D475-F477 WeakPolarHBondContact OD1-CD1 3.33Å; D475-F477 PolarHBondContact OD1-N 2.83Å; F477-T479 PolarHBondContact O-N 2.77Å; F477-A487 HydrophobicContact CD1-CB 3.83Å; F477-A487 HydrophobicContact CE1-CB 3.89Å; F477-F490 HydrophobicContact CE1-CD2 4.5Å; F477-F490 AromaticContact CE1-CE2 3.75Å; F477-F490 HydrophobicContact CE1-CE2 3.75Å; F477-F490 HydrophobicContact CE1-CZ 4.19Å; F477-F490 HydrophobicContact CZ-CE2 4.13Å; F477-F490 HydrophobicContact CZ-CZ 4.09Å; F477-Y499 HydrophobicContact CB-CD1 4.18Å; F477-Y499 HydrophobicContact CB-CE1 3.92Å; F477-Y499 HydrophobicContact CD1-CE1 4.27Å; F477-F511 WeakPolarHBondContact O-CB 3.39Å; F477-L513 HydrophobicContact CD1-CB 4.18Å; F477-L513 HydrophobicContact CD2-CB 3.94Å; F477-L513 HydrophobicContact CE1-CB 4.11Å; F477-L513 HydrophobicContact CE1-CD2 4.27Å; F477-L513 HydrophobicContact CE2-CB 3.87Å; F477-L513 HydrophobicContact CG-CB 4.09Å; F477-L513 HydrophobicContact CZ-CB 3.95Å; F477-L513 HydrophobicContact CZ-CD2 4.18Å; F477-F659 WeakPolarHBondContact CD2-O 3.29Å; F477-F662 HydrophobicContact CE2-CB 4.18Å; F477-F662 HydrophobicContact CZ-CB 3.76Å
478	D	96	Very high	97.2	Very high	87 Å²	87	65.7 Å²	65.7	47%	0.465	34%	0.335	S	S	.	.			trans	-68.5	64	-177.6	-81.1	-27.3	0	0	0	112.8	N476 F511	N476-D478 PolarHBondContact ND2-OD2 3.04Å; N476-D478 PolarHBondContact O-N 3.1Å; D478-F511 HydrophobicContact CB-CD2 4.49Å; D478-F511 WeakPolarHBondContact OD1-CD2 3.24Å
479	T	93.2	Very high	97.3	Very high	46 Å²	46	59.3 Å²	59.3	28%	0.282	31%	0.312	S	S	.	.			trans	-125.5	106.5	-176.2	-55.7	0	0	0	0	110.1	F477 P482	F477-T479 PolarHBondContact O-N 2.77Å; T479-P482 HydrophobicContact CG2-CB 3.7Å
480	R	91.8	Very high	97.3	Very high	187 Å²	187	59 Å²	59	71%	0.706	31%	0.31	S	S	*	.	S	Bend	trans	-68.1	-37.9	-178.5	-171.3	175.9	-164.8	173.8	7.2	114.2	F511	R480-F511 HydrophobicContact CB-CE1 4.04Å; R480-F511 HydrophobicContact CB-CZ 4.14Å; R480-F511 HydrophobicContact CG-CE1 4.28Å; R480-F511 HydrophobicContact CG-CZ 4.36Å
481	N	94.9	Very high	97.3	Very high	140 Å²	140	56.9 Å²	56.9	75%	0.749	30%	0.297	S	S	*	.	S	Bend	trans	-132.8	75	-177.3	-60.9	-48.5	0	0	0	108.2
482	P	96.2	Very high	97.4	Very high	41 Å²	41	51.9 Å²	51.9	27%	0.266	28%	0.276	S	S	.	.			trans	-68	140.4	-177.5	31.4	-36.2	0	0	0	109.6	T479 F484 Y499	T479-P482 HydrophobicContact CG2-CB 3.7Å; P482-F484 WeakPolarHBondContact CB-O 3.34Å; P482-F484 PolarHBondContact O-N 3.43Å; P482-Y499 HydrophobicContact CB-CD2 3.36Å; P482-Y499 HydrophobicContact CB-CE2 3.54Å; P482-Y499 HydrophobicContact CB-CG 4.03Å; P482-Y499 HydrophobicContact CG-CD2 3.66Å; P482-Y499 HydrophobicContact CG-CE2 4.35Å; P482-Y499 HydrophobicContact CG-CG 3.96Å
483	P	94.4	Very high	97.4	Very high	116 Å²	116	48.9 Å²	48.9	75%	0.753	25%	0.251	S	S	*	.	S	Bend	trans	-70.4	-17.6	-179.6	27.2	-33.4	0	0	0	113.3
484	F	98.4	Very high	97.4	Very high	31 Å²	31	47.4 Å²	47.4	14%	0.136	25%	0.245	C	C	.	.	S	Bend	trans	-136.3	160.2	176.7	-62.7	-84.2	0	0	0	108.9	V57 W117 P482 E486	V57-F484 HydrophobicContact CB-CD1 4.25Å; V57-F484 HydrophobicContact CB-CD2 4.04Å; V57-F484 HydrophobicContact CB-CE1 3.92Å; V57-F484 HydrophobicContact CB-CE2 3.72Å; V57-F484 HydrophobicContact CB-CG 4.31Å; V57-F484 HydrophobicContact CB-CZ 3.66Å; V57-F484 HydrophobicContact CG1-CD1 4.18Å; V57-F484 HydrophobicContact CG1-CE1 3.79Å; V57-F484 HydrophobicContact CG1-CE2 4.49Å; V57-F484 HydrophobicContact CG1-CZ 3.98Å; V57-F484 HydrophobicContact CG2-CD2 4.37Å; V57-F484 HydrophobicContact CG2-CE2 4.49Å; W117-F484 HydrophobicContact CB-CE1 3.83Å; W117-F484 HydrophobicContact CB-CZ 4.46Å; W117-F484 HydrophobicContact CD2-CE1 4Å; W117-F484 AromaticContact CD2-CZ 3.98Å; W117-F484 HydrophobicContact CD2-CZ 3.98Å; W117-F484 HydrophobicContact CE3-CE1 4.35Å; W117-F484 AromaticContact CG-CE1 3.76Å; W117-F484 HydrophobicContact CG-CE1 3.76Å; W117-F484 AromaticContact CG-CZ 3.92Å; W117-F484 HydrophobicContact CG-CZ 3.92Å; P482-F484 WeakPolarHBondContact CB-O 3.34Å; P482-F484 PolarHBondContact O-N 3.43Å; F484-E486 VanDerWaalsContact C-N 3.28Å; F484-E486 PolarHBondContact O-N 2.84Å
485	S	98.4	Very high	97.4	Very high	21 Å²	21	40.1 Å²	40.1	15%	0.147	21%	0.213	C	C	.	.	S	Bend	trans	-70.8	-19.4	-174.9	56.9	0	0	0	0	114.7	G113 E498 Y499	G113-S485 PolarHBondContact N-OG 3.21Å; S485-E498 CarbonylContact O-C 3.55Å; S485-E498 WeakPolarHBondContact O-CA 3.29Å; S485-Y499 PolarHBondContact O-N 2.99Å
486	E	98.7	Very high	97.4	Very high	23 Å²	23	39.4 Å²	39.4	11%	0.107	21%	0.21	C	C	.	.	S	Bend	trans	-122.6	148.8	-175.1	-174	-170.8	157.3	0	0	111.4	R54 F484 F490 F497 Y499	R54-E486 IonicContact CZ-OE1 3.7Å; R54-E486 IonicContact CZ-OE2 3.84Å; R54-E486 IonicContact NE-OE1 3.15Å; R54-E486 PolarHBondContact NE-OE1 3.29Å; R54-E486 IonicContact NE-OE2 2.68Å; R54-E486 PolarHBondContact NE-OE2 2.56Å; R54-E486 VanDerWaalsContact NH2-CG 3.32Å; R54-E486 IonicContact NH2-OE1 3.46Å; R54-E486 PolarHBondContact NH2-OE1 2.7Å; R54-E486 IonicContact NH2-OE2 3.35Å; R54-E486 PolarHBondContact NH2-OE2 2.97Å; R54-E486 VanDerWaalsContact NH2-OE2 3.1Å; F484-E486 VanDerWaalsContact C-N 3.28Å; F484-E486 PolarHBondContact O-N 2.84Å; E486-F490 WeakPolarHBondContact OE1-CB 3.33Å; E486-F490 VanDerWaalsContact OE1-O 3.04Å; E486-F497 WeakPolarHBondContact CB-O 3.48Å; E486-F497 WeakPolarHBondContact CG-O 3.29Å; E486-Y499 VanDerWaalsContact C-CE2 3.5Å
487	A	98.6	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.			trans	-62.1	148.2	176.2	0	0	0	0	0	112.5	R54 F477 F490 Y499 L513	R54-A487 PolarHBondContact NH2-O 2.85Å; F477-A487 HydrophobicContact CD1-CB 3.83Å; F477-A487 HydrophobicContact CE1-CB 3.89Å; A487-F490 HydrophobicContact CB-CD2 3.92Å; A487-F490 HydrophobicContact CB-CE2 4.39Å; A487-Y499 VanDerWaalsContact CA-CE2 3.49Å; A487-Y499 WeakPolarHBondContact CA-OH 3.41Å; A487-Y499 HydrophobicContact CB-CE1 4.08Å; A487-Y499 HydrophobicContact CB-CE2 4.13Å; A487-L513 HydrophobicContact CB-CD1 4.12Å
488	P	98.5	Very high	97.5	Very high	37 Å²	37	37 Å²	37	24%	0.24	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	149.1	-176.8	27	-34.7	0	0	0	112.8	N58 Y473 F490 Y499	N58-P488 HydrophobicContact CB-CB 3.86Å; N58-P488 WeakPolarHBondContact ND2-CB 3.39Å; Y473-P488 PolarHBondContact OH-O 2.89Å; P488-F490 PolarHBondContact O-N 2.96Å; P488-Y499 WeakPolarHBondContact CD-OH 3.47Å
489	N	98.8	Very high	97.6	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.048	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-15.7	174.8	-44.7	-58.1	0	0	0	117.4	N58 Y298 F469 Y473 A491 I535	N58-N489 PolarHBondContact ND2-OD1 3.41Å; Y298-N489 PolarHBondContact OH-O 3.44Å; F469-N489 HydrophobicContact CE2-CB 3.89Å; F469-N489 HydrophobicContact CZ-CB 4.2Å; Y473-N489 PolarHBondContact OH-ND2 3Å; N489-A491 PolarHBondContact O-N 2.93Å; N489-I535 HydrophobicContact CB-CD1 3.9Å; N489-I535 HydrophobicContact CB-CG1 4.03Å
490	F	98.9	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.			trans	-63.2	134.8	164.9	-73.5	-84.8	0	0	0	108.8	R54 F477 E486 A487 P488 L513 T533 I535 I649 F662	R54-F490 PolarHBondContact NE-O 3.29Å; R54-F490 PolarHBondContact NH2-O 2.99Å; F477-F490 HydrophobicContact CE1-CD2 4.5Å; F477-F490 AromaticContact CE1-CE2 3.75Å; F477-F490 HydrophobicContact CE1-CE2 3.75Å; F477-F490 HydrophobicContact CE1-CZ 4.19Å; F477-F490 HydrophobicContact CZ-CE2 4.13Å; F477-F490 HydrophobicContact CZ-CZ 4.09Å; E486-F490 WeakPolarHBondContact OE1-CB 3.33Å; E486-F490 VanDerWaalsContact OE1-O 3.04Å; A487-F490 HydrophobicContact CB-CD2 3.92Å; A487-F490 HydrophobicContact CB-CE2 4.39Å; P488-F490 PolarHBondContact O-N 2.96Å; F490-L513 HydrophobicContact CD1-CD2 4.49Å; F490-L513 HydrophobicContact CG-CD2 4.49Å; F490-T533 HydrophobicContact CD1-CG2 3.76Å; F490-T533 HydrophobicContact CE1-CG2 4.46Å; F490-I535 HydrophobicContact CD1-CB 4.18Å; F490-I535 HydrophobicContact CD1-CD1 4.28Å; F490-I535 HydrophobicContact CD1-CG2 4.28Å; F490-I535 HydrophobicContact CD2-CD1 3.85Å; F490-I535 HydrophobicContact CE1-CB 4.28Å; F490-I535 HydrophobicContact CE1-CD1 4.12Å; F490-I535 HydrophobicContact CE1-CG2 3.92Å; F490-I535 HydrophobicContact CE2-CD1 3.66Å; F490-I535 HydrophobicContact CG-CD1 4.17Å; F490-I535 HydrophobicContact CZ-CD1 3.81Å; F490-I535 HydrophobicContact CZ-CG2 4.43Å; F490-I649 HydrophobicContact CD1-CD1 4.45Å; F490-I649 HydrophobicContact CE1-CD1 3.85Å; F490-I649 HydrophobicContact CE1-CG1 4.27Å; F490-F662 HydrophobicContact CE1-CD2 4.4Å; F490-F662 HydrophobicContact CE1-CE2 4.44Å; F490-F662 HydrophobicContact CE1-CG 4.48Å; F490-F662 HydrophobicContact CZ-CB 4.26Å; F490-F662 AromaticContact CZ-CD1 3.78Å; F490-F662 HydrophobicContact CZ-CD1 3.78Å; F490-F662 HydrophobicContact CZ-CD2 4.14Å; F490-F662 HydrophobicContact CZ-CE1 4.13Å; F490-F662 HydrophobicContact CZ-CE2 4.46Å; F490-F662 AromaticContact CZ-CG 3.79Å; F490-F662 HydrophobicContact CZ-CG 3.79Å; F490-F662 HydrophobicContact CZ-CZ 4.46Å
491	A	98.9	Very high	98	Very high	7 Å²	7	30.3 Å²	30.3	6%	0.058	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	98.6	179.9	0	0	0	0	0	107.8	R54 Y298 N489 Q493 T533 V534	R54-A491 HydrophobicContact CG-CB 4.43Å; Y298-A491 HydrophobicContact CD2-CB 4.19Å; Y298-A491 HydrophobicContact CE2-CB 3.98Å; N489-A491 PolarHBondContact O-N 2.93Å; A491-Q493 WeakPolarHBondContact O-CG 3.44Å; A491-Q493 PolarHBondContact O-N 3.35Å; A491-Q493 PolarHBondContact O-NE2 2.89Å; A491-T533 VanDerWaalsContact C-OG1 3.32Å; A491-T533 PolarHBondContact N-OG1 3.05Å; A491-V534 HydrophobicContact CB-CG2 4.17Å; A491-V534 PolarHBondContact N-O 3.47Å; A491-V534 PolarHBondContact O-N 2.68Å; A491-V534 VanDerWaalsContact O-N 3.07Å
492	D	98.9	Very high	97.7	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.027	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	124.9	-178.5	-63.6	-8.9	0	0	0	110.7	G96 T97 V496 F497 T533	G96-D492 CarbonylContact C-O 3.59Å; G96-D492 WeakPolarHBondContact CA-O 3.3Å; T97-D492 PolarHBondContact N-O 2.85Å; T97-D492 WeakPolarHBondContact OG1-CB 3.16Å; D492-V496 WeakPolarHBondContact OD2-CA 3.4Å; D492-F497 HydrophobicContact CB-CD2 4.3Å; D492-F497 VanDerWaalsContact CG-CD2 3.45Å; D492-F497 WeakPolarHBondContact OD1-CD2 3.26Å; D492-F497 PolarHBondContact OD2-N 3.48Å; D492-T533 PolarHBondContact N-OG1 2.78Å; D492-T533 WeakPolarHBondContact OD1-CB 3.37Å; D492-T533 PolarHBondContact OD1-OG1 2.83Å
493	Q	98.9	Very high	97.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-20.6	-177.8	-54.7	-57.8	-52.8	0	0	112.4	Q92 D95 A491 V532 V534 V572	Q92-Q493 PolarHBondContact NE2-O 3.17Å; D95-Q493 PolarHBondContact O-NE2 3.27Å; D95-Q493 PolarHBondContact O-OE1 2.76Å; D95-Q493 VanDerWaalsContact O-OE1 3.13Å; A491-Q493 WeakPolarHBondContact O-CG 3.44Å; A491-Q493 PolarHBondContact O-N 3.35Å; A491-Q493 PolarHBondContact O-NE2 2.89Å; Q493-V532 HydrophobicContact CB-CG1 4.11Å; Q493-V532 PolarHBondContact N-O 2.92Å; Q493-V534 HydrophobicContact CG-CB 4.47Å; Q493-V534 HydrophobicContact CG-CG1 3.96Å; Q493-V534 HydrophobicContact CG-CG2 3.81Å; Q493-V572 HydrophobicContact CB-CB 4.21Å; Q493-V572 HydrophobicContact CB-CG2 3.6Å
494	T	98.9	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	137.7	166.1	-65	0	0	0	0	107.8	D527 A528 Q530 T531 V532 V572 F654	T494-D527 HydrophobicContact CG2-CB 4.09Å; T494-A528 HydrophobicContact CG2-CB 4.3Å; T494-A528 PolarHBondContact OG1-N 3.49Å; T494-A528 VanDerWaalsContact OG1-N 3.1Å; T494-Q530 WeakPolarHBondContact CB-O 3.29Å; T494-Q530 WeakPolarHBondContact CG2-O 3.3Å; T494-T531 CarbonylContact O-C 3.58Å; T494-T531 WeakPolarHBondContact O-CA 3.43Å; T494-T531 VanDerWaalsContact O-CB 3.24Å; T494-T531 WeakPolarHBondContact O-CB 3.28Å; T494-V532 PolarHBondContact N-O 2.77Å; T494-V532 PolarHBondContact O-N 2.81Å; T494-V572 WeakPolarHBondContact OG1-CG1 3.45Å; T494-F654 HydrophobicContact CG2-CE1 4Å; T494-F654 HydrophobicContact CG2-CE2 4.48Å; T494-F654 HydrophobicContact CG2-CZ 3.62Å
495	G	98.7	Very high	94.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	80.3	-177.3	-169.2	0	0	0	0	0	112.2	T97	T97-G495 WeakPolarHBondContact CB-O 3.21Å; T97-G495 VanDerWaalsContact CG2-O 3.31Å; T97-G495 WeakPolarHBondContact CG2-O 3.05Å; T97-G495 PolarHBondContact OG1-O 3.31Å
496	V	98.9	Very high	93.4	Very high	3 Å²	3	38 Å²	38	2%	0.018	21%	0.206	C	C	.	.			trans	-136.2	131.4	178.8	176.6	0	0	0	0	108.6	D90 P99 D492 E498 Q515 V516 V517	D90-V496 HydrophobicContact CB-CG2 4.01Å; P99-V496 HydrophobicContact CB-CG1 3.85Å; D492-V496 WeakPolarHBondContact OD2-CA 3.4Å; V496-E498 HydrophobicContact CG1-CG 4.03Å; V496-Q515 WeakPolarHBondContact O-CA 3.44Å; V496-Q515 PolarHBondContact O-OE1 2.92Å; V496-V516 HydrophobicContact CB-CG2 4.08Å; V496-V516 HydrophobicContact CG1-CG2 4.08Å; V496-V516 PolarHBondContact O-N 3Å; V496-V517 HydrophobicContact CB-CG2 3.7Å; V496-V517 HydrophobicContact CG2-CG2 3.75Å
497	F	98.9	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.8	-178.1	-63.5	-106.9	0	0	0	109.2	E486 D492 L513 R514 Q515 T533 F659	E486-F497 WeakPolarHBondContact CB-O 3.48Å; E486-F497 WeakPolarHBondContact CG-O 3.29Å; D492-F497 HydrophobicContact CB-CD2 4.3Å; D492-F497 VanDerWaalsContact CG-CD2 3.45Å; D492-F497 WeakPolarHBondContact OD1-CD2 3.26Å; D492-F497 PolarHBondContact OD2-N 3.48Å; F497-L513 HydrophobicContact CB-CD1 4.25Å; F497-L513 HydrophobicContact CB-CD2 4.15Å; F497-L513 HydrophobicContact CB-CG 4.12Å; F497-L513 HydrophobicContact CD1-CD2 4.38Å; F497-R514 CarbonylContact C-O 3.52Å; F497-R514 VanDerWaalsContact CA-O 3.31Å; F497-R514 WeakPolarHBondContact CA-O 3.36Å; F497-Q515 HydrophobicContact CD1-CB 4.08Å; F497-Q515 HydrophobicContact CD1-CG 4.34Å; F497-Q515 HydrophobicContact CE1-CB 3.89Å; F497-Q515 HydrophobicContact CE1-CG 3.93Å; F497-Q515 HydrophobicContact CE2-CG 4.12Å; F497-Q515 HydrophobicContact CZ-CB 4.3Å; F497-Q515 HydrophobicContact CZ-CG 3.81Å; F497-T533 HydrophobicContact CD1-CG2 3.89Å; F497-T533 HydrophobicContact CD2-CG2 3.98Å; F497-T533 HydrophobicContact CE1-CG2 3.92Å; F497-T533 HydrophobicContact CE2-CG2 4.02Å; F497-T533 HydrophobicContact CG-CG2 3.92Å; F497-T533 HydrophobicContact CZ-CG2 3.99Å; F497-F659 HydrophobicContact CD1-CD2 4.4Å; F497-F659 HydrophobicContact CD1-CE2 4.21Å; F497-F659 HydrophobicContact CE1-CD2 4.34Å; F497-F659 AromaticContact CE1-CE2 3.74Å; F497-F659 HydrophobicContact CE1-CE2 3.74Å; F497-F659 HydrophobicContact CE1-CZ 4.32Å
498	E	98.9	Very high	91.7	Very high	24 Å²	24	43.7 Å²	43.7	11%	0.112	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.7	-175.9	-58.3	-164.7	125.4	0	0	111.3	H103 R112 S485 V496 Y500 L513 R514 V516	H103-E498 IonicContact NE2-OE1 3.6Å; H103-E498 IonicContact NE2-OE2 2.94Å; R112-E498 WeakPolarHBondContact CD-OE1 3.39Å; R112-E498 VanDerWaalsContact CG-OE1 3.27Å; R112-E498 WeakPolarHBondContact CG-OE1 3.34Å; R112-E498 IonicContact NE-OE1 3.93Å; R112-E498 PolarHBondContact NE-OE1 2.68Å; R112-E498 VanDerWaalsContact NE-OE1 3.1Å; R112-E498 IonicContact NE-OE2 3.21Å; S485-E498 CarbonylContact O-C 3.55Å; S485-E498 WeakPolarHBondContact O-CA 3.29Å; V496-E498 HydrophobicContact CG1-CG 4.03Å; E498-Y500 PolarHBondContact O-N 3.12Å; E498-L513 CarbonylContact O-C 3.58Å; E498-L513 WeakPolarHBondContact O-CA 3.31Å; E498-R514 PolarHBondContact N-O 2.91Å; E498-R514 PolarHBondContact O-N 3.39Å; E498-V516 HydrophobicContact CB-CG1 4.27Å; E498-V516 HydrophobicContact CG-CG1 4.23Å; E498-V516 HydrophobicContact CG-CG2 4.05Å
499	Y	98.7	Very high	91.5	Very high	41 Å²	41	43.1 Å²	43.1	16%	0.161	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	132.9	162.9	-81.5	-66.6	0	0	0	109.5	F477 P482 S485 E486 A487 P488	F477-Y499 HydrophobicContact CB-CD1 4.18Å; F477-Y499 HydrophobicContact CB-CE1 3.92Å; F477-Y499 HydrophobicContact CD1-CE1 4.27Å; P482-Y499 HydrophobicContact CB-CD2 3.36Å; P482-Y499 HydrophobicContact CB-CE2 3.54Å; P482-Y499 HydrophobicContact CB-CG 4.03Å; P482-Y499 HydrophobicContact CG-CD2 3.66Å; P482-Y499 HydrophobicContact CG-CE2 4.35Å; P482-Y499 HydrophobicContact CG-CG 3.96Å; S485-Y499 PolarHBondContact O-N 2.99Å; E486-Y499 VanDerWaalsContact C-CE2 3.5Å; A487-Y499 VanDerWaalsContact CA-CE2 3.49Å; A487-Y499 WeakPolarHBondContact CA-OH 3.41Å; A487-Y499 HydrophobicContact CB-CE1 4.08Å; A487-Y499 HydrophobicContact CB-CE2 4.13Å; P488-Y499 WeakPolarHBondContact CD-OH 3.47Å
500	Y	97.5	Very high	91.3	Very high	74 Å²	74	44.3 Å²	44.3	29%	0.29	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.4	-177.8	-176.7	-104.6	0	0	0	110.8	E498 N502 F511 T512 R514 Q658	E498-Y500 PolarHBondContact O-N 3.12Å; Y500-N502 HydrophobicContact CD1-CB 4.49Å; Y500-N502 HydrophobicContact CE1-CB 3.97Å; Y500-F511 WeakPolarHBondContact O-CA 3.31Å; Y500-T512 PolarHBondContact N-O 2.98Å; Y500-T512 PolarHBondContact O-N 3.35Å; Y500-R514 HydrophobicContact CG-CB 4.04Å; Y500-R514 HydrophobicContact CG-CG 4.47Å; Y500-Q658 HydrophobicContact CD1-CG 4.41Å
501	I	95	Very high	91.2	Very high	63 Å²	63	46.3 Å²	46.3	32%	0.323	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.8	176.5	-50.4	179.4	0	0	0	107.9	L503 T510 F511	I501-L503 HydrophobicContact CG2-CD2 3.71Å; I501-L503 HydrophobicContact CG2-CG 4.25Å; I501-L503 PolarHBondContact O-N 3.46Å; I501-L503 VanDerWaalsContact O-N 3.17Å; I501-T510 WeakPolarHBondContact CA-O 3.48Å; I501-T510 HydrophobicContact CG2-CG2 4.49Å; I501-F511 HydrophobicContact CD1-CD1 4.36Å; I501-F511 HydrophobicContact CD1-CE1 3.99Å; I501-F511 HydrophobicContact CG1-CD1 3.89Å; I501-F511 HydrophobicContact CG1-CE1 3.97Å; I501-F511 HydrophobicContact CG2-CD1 4.29Å; I501-F511 HydrophobicContact CG2-CE1 3.98Å
502	N	89.6	Confident	91.1	Very high	19 Å²	19	46 Å²	46	10%	0.102	26%	0.258	C	S	.	.			trans	-80.4	95.9	174.1	-174.4	-5	0	0	0	110.1	Y500 T504 D505 T510	Y500-N502 HydrophobicContact CD1-CB 4.49Å; Y500-N502 HydrophobicContact CE1-CB 3.97Å; N502-T504 VanDerWaalsContact C-N 3.29Å; N502-T504 PolarHBondContact O-N 3.25Å; N502-T504 PolarHBondContact OD1-N 3.21Å; N502-T504 VanDerWaalsContact OD1-N 3.11Å; N502-T504 PolarHBondContact OD1-OG1 2.89Å; N502-D505 PolarHBondContact OD1-N 2.59Å; N502-T510 PolarHBondContact N-O 2.83Å
503	L	84.1	Confident	91.1	Very high	152 Å²	152	45.8 Å²	45.8	80%	0.796	26%	0.257	S	S	*	.	S	Bend	trans	-77.9	-14	179.2	-62.6	177.1	0	0	0	113.7	I501	I501-L503 HydrophobicContact CG2-CD2 3.71Å; I501-L503 HydrophobicContact CG2-CG 4.25Å; I501-L503 PolarHBondContact O-N 3.46Å; I501-L503 VanDerWaalsContact O-N 3.17Å
504	T	75.8	Confident	91.1	Very high	129 Å²	129	47.1 Å²	47.1	79%	0.791	26%	0.262	S	S	*	.	S	Bend	trans	-92.2	-22.1	-173.5	43.8	0	0	0	0	113.9	N502	N502-T504 VanDerWaalsContact C-N 3.29Å; N502-T504 PolarHBondContact O-N 3.25Å; N502-T504 PolarHBondContact OD1-N 3.21Å; N502-T504 VanDerWaalsContact OD1-N 3.11Å; N502-T504 PolarHBondContact OD1-OG1 2.89Å
505	D	69.2	Low	91.1	Very high	102 Å²	102	47.1 Å²	47.1	55%	0.545	26%	0.262	S	S	.	.			trans	-137.5	89	177.5	-173.7	10.4	0	0	0	110.1	N502 G507	N502-D505 PolarHBondContact OD1-N 2.59Å; D505-G507 PolarHBondContact O-N 2.59Å
506	P	66.3	Low	91.1	Very high	108 Å²	108	47.5 Å²	47.5	70%	0.701	26%	0.264	S	S	*	.			trans	-76.5	35.5	-175.1	34.2	-36.8	0	0	0	112.9	T510	P506-T510 WeakPolarHBondContact CA-OG1 3.39Å
507	G	76.6	Confident	91.1	Very high	28 Å²	28	47.7 Å²	47.7	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	-70.1	-164.1	174	0	0	0	0	0	112.9	D505 H509 T510	D505-G507 PolarHBondContact O-N 2.59Å; G507-H509 PolarHBondContact O-N 2.88Å; G507-T510 PolarHBondContact O-N 2.97Å; G507-T510 PolarHBondContact O-OG1 3.28Å
508	P	86.7	Confident	90.9	Very high	115 Å²	115	50.7 Å²	50.7	75%	0.747	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.6	-176.7	24.8	-33	0	0	0	114.2
509	H	93.3	Very high	90.8	Very high	25 Å²	25	52.9 Å²	52.9	12%	0.116	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	50.4	-178.5	-57.3	-70	0	0	0	111.7	G507 T512 D548 W612 D660	G507-H509 PolarHBondContact O-N 2.88Å; H509-T512 HydrophobicContact CB-CG2 4.03Å; H509-D548 IonicContact CE1-OD2 2.88Å; H509-D548 PolarHBondContact CE1-OD2 3.19Å; H509-W612 HydrophobicContact CB-CD2 4.26Å; H509-W612 VanDerWaalsContact CB-CE2 3.48Å; H509-W612 HydrophobicContact CB-CH2 4.17Å; H509-W612 HydrophobicContact CB-CZ2 3.45Å; H509-W612 VanDerWaalsContact CB-CZ2 3.45Å; H509-W612 AromaticContact CD2-CD1 3.33Å; H509-W612 AromaticContact CD2-CD2 3.4Å; H509-W612 AromaticContact CD2-CE2 3.46Å; H509-W612 VanDerWaalsContact CD2-CE2 3.46Å; H509-W612 AromaticContact CD2-CG 3.34Å; H509-W612 AromaticContact CD2-NE1 3.38Å; H509-W612 PolarHBondContact CD2-NE1 3.11Å; H509-W612 AromaticContact CE1-CD2 3.93Å; H509-W612 AromaticContact CE1-CE3 3.92Å; H509-W612 AromaticContact CG-CD2 3.61Å; H509-W612 AromaticContact CG-CE2 3.35Å; H509-W612 AromaticContact CG-CZ2 3.68Å; H509-W612 AromaticContact CG-NE1 3.62Å; H509-W612 AromaticContact ND1-CD2 3.94Å; H509-W612 AromaticContact ND1-CE3 3.98Å; H509-W612 AromaticContact NE2-CD1 4Å; H509-W612 AromaticContact NE2-CD2 3.65Å; H509-W612 AromaticContact NE2-CG 3.55Å; H509-D660 IonicContact CE1-OD2 3.97Å; H509-D660 IonicContact CG-OD2 2.8Å; H509-D660 IonicContact ND1-OD2 3.79Å; H509-D660 PolarHBondContact ND1-OD2 2.97Å
510	T	94.5	Very high	90.7	Very high	35 Å²	35	55.4 Å²	55.4	22%	0.215	30%	0.303	C	S	.	.	S	Bend	trans	-70.7	-35.7	179	-63.6	0	0	0	0	111.6	I501 N502 P506 G507	I501-T510 WeakPolarHBondContact CA-O 3.48Å; I501-T510 HydrophobicContact CG2-CG2 4.49Å; N502-T510 PolarHBondContact N-O 2.83Å; P506-T510 WeakPolarHBondContact CA-OG1 3.39Å; G507-T510 PolarHBondContact O-N 2.97Å; G507-T510 PolarHBondContact O-OG1 3.28Å
511	F	96.7	Very high	90.8	Very high	42 Å²	42	52.1 Å²	52.1	18%	0.184	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.3	176.9	-58.1	-79.7	0	0	0	108.6	F477 D478 R480 Y500 I501	F477-F511 WeakPolarHBondContact O-CB 3.39Å; D478-F511 HydrophobicContact CB-CD2 4.49Å; D478-F511 WeakPolarHBondContact OD1-CD2 3.24Å; R480-F511 HydrophobicContact CB-CE1 4.04Å; R480-F511 HydrophobicContact CB-CZ 4.14Å; R480-F511 HydrophobicContact CG-CE1 4.28Å; R480-F511 HydrophobicContact CG-CZ 4.36Å; Y500-F511 WeakPolarHBondContact O-CA 3.31Å; I501-F511 HydrophobicContact CD1-CD1 4.36Å; I501-F511 HydrophobicContact CD1-CE1 3.99Å; I501-F511 HydrophobicContact CG1-CD1 3.89Å; I501-F511 HydrophobicContact CG1-CE1 3.97Å; I501-F511 HydrophobicContact CG2-CD1 4.29Å; I501-F511 HydrophobicContact CG2-CE1 3.98Å
512	T	98.2	Very high	90.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	171.5	-176.2	61.3	0	0	0	0	110.4	Y500 H509 W612 Q658 F659 D660	Y500-T512 PolarHBondContact N-O 2.98Å; Y500-T512 PolarHBondContact O-N 3.35Å; H509-T512 HydrophobicContact CB-CG2 4.03Å; T512-W612 HydrophobicContact CG2-CH2 3.67Å; T512-W612 HydrophobicContact CG2-CZ2 3.8Å; T512-Q658 PolarHBondContact OG1-OE1 3.08Å; T512-F659 WeakPolarHBondContact CB-O 3.22Å; T512-D660 HydrophobicContact CG2-CB 4.18Å
513	L	98.8	Very high	91.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.6	162.8	-172	75.4	0	0	0	108.4	F477 A487 F490 F497 E498 I649 Q658 F659	F477-L513 HydrophobicContact CD1-CB 4.18Å; F477-L513 HydrophobicContact CD2-CB 3.94Å; F477-L513 HydrophobicContact CE1-CB 4.11Å; F477-L513 HydrophobicContact CE1-CD2 4.27Å; F477-L513 HydrophobicContact CE2-CB 3.87Å; F477-L513 HydrophobicContact CG-CB 4.09Å; F477-L513 HydrophobicContact CZ-CB 3.95Å; F477-L513 HydrophobicContact CZ-CD2 4.18Å; A487-L513 HydrophobicContact CB-CD1 4.12Å; F490-L513 HydrophobicContact CD1-CD2 4.49Å; F490-L513 HydrophobicContact CG-CD2 4.49Å; F497-L513 HydrophobicContact CB-CD1 4.25Å; F497-L513 HydrophobicContact CB-CD2 4.15Å; F497-L513 HydrophobicContact CB-CG 4.12Å; F497-L513 HydrophobicContact CD1-CD2 4.38Å; E498-L513 CarbonylContact O-C 3.58Å; E498-L513 WeakPolarHBondContact O-CA 3.31Å; L513-I649 HydrophobicContact CD2-CD1 3.97Å; L513-Q658 CarbonylContact O-C 3.55Å; L513-Q658 WeakPolarHBondContact O-CA 3.49Å; L513-F659 HydrophobicContact CB-CB 4.45Å; L513-F659 PolarHBondContact N-O 2.92Å; L513-F659 PolarHBondContact O-N 3.05Å
514	R	98.8	Very high	92	Very high	30 Å²	30	42.9 Å²	42.9	11%	0.113	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.3	-173.9	-170.4	172.3	-173.3	-118.4	11.6	111.7	F497 E498 Y500 V516 E552 A657 Q658	F497-R514 CarbonylContact C-O 3.52Å; F497-R514 VanDerWaalsContact CA-O 3.31Å; F497-R514 WeakPolarHBondContact CA-O 3.36Å; E498-R514 PolarHBondContact N-O 2.91Å; E498-R514 PolarHBondContact O-N 3.39Å; Y500-R514 HydrophobicContact CG-CB 4.04Å; Y500-R514 HydrophobicContact CG-CG 4.47Å; R514-V516 HydrophobicContact CG-CG1 4.42Å; R514-E552 IonicContact CZ-OE1 2.74Å; R514-E552 IonicContact CZ-OE2 3.95Å; R514-E552 IonicContact NE-OE1 3.16Å; R514-E552 PolarHBondContact NE-OE1 3.07Å; R514-E552 IonicContact NE-OE2 3.66Å; R514-E552 VanDerWaalsContact NH2-CD 3.28Å; R514-E552 IonicContact NH2-OE1 3.83Å; R514-E552 PolarHBondContact NH2-OE1 3.13Å; R514-E552 VanDerWaalsContact NH2-OE1 3.17Å; R514-E552 IonicContact NH2-OE2 3.45Å; R514-E552 PolarHBondContact NH2-OE2 2.86Å; R514-A657 CarbonylContact C-O 3.6Å; R514-A657 VanDerWaalsContact CA-O 3.32Å; R514-A657 WeakPolarHBondContact CA-O 3.47Å; R514-A657 WeakPolarHBondContact CG-O 3.39Å; R514-Q658 HydrophobicContact CB-CG 4.01Å; R514-Q658 HydrophobicContact CG-CG 3.7Å
515	Q	98.8	Very high	93	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.8	166.9	-159.5	-65.5	101.3	0	0	108.5	V496 F497 V517 T531 T651 E655 L656 A657	V496-Q515 WeakPolarHBondContact O-CA 3.44Å; V496-Q515 PolarHBondContact O-OE1 2.92Å; F497-Q515 HydrophobicContact CD1-CB 4.08Å; F497-Q515 HydrophobicContact CD1-CG 4.34Å; F497-Q515 HydrophobicContact CE1-CB 3.89Å; F497-Q515 HydrophobicContact CE1-CG 3.93Å; F497-Q515 HydrophobicContact CE2-CG 4.12Å; F497-Q515 HydrophobicContact CZ-CB 4.3Å; F497-Q515 HydrophobicContact CZ-CG 3.81Å; Q515-V517 PolarHBondContact NE2-O 2.82Å; Q515-V517 PolarHBondContact OE1-O 3.06Å; Q515-T531 HydrophobicContact CG-CG2 3.96Å; Q515-T531 WeakPolarHBondContact CG-OG1 3.34Å; Q515-T651 HydrophobicContact CB-CG2 3.96Å; Q515-T651 HydrophobicContact CG-CG2 4.08Å; Q515-E655 PolarHBondContact NE2-O 3.15Å; Q515-L656 WeakPolarHBondContact O-CA 3.34Å; Q515-L656 WeakPolarHBondContact O-CD2 3.44Å; Q515-A657 PolarHBondContact N-O 2.86Å
516	V	98.6	Very high	94.2	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.048	21%	0.208	C	C	.	.			trans	-107.5	-18.3	-169.5	-61.7	0	0	0	0	114.8	Y104 V496 E498 R514 T518 L656	Y104-V516 PolarHBondContact OH-O 3.33Å; V496-V516 HydrophobicContact CB-CG2 4.08Å; V496-V516 HydrophobicContact CG1-CG2 4.08Å; V496-V516 PolarHBondContact O-N 3Å; E498-V516 HydrophobicContact CB-CG1 4.27Å; E498-V516 HydrophobicContact CG-CG1 4.23Å; E498-V516 HydrophobicContact CG-CG2 4.05Å; R514-V516 HydrophobicContact CG-CG1 4.42Å; V516-T518 PolarHBondContact O-N 3.25Å; V516-L656 WeakPolarHBondContact O-CD2 3.26Å
517	V	97.8	Very high	95.7	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.036	18%	0.175	C	C	.	.			trans	-78.1	121.8	-177.4	-172.3	0	0	0	0	110.4	D90 V496 Q515 E519 P521 F654 E655	D90-V517 HydrophobicContact CB-CG2 3.96Å; V496-V517 HydrophobicContact CB-CG2 3.7Å; V496-V517 HydrophobicContact CG2-CG2 3.75Å; Q515-V517 PolarHBondContact NE2-O 2.82Å; Q515-V517 PolarHBondContact OE1-O 3.06Å; V517-E519 WeakPolarHBondContact CG1-O 3.11Å; V517-P521 HydrophobicContact CG1-CG 4.48Å; V517-F654 HydrophobicContact CB-CD1 4.07Å; V517-F654 HydrophobicContact CG1-CD1 3.59Å; V517-F654 HydrophobicContact CG1-CE1 4.2Å; V517-F654 CarbonylContact O-C 3.57Å; V517-E655 PolarHBondContact O-N 3.43Å
518	T	96.1	Very high	96.8	Very high	63 Å²	63	30 Å²	30	39%	0.387	16%	0.161	S	C	.	.			trans	-106.5	-3	-174.9	59.3	0	0	0	0	114.9	Y104 V516 F654 L656	Y104-T518 HydrophobicContact CE1-CG2 3.98Å; Y104-T518 WeakPolarHBondContact CE1-OG1 3.46Å; V516-T518 PolarHBondContact O-N 3.25Å; T518-F654 CarbonylContact C-O 3.58Å; T518-F654 VanDerWaalsContact CA-O 3.31Å; T518-F654 WeakPolarHBondContact CA-O 3.23Å; T518-F654 VanDerWaalsContact O-O 3.06Å; T518-L656 HydrophobicContact CG2-CD1 4.04Å; T518-L656 HydrophobicContact CG2-CD2 3.55Å; T518-L656 HydrophobicContact CG2-CG 3.63Å
519	E	95.6	Very high	97.3	Very high	71 Å²	71	27.7 Å²	27.7	33%	0.332	14%	0.142	S	C	.	.	S	Bend	trans	-146.4	152.1	175.1	64.1	-179.9	170.2	0	0	109.6	W141 V517 P521	W141-E519 VanDerWaalsContact CA-OE1 3.3Å; W141-E519 WeakPolarHBondContact CA-OE1 3.2Å; W141-E519 VanDerWaalsContact CB-OE1 3.29Å; W141-E519 WeakPolarHBondContact CB-OE1 3.47Å; W141-E519 PolarHBondContact N-OE1 2.93Å; V517-E519 WeakPolarHBondContact CG1-O 3.11Å; E519-P521 WeakPolarHBondContact O-CD 3.44Å
520	R	97.6	Very high	97.5	Very high	94 Å²	94	27.4 Å²	27.4	36%	0.355	14%	0.141	S	C	.	.			trans	-62.6	129.4	177.1	169.3	170	-93.4	146.8	-1.5	109.8	T523 D527 A528 D529 F654	R520-T523 HydrophobicContact CG-CG2 4.04Å; R520-D527 PolarHBondContact NH2-O 2.94Å; R520-A528 PolarHBondContact NH2-O 2.94Å; R520-D529 IonicContact CZ-OD1 3.12Å; R520-D529 IonicContact NH1-OD1 4Å; R520-D529 PolarHBondContact NH1-OD1 3.21Å; R520-D529 IonicContact NH2-OD1 3.98Å; R520-D529 PolarHBondContact NH2-OD1 3.1Å; R520-F654 HydrophobicContact CB-CD2 3.86Å; R520-F654 HydrophobicContact CB-CE2 3.7Å; R520-F654 HydrophobicContact CB-CZ 4.23Å; R520-F654 HydrophobicContact CG-CE2 4.11Å; R520-F654 HydrophobicContact CG-CZ 4.35Å
521	P	98.3	Very high	97.7	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.032	13%	0.131	C	C	.	.			trans	-62	170.2	173.6	-22.6	32.4	0	0	0	113.9	D90 A91 F138 V517 E519 T523 F654	D90-P521 HydrophobicContact CB-CG 4.01Å; D90-P521 VanDerWaalsContact O-CG 3.3Å; D90-P521 WeakPolarHBondContact O-CG 3.48Å; A91-P521 HydrophobicContact CB-CB 3.7Å; A91-P521 HydrophobicContact CB-CG 3.94Å; F138-P521 WeakPolarHBondContact O-CB 3.39Å; V517-P521 HydrophobicContact CG1-CG 4.48Å; E519-P521 WeakPolarHBondContact O-CD 3.44Å; P521-T523 WeakPolarHBondContact O-CG2 3.36Å; P521-T523 PolarHBondContact O-N 2.98Å; P521-T523 VanDerWaalsContact O-N 3.11Å; P521-F654 HydrophobicContact CG-CE1 4.45Å
522	I	98.6	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-72.4	97.3	159.3	-53.5	-177.4	0	0	0	107.5	A137 F138 V142 N147 P149 W181	A137-I522 WeakPolarHBondContact CB-O 3.35Å; F138-I522 HydrophobicContact CB-CB 4.09Å; F138-I522 HydrophobicContact CB-CD1 4.01Å; F138-I522 HydrophobicContact CB-CG1 4.3Å; F138-I522 PolarHBondContact N-O 3.3Å; F138-I522 WeakPolarHBondContact O-CB 3.49Å; F138-I522 PolarHBondContact O-N 2.91Å; V142-I522 HydrophobicContact CB-CD1 4.28Å; V142-I522 HydrophobicContact CG1-CD1 4.4Å; N147-I522 WeakPolarHBondContact OD1-CA 3.44Å; N147-I522 VanDerWaalsContact OD1-CG2 3.25Å; N147-I522 WeakPolarHBondContact OD1-CG2 3.11Å; P149-I522 HydrophobicContact CB-CD1 4.02Å; W181-I522 HydrophobicContact CH2-CG2 4.17Å; W181-I522 HydrophobicContact CZ2-CG2 3.91Å
523	T	97.9	Very high	97.9	Very high	22 Å²	22	23.9 Å²	23.9	14%	0.135	12%	0.123	C	C	.	.			trans	-77.4	139.2	-165.5	61.5	0	0	0	0	112.6	N147 R520 P521 A525 D527	N147-T523 PolarHBondContact ND2-OG1 3.35Å; N147-T523 PolarHBondContact OD1-N 2.87Å; R520-T523 HydrophobicContact CG-CG2 4.04Å; P521-T523 WeakPolarHBondContact O-CG2 3.36Å; P521-T523 PolarHBondContact O-N 2.98Å; P521-T523 VanDerWaalsContact O-N 3.11Å; T523-A525 WeakPolarHBondContact CB-O 3.3Å; T523-A525 PolarHBondContact OG1-O 3.31Å; T523-D527 WeakPolarHBondContact CB-OD2 3.43Å; T523-D527 HydrophobicContact CG2-CB 3.99Å; T523-D527 VanDerWaalsContact CG2-OD2 3.32Å; T523-D527 WeakPolarHBondContact CG2-OD2 3.45Å
524	W	98.3	Very high	97.9	Very high	17 Å²	17	23.9 Å²	23.9	6%	0.064	12%	0.123	C	C	.	.	S	Bend	trans	-85.6	-57.9	165.1	-173.5	86.1	0	0	0	110	T93 T94 W136 A137 N182 R184 Q570	T93-W524 HydrophobicContact CG2-CB 4.21Å; T93-W524 WeakPolarHBondContact O-CZ3 3.46Å; T94-W524 WeakPolarHBondContact OG1-CH2 3.5Å; T94-W524 VanDerWaalsContact OG1-CZ3 3.27Å; T94-W524 WeakPolarHBondContact OG1-CZ3 3.26Å; W136-W524 HydrophobicContact CB-CB 4.34Å; W136-W524 HydrophobicContact CB-CG 4.21Å; W136-W524 AromaticContact CD1-CD2 3.74Å; W136-W524 AromaticContact CD1-CE2 3.59Å; W136-W524 AromaticContact CD1-CZ2 3.92Å; W136-W524 AromaticContact CD1-NE1 3.81Å; W136-W524 VanDerWaalsContact O-CB 3.32Å; W136-W524 WeakPolarHBondContact O-CB 3.25Å; W136-W524 VanDerWaalsContact O-CD1 3.3Å; A137-W524 HydrophobicContact CB-CB 4.34Å; N182-W524 PolarHBondContact O-NE1 3.14Å; R184-W524 PolarHBondContact NH2-O 2.86Å; W524-Q570 HydrophobicContact CZ3-CG 4.32Å
525	A	96.4	Very high	97.9	Very high	11 Å²	11	22.5 Å²	22.5	9%	0.091	12%	0.118	C	C	.	.	S	Bend	trans	-81.8	-167.7	176.1	0	0	0	0	0	112.1	Q92 T523 D527 Q570	Q92-A525 HydrophobicContact CB-CB 4.02Å; Q92-A525 HydrophobicContact CG-CB 3.62Å; Q92-A525 WeakPolarHBondContact O-CB 3.32Å; Q92-A525 PolarHBondContact O-N 2.94Å; T523-A525 WeakPolarHBondContact CB-O 3.3Å; T523-A525 PolarHBondContact OG1-O 3.31Å; A525-D527 PolarHBondContact O-N 3.36Å; A525-Q570 HydrophobicContact CB-CG 4.33Å
526	T	95.3	Very high	97.9	Very high	86 Å²	86	22.6 Å²	22.6	53%	0.528	12%	0.119	S	C	.	.			trans	-98	68.6	172.6	-47.4	0	0	0	0	109.5
527	D	97.7	Very high	97.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.12	C	C	.	.			trans	-46.2	146.9	175.1	-65.2	-121	0	0	0	111.7	A91 Q92 T494 R520 T523 A525 R573	A91-D527 WeakPolarHBondContact CA-OD1 3.36Å; Q92-D527 PolarHBondContact N-OD1 3Å; T494-D527 HydrophobicContact CG2-CB 4.09Å; R520-D527 PolarHBondContact NH2-O 2.94Å; T523-D527 WeakPolarHBondContact CB-OD2 3.43Å; T523-D527 HydrophobicContact CG2-CB 3.99Å; T523-D527 VanDerWaalsContact CG2-OD2 3.32Å; T523-D527 WeakPolarHBondContact CG2-OD2 3.45Å; A525-D527 PolarHBondContact O-N 3.36Å; D527-R573 PolarHBondContact O-NE 3.07Å; D527-R573 PolarHBondContact O-NH2 3.1Å
528	A	98.1	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.			trans	-66.1	161	172.3	0	0	0	0	0	110.9	T494 R520 Q530 V572 L594	T494-A528 HydrophobicContact CG2-CB 4.3Å; T494-A528 PolarHBondContact OG1-N 3.49Å; T494-A528 VanDerWaalsContact OG1-N 3.1Å; R520-A528 PolarHBondContact NH2-O 2.94Å; A528-Q530 WeakPolarHBondContact CB-O 3.49Å; A528-V572 HydrophobicContact CB-CG1 4.33Å; A528-V572 HydrophobicContact CB-CG2 4.41Å; A528-L594 HydrophobicContact CB-CD2 3.62Å
529	D	97.9	Very high	98	Very high	65 Å²	65	26.1 Å²	26.1	35%	0.348	13%	0.129	S	C	.	.	S	Bend	trans	-77.4	-17.1	171.9	-61.4	-39.7	0	0	0	111.6	R520 R573	R520-D529 IonicContact CZ-OD1 3.12Å; R520-D529 IonicContact NH1-OD1 4Å; R520-D529 PolarHBondContact NH1-OD1 3.21Å; R520-D529 IonicContact NH2-OD1 3.98Å; R520-D529 PolarHBondContact NH2-OD1 3.1Å; D529-R573 VanDerWaalsContact CG-NH1 3.27Å; D529-R573 IonicContact OD1-CZ 3.72Å; D529-R573 IonicContact OD1-NH1 2.77Å; D529-R573 PolarHBondContact OD1-NH1 3.03Å; D529-R573 IonicContact OD1-NH2 3.67Å; D529-R573 PolarHBondContact OD1-NH2 3.33Å; D529-R573 IonicContact OD2-CZ 3.78Å; D529-R573 IonicContact OD2-NH1 3.03Å; D529-R573 PolarHBondContact OD2-NH1 3.41Å; D529-R573 IonicContact OD2-NH2 3.94Å
530	Q	98.4	Very high	98.2	Very high	19 Å²	19	22.9 Å²	22.9	9%	0.089	11%	0.113	C	C	.	.	S	Bend	trans	-102	151	175.9	-62.1	67.2	41.7	0	0	109.2	T494 A528 W581 L594 T651 H652	T494-Q530 WeakPolarHBondContact CB-O 3.29Å; T494-Q530 WeakPolarHBondContact CG2-O 3.3Å; A528-Q530 WeakPolarHBondContact CB-O 3.49Å; Q530-W581 HydrophobicContact CB-CH2 4.3Å; Q530-W581 HydrophobicContact CG-CH2 3.71Å; Q530-W581 HydrophobicContact CG-CZ3 4.08Å; Q530-L594 HydrophobicContact CB-CD1 3.93Å; Q530-L594 HydrophobicContact CB-CG 4.2Å; Q530-L594 HydrophobicContact CG-CD1 4.36Å; Q530-L594 PolarHBondContact OE1-O 2.93Å; Q530-T651 WeakPolarHBondContact CA-O 3.1Å; Q530-T651 WeakPolarHBondContact CB-O 3.38Å; Q530-H652 WeakPolarHBondContact CG-O 3.25Å
531	T	98.8	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	150.6	167.5	77.1	0	0	0	0	109.9	T494 Q515 F560 G650 T651 F654	T494-T531 CarbonylContact O-C 3.58Å; T494-T531 WeakPolarHBondContact O-CA 3.43Å; T494-T531 VanDerWaalsContact O-CB 3.24Å; T494-T531 WeakPolarHBondContact O-CB 3.28Å; Q515-T531 HydrophobicContact CG-CG2 3.96Å; Q515-T531 WeakPolarHBondContact CG-OG1 3.34Å; T531-F560 WeakPolarHBondContact O-CE1 3.37Å; T531-G650 VanDerWaalsContact O-CA 3.31Å; T531-G650 WeakPolarHBondContact O-CA 3.23Å; T531-T651 WeakPolarHBondContact CB-OG1 3.4Å; T531-T651 WeakPolarHBondContact CG2-OG1 3.17Å; T531-T651 PolarHBondContact N-O 2.81Å; T531-T651 VanDerWaalsContact N-O 3.07Å; T531-T651 PolarHBondContact O-N 2.87Å; T531-T651 WeakPolarHBondContact OG1-CB 3.24Å; T531-T651 PolarHBondContact OG1-N 3.16Å; T531-T651 VanDerWaalsContact OG1-N 3.11Å; T531-T651 PolarHBondContact OG1-OG1 2.86Å; T531-F654 HydrophobicContact CG2-CD1 4.06Å; T531-F654 HydrophobicContact CG2-CE1 4.4Å; T531-F654 HydrophobicContact CG2-CG 4.44Å
532	V	98.9	Very high	98.2	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.018	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	135.8	-177.9	53.7	0	0	0	0	110.5	Q493 T494 V534 F560 V572 L594 A648 I649	Q493-V532 HydrophobicContact CB-CG1 4.11Å; Q493-V532 PolarHBondContact N-O 2.92Å; T494-V532 PolarHBondContact N-O 2.77Å; T494-V532 PolarHBondContact O-N 2.81Å; V532-V534 HydrophobicContact CG2-CG1 4.32Å; V532-F560 HydrophobicContact CB-CZ 3.96Å; V532-F560 HydrophobicContact CG2-CE2 4.34Å; V532-F560 HydrophobicContact CG2-CZ 3.95Å; V532-V572 HydrophobicContact CG1-CG2 3.59Å; V532-L594 HydrophobicContact CB-CD1 4.35Å; V532-L594 HydrophobicContact CB-CD2 4.46Å; V532-L594 HydrophobicContact CG1-CD2 3.79Å; V532-A648 HydrophobicContact CG2-CB 3.92Å; V532-I649 WeakPolarHBondContact CA-O 3.4Å
533	T	98.9	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.8	168.8	-172.9	0	0	0	0	109.6	F490 A491 D492 F497 A648 I649	F490-T533 HydrophobicContact CD1-CG2 3.76Å; F490-T533 HydrophobicContact CE1-CG2 4.46Å; A491-T533 VanDerWaalsContact C-OG1 3.32Å; A491-T533 PolarHBondContact N-OG1 3.05Å; D492-T533 PolarHBondContact N-OG1 2.78Å; D492-T533 WeakPolarHBondContact OD1-CB 3.37Å; D492-T533 PolarHBondContact OD1-OG1 2.83Å; F497-T533 HydrophobicContact CD1-CG2 3.89Å; F497-T533 HydrophobicContact CD2-CG2 3.98Å; F497-T533 HydrophobicContact CE1-CG2 3.92Å; F497-T533 HydrophobicContact CE2-CG2 4.02Å; F497-T533 HydrophobicContact CG-CG2 3.92Å; F497-T533 HydrophobicContact CZ-CG2 3.99Å; T533-A648 WeakPolarHBondContact O-CA 3.44Å; T533-A648 WeakPolarHBondContact O-CB 3.46Å; T533-I649 HydrophobicContact CG2-CD1 4.06Å; T533-I649 HydrophobicContact CG2-CG1 3.43Å; T533-I649 VanDerWaalsContact CG2-CG1 3.43Å; T533-I649 PolarHBondContact N-O 3.43Å; T533-I649 PolarHBondContact O-N 3.33Å
534	V	98.9	Very high	98.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	151.1	-176.3	-58.4	0	0	0	0	110.8	Y298 A491 Q493 V532 V565 W646 A647 A648	Y298-V534 HydrophobicContact CD2-CG2 4.44Å; A491-V534 HydrophobicContact CB-CG2 4.17Å; A491-V534 PolarHBondContact N-O 3.47Å; A491-V534 PolarHBondContact O-N 2.68Å; A491-V534 VanDerWaalsContact O-N 3.07Å; Q493-V534 HydrophobicContact CG-CB 4.47Å; Q493-V534 HydrophobicContact CG-CG1 3.96Å; Q493-V534 HydrophobicContact CG-CG2 3.81Å; V532-V534 HydrophobicContact CG2-CG1 4.32Å; V534-V565 HydrophobicContact CG1-CG1 4.07Å; V534-W646 HydrophobicContact CB-CB 3.99Å; V534-W646 HydrophobicContact CB-CD2 4.37Å; V534-W646 HydrophobicContact CB-CE3 4.38Å; V534-W646 HydrophobicContact CB-CG 4.24Å; V534-W646 HydrophobicContact CG1-CE3 4.4Å; V534-W646 HydrophobicContact CG2-CD2 4.3Å; V534-W646 HydrophobicContact CG2-CE3 4.34Å; V534-W646 HydrophobicContact CG2-CG 4.5Å; V534-A647 WeakPolarHBondContact CA-O 3.49Å; V534-A648 HydrophobicContact CG1-CB 4.13Å
535	I	98.9	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	147.2	179.5	-174.6	168.4	0	0	0	111.7	F469 Y473 N489 F490 A647 F662	F469-I535 HydrophobicContact CE2-CG1 4.49Å; F469-I535 HydrophobicContact CZ-CD1 4.32Å; F469-I535 HydrophobicContact CZ-CG1 4.02Å; Y473-I535 HydrophobicContact CD1-CD1 4.09Å; Y473-I535 HydrophobicContact CE1-CD1 3.59Å; N489-I535 HydrophobicContact CB-CD1 3.9Å; N489-I535 HydrophobicContact CB-CG1 4.03Å; F490-I535 HydrophobicContact CD1-CB 4.18Å; F490-I535 HydrophobicContact CD1-CD1 4.28Å; F490-I535 HydrophobicContact CD1-CG2 4.28Å; F490-I535 HydrophobicContact CD2-CD1 3.85Å; F490-I535 HydrophobicContact CE1-CB 4.28Å; F490-I535 HydrophobicContact CE1-CD1 4.12Å; F490-I535 HydrophobicContact CE1-CG2 3.92Å; F490-I535 HydrophobicContact CE2-CD1 3.66Å; F490-I535 HydrophobicContact CG-CD1 4.17Å; F490-I535 HydrophobicContact CZ-CD1 3.81Å; F490-I535 HydrophobicContact CZ-CG2 4.43Å; I535-A647 HydrophobicContact CG2-CB 4.18Å; I535-A647 PolarHBondContact N-O 3.38Å; I535-A647 PolarHBondContact O-N 2.71Å; I535-F662 HydrophobicContact CD1-CE1 4.37Å; I535-F662 HydrophobicContact CG2-CE1 3.96Å; I535-F662 HydrophobicContact CG2-CE2 4.35Å; I535-F662 HydrophobicContact CG2-CZ 3.55Å
536	G	98.6	Very high	98.4	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.021	14%	0.138	C	C	.	.	S	Bend	trans	108.3	-143.3	163.4	0	0	0	0	0	113.9	Y298	Y298-G536 WeakPolarHBondContact CE1-O 3.42Å; Y298-G536 PolarHBondContact OH-N 2.82Å
537	D	98.6	Very high	98.5	Very high	15 Å²	15	23.1 Å²	23.1	8%	0.08	11%	0.113	C	C	.	.			trans	-104.4	122.4	-178.6	-163.7	-45.3	0	0	0	111	R468 F469 Q539 W540	R468-D537 WeakPolarHBondContact CB-OD2 3.33Å; R468-D537 IonicContact CZ-OD1 3.22Å; R468-D537 IonicContact CZ-OD2 3.17Å; R468-D537 IonicContact NE-OD1 3.78Å; R468-D537 IonicContact NE-OD2 2.69Å; R468-D537 PolarHBondContact NE-OD2 2.94Å; R468-D537 IonicContact NH2-OD1 3.92Å; R468-D537 PolarHBondContact NH2-OD1 3.28Å; R468-D537 IonicContact NH2-OD2 2.8Å; R468-D537 PolarHBondContact NH2-OD2 3.05Å; F469-D537 HydrophobicContact CB-CB 3.88Å; D537-Q539 PolarHBondContact O-N 2.89Å; D537-Q539 VanDerWaalsContact O-N 3.12Å; D537-Q539 WeakPolarHBondContact OD1-CA 3.46Å; D537-Q539 WeakPolarHBondContact OD1-CB 3.42Å; D537-Q539 WeakPolarHBondContact OD1-CG 3.27Å; D537-Q539 PolarHBondContact OD1-N 3.38Å; D537-W540 HydrophobicContact CB-CD2 3.65Å; D537-W540 VanDerWaalsContact CB-CE2 3.41Å; D537-W540 HydrophobicContact CB-CE3 4.36Å; D537-W540 HydrophobicContact CB-CG 3.81Å; D537-W540 HydrophobicContact CB-CZ2 3.95Å; D537-W540 WeakPolarHBondContact O-CB 3.36Å; D537-W540 PolarHBondContact O-N 2.89Å; D537-W540 VanDerWaalsContact O-N 3.1Å
538	Y	98.5	Very high	98.6	Very high	49 Å²	49	24.1 Å²	24.1	19%	0.192	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.6	177.5	-174.9	-100.8	0	0	0	112.9	E300 W540 D566 N644 G645 W646	E300-Y538 HydrophobicContact CB-CD1 3.83Å; E300-Y538 HydrophobicContact CB-CD2 3.92Å; E300-Y538 HydrophobicContact CB-CE1 4.2Å; E300-Y538 HydrophobicContact CB-CE2 4.29Å; E300-Y538 HydrophobicContact CB-CG 3.67Å; E300-Y538 VanDerWaalsContact CD-CB 3.43Å; E300-Y538 HydrophobicContact CG-CD1 3.45Å; E300-Y538 VanDerWaalsContact CG-CD1 3.45Å; E300-Y538 HydrophobicContact CG-CD2 4.42Å; E300-Y538 HydrophobicContact CG-CE1 4.01Å; E300-Y538 HydrophobicContact CG-CG 3.68Å; Y538-W540 VanDerWaalsContact C-N 3.27Å; Y538-W540 PolarHBondContact O-N 3.1Å; Y538-D566 WeakPolarHBondContact CE2-O 3.47Å; Y538-D566 PolarHBondContact OH-O 2.87Å; Y538-N644 WeakPolarHBondContact CD1-ND2 3.11Å; Y538-N644 WeakPolarHBondContact CE1-ND2 3.23Å; Y538-N644 WeakPolarHBondContact O-CB 3.36Å; Y538-N644 PolarHBondContact O-ND2 3.01Å; Y538-G645 WeakPolarHBondContact O-CA 3.28Å; Y538-G645 PolarHBondContact O-N 2.79Å; Y538-W646 AromaticContact CD2-CD2 3.77Å; Y538-W646 HydrophobicContact CD2-CD2 3.77Å; Y538-W646 AromaticContact CD2-CE2 3.63Å; Y538-W646 AromaticContact CD2-CE3 3.82Å; Y538-W646 HydrophobicContact CD2-CE3 3.82Å; Y538-W646 AromaticContact CD2-CH2 3.61Å; Y538-W646 HydrophobicContact CD2-CH2 3.61Å; Y538-W646 AromaticContact CD2-CZ2 3.56Å; Y538-W646 HydrophobicContact CD2-CZ2 3.56Å; Y538-W646 AromaticContact CD2-CZ3 3.73Å; Y538-W646 HydrophobicContact CD2-CZ3 3.73Å; Y538-W646 HydrophobicContact CE2-CE3 4.25Å; Y538-W646 AromaticContact CE2-CH2 4Å; Y538-W646 HydrophobicContact CE2-CH2 4Å; Y538-W646 HydrophobicContact CE2-CZ2 4.4Å; Y538-W646 AromaticContact CE2-CZ3 3.92Å; Y538-W646 HydrophobicContact CE2-CZ3 3.92Å; Y538-W646 HydrophobicContact CG-CZ2 4.15Å
539	Q	98.3	Very high	98.6	Very high	88 Å²	88	24.2 Å²	24.2	41%	0.411	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	0.9	-178.3	-52.5	-63.9	-35.8	0	0	112.9	E300 R468 D537 Q541	E300-Q539 PolarHBondContact OE1-NE2 2.72Å; R468-Q539 VanDerWaalsContact NH2-CB 3.32Å; D537-Q539 PolarHBondContact O-N 2.89Å; D537-Q539 VanDerWaalsContact O-N 3.12Å; D537-Q539 WeakPolarHBondContact OD1-CA 3.46Å; D537-Q539 WeakPolarHBondContact OD1-CB 3.42Å; D537-Q539 WeakPolarHBondContact OD1-CG 3.27Å; D537-Q539 PolarHBondContact OD1-N 3.38Å; Q539-Q541 PolarHBondContact O-N 3.25Å
540	W	98.6	Very high	98.6	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.008	11%	0.107	C	C	.	.			trans	-68.1	129.7	175.4	-71.2	-23.9	0	0	0	111.9	F469 P470 D537 Y538 M543 N644 G645 V664 A666	F469-W540 HydrophobicContact CB-CZ2 4.26Å; F469-W540 AromaticContact CD1-CH2 3.42Å; F469-W540 HydrophobicContact CD1-CH2 3.42Å; F469-W540 VanDerWaalsContact CD1-CH2 3.42Å; F469-W540 AromaticContact CD1-CZ2 3.57Å; F469-W540 HydrophobicContact CD1-CZ2 3.57Å; F469-W540 AromaticContact CE1-CH2 3.84Å; F469-W540 HydrophobicContact CE1-CH2 3.84Å; F469-W540 HydrophobicContact CE1-CZ2 4.4Å; F469-W540 HydrophobicContact CG-CH2 4.34Å; F469-W540 HydrophobicContact CG-CZ2 4.32Å; P470-W540 VanDerWaalsContact O-CZ2 3.26Å; P470-W540 WeakPolarHBondContact O-CZ2 3.21Å; D537-W540 HydrophobicContact CB-CD2 3.65Å; D537-W540 VanDerWaalsContact CB-CE2 3.41Å; D537-W540 HydrophobicContact CB-CE3 4.36Å; D537-W540 HydrophobicContact CB-CG 3.81Å; D537-W540 HydrophobicContact CB-CZ2 3.95Å; D537-W540 WeakPolarHBondContact O-CB 3.36Å; D537-W540 PolarHBondContact O-N 2.89Å; D537-W540 VanDerWaalsContact O-N 3.1Å; Y538-W540 VanDerWaalsContact C-N 3.27Å; Y538-W540 PolarHBondContact O-N 3.1Å; W540-M543 HydrophobicContact CB-CE 3.42Å; W540-M543 VanDerWaalsContact CB-CE 3.42Å; W540-M543 HydrophobicContact CE3-CE 4.44Å; W540-M543 HydrophobicContact CG-CE 4.5Å; W540-M543 WeakPolarHBondContact O-CE 3.35Å; W540-N644 WeakPolarHBondContact O-CA 3.2Å; W540-N644 WeakPolarHBondContact O-CB 3.19Å; W540-G645 PolarHBondContact O-N 2.86Å; W540-G645 VanDerWaalsContact O-N 3.17Å; W540-V664 HydrophobicContact CE3-CG2 4.35Å; W540-V664 HydrophobicContact CH2-CG1 3.93Å; W540-V664 HydrophobicContact CH2-CG2 4.38Å; W540-V664 HydrophobicContact CZ3-CG1 4Å; W540-V664 HydrophobicContact CZ3-CG2 3.84Å; W540-A666 HydrophobicContact CB-CB 4.22Å; W540-A666 VanDerWaalsContact CD1-CB 3.47Å; W540-A666 HydrophobicContact CD2-CB 3.5Å; W540-A666 VanDerWaalsContact CD2-CB 3.5Å; W540-A666 VanDerWaalsContact CE2-CB 3.5Å; W540-A666 HydrophobicContact CE3-CB 4.19Å; W540-A666 HydrophobicContact CG-CB 3.5Å; W540-A666 VanDerWaalsContact CG-CB 3.5Å; W540-A666 HydrophobicContact CZ2-CB 4.18Å
541	Q	98	Very high	98.5	Very high	108 Å²	108	21.5 Å²	21.5	51%	0.505	10%	0.104	S	C	.	.			trans	-109.5	-52.5	179.4	-63.2	-179.3	33.9	0	0	111.4	Q539 R564 K643 N644	Q539-Q541 PolarHBondContact O-N 3.25Å; Q541-R564 PolarHBondContact O-NE 3.36Å; Q541-R564 PolarHBondContact O-NH2 3.42Å; Q541-K643 WeakPolarHBondContact CA-O 3.48Å; Q541-K643 WeakPolarHBondContact CB-O 3.49Å; Q541-K643 WeakPolarHBondContact CG-O 3.18Å; Q541-N644 HydrophobicContact CG-CB 3.88Å
542	N	98.3	Very high	98.4	Very high	34 Å²	34	23.4 Å²	23.4	18%	0.182	11%	0.113	C	C	.	.	S	Bend	trans	-101.9	125.5	176.6	-57.9	-28.7	0	0	0	108	V619 K620 G621 A666 E667	N542-V619 CarbonylContact C-O 3.55Å; N542-V619 VanDerWaalsContact CA-O 3.23Å; N542-V619 WeakPolarHBondContact CA-O 3.35Å; N542-K620 WeakPolarHBondContact OD1-CA 3.42Å; N542-G621 PolarHBondContact OD1-N 3.27Å; N542-A666 WeakPolarHBondContact O-CA 3.47Å; N542-E667 HydrophobicContact CB-CB 4.05Å; N542-E667 HydrophobicContact CB-CG 3.92Å; N542-E667 WeakPolarHBondContact CB-OE2 3.44Å; N542-E667 PolarHBondContact ND2-OE2 2.91Å; N542-E667 PolarHBondContact O-N 3.04Å
543	M	98.2	Very high	98.1	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.03	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154.6	-180	68	-173.6	81.1	0	0	112.3	W540 V545 A563 R564 V619 G645 A647 V664 L665 A666	W540-M543 HydrophobicContact CB-CE 3.42Å; W540-M543 VanDerWaalsContact CB-CE 3.42Å; W540-M543 HydrophobicContact CE3-CE 4.44Å; W540-M543 HydrophobicContact CG-CE 4.5Å; W540-M543 WeakPolarHBondContact O-CE 3.35Å; M543-V545 HydrophobicContact CG-CG2 4.23Å; M543-V545 HydrophobicContact SD-CG2 4.09Å; M543-A563 HydrophobicContact CE-CB 4.5Å; M543-A563 HydrophobicContact CG-CB 3.67Å; M543-A563 HydrophobicContact SD-CB 3.55Å; M543-A563 VanDerWaalsContact SD-CB 3.55Å; M543-R564 HydrophobicContact CE-CG 4.17Å; M543-V619 PolarHBondContact N-O 2.8Å; M543-V619 PolarHBondContact O-N 2.87Å; M543-G645 WeakPolarHBondContact CE-O 3.37Å; M543-A647 HydrophobicContact SD-CB 4.33Å; M543-V664 HydrophobicContact CB-CG2 4.43Å; M543-L665 CarbonylContact C-O 3.51Å; M543-L665 WeakPolarHBondContact CA-O 3.38Å; M543-A666 HydrophobicContact CB-CB 4.21Å
544	M	98.8	Very high	97.6	Very high	72 Å²	72	29.4 Å²	29.4	36%	0.355	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.9	166.3	-179.1	-178.3	-68.9	0	0	108.3	T546 L617 V664 L665	M544-T546 HydrophobicContact CG-CG2 4.3Å; M544-L617 CarbonylContact C-O 3.5Å; M544-L617 VanDerWaalsContact CA-O 3.25Å; M544-L617 WeakPolarHBondContact CA-O 2.96Å; M544-V664 CarbonylContact O-C 3.53Å; M544-V664 VanDerWaalsContact O-CA 3.28Å; M544-V664 WeakPolarHBondContact O-CA 3.09Å; M544-L665 PolarHBondContact N-O 2.87Å; M544-L665 PolarHBondContact O-N 3.12Å
545	V	98.9	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.9	176.7	-175.9	0	0	0	0	108.1	M543 V561 A563 S616 L617 A647 F662 V664	M543-V545 HydrophobicContact CG-CG2 4.23Å; M543-V545 HydrophobicContact SD-CG2 4.09Å; V545-V561 HydrophobicContact CG1-CB 4.24Å; V545-A563 HydrophobicContact CG2-CB 4.35Å; V545-S616 CarbonylContact O-C 3.52Å; V545-S616 WeakPolarHBondContact O-CA 3.4Å; V545-L617 PolarHBondContact N-O 2.89Å; V545-L617 PolarHBondContact O-N 2.82Å; V545-A647 HydrophobicContact CG1-CB 4.47Å; V545-A647 HydrophobicContact CG2-CB 3.71Å; V545-F662 HydrophobicContact CG1-CE2 3.81Å; V545-F662 HydrophobicContact CG1-CZ 4.31Å; V545-V664 HydrophobicContact CG2-CG2 4.06Å
546	T	98.9	Very high	96.3	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.123	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.1	177.3	55.3	0	0	0	0	110.2	M544 L615 F662 N663	M544-T546 HydrophobicContact CG-CG2 4.3Å; T546-L615 CarbonylContact C-O 3.58Å; T546-L615 WeakPolarHBondContact CA-O 3.33Å; T546-F662 WeakPolarHBondContact O-CA 3.29Å; T546-N663 PolarHBondContact N-O 2.93Å; T546-N663 PolarHBondContact O-N 2.91Å; T546-N663 VanDerWaalsContact OG1-CB 3.29Å; T546-N663 WeakPolarHBondContact OG1-CB 3.34Å; T546-N663 PolarHBondContact OG1-ND2 2.84Å; T546-N663 PolarHBondContact OG1-O 3Å
547	C	98.9	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	140.8	176.4	-158	0	0	0	0	109.4	V549 V561 L615 I649 D660 F662	C547-V549 HydrophobicContact CB-CG1 4.48Å; C547-V561 HydrophobicContact CB-CG1 3.67Å; C547-L615 PolarHBondContact N-O 3.44Å; C547-L615 PolarHBondContact O-N 3.39Å; C547-I649 HydrophobicContact CB-CG2 4.36Å; C547-D660 PolarHBondContact SG-O 3.29Å; C547-D660 VanDerWaalsContact SG-O 3.38Å; C547-F662 HydrophobicContact CB-CD2 4.39Å
548	D	98.8	Very high	95.9	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.123	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137	164.3	-61.8	-26.5	0	0	0	108.4	H509 W612 H613 N614 F659 D660 N661	H509-D548 IonicContact CE1-OD2 2.88Å; H509-D548 PolarHBondContact CE1-OD2 3.19Å; D548-W612 HydrophobicContact CB-CE3 3.86Å; D548-W612 HydrophobicContact CB-CZ3 4.03Å; D548-H613 CarbonylContact C-O 3.51Å; D548-H613 WeakPolarHBondContact CA-O 3.15Å; D548-N614 WeakPolarHBondContact OD1-CB 3.41Å; D548-N614 PolarHBondContact OD1-ND2 2.94Å; D548-F659 CarbonylContact O-C 3.57Å; D548-F659 VanDerWaalsContact O-CA 3.28Å; D548-F659 WeakPolarHBondContact O-CA 3.49Å; D548-D660 HydrophobicContact CB-CB 4.18Å; D548-D660 WeakPolarHBondContact CB-O 3.33Å; D548-D660 PolarHBondContact N-O 3.37Å; D548-D660 PolarHBondContact O-N 3.41Å; D548-N661 WeakPolarHBondContact OD2-CB 3.22Å; D548-N661 PolarHBondContact OD2-ND2 2.78Å
549	V	98.5	Very high	96	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.4	-175	-56.1	0	0	0	0	111.5	C547 V559 V582 H613 L615 Q658 F659	C547-V549 HydrophobicContact CB-CG1 4.48Å; V549-V559 HydrophobicContact CB-CB 4.42Å; V549-V559 HydrophobicContact CB-CG2 3.79Å; V549-V559 HydrophobicContact CG1-CG2 4.36Å; V549-V559 HydrophobicContact CG2-CG2 3.61Å; V549-V582 HydrophobicContact CG2-CG2 4.4Å; V549-H613 HydrophobicContact CG2-CB 4.24Å; V549-H613 PolarHBondContact N-O 2.96Å; V549-H613 PolarHBondContact O-N 3.21Å; V549-L615 HydrophobicContact CG1-CD1 4.06Å; V549-L615 HydrophobicContact CG1-CG 4.3Å; V549-L615 HydrophobicContact CG2-CD1 3.91Å; V549-L615 HydrophobicContact CG2-CG 3.88Å; V549-Q658 WeakPolarHBondContact CA-O 3.37Å; V549-F659 HydrophobicContact CG1-CD1 3.92Å; V549-F659 HydrophobicContact CG1-CE1 4.15Å
550	F	97.3	Very high	96	Very high	25 Å²	25	33.6 Å²	33.6	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	121.3	-179.4	-173.6	-97.8	0	0	0	110.7	E552 F610 W612 A657 Q658	F550-E552 HydrophobicContact CD1-CG 3.81Å; F550-E552 HydrophobicContact CE1-CG 3.8Å; F550-F610 HydrophobicContact CE1-CD1 4Å; F550-F610 VanDerWaalsContact CE2-CA 3.49Å; F550-F610 HydrophobicContact CE2-CB 4.43Å; F550-F610 WeakPolarHBondContact CE2-O 3.22Å; F550-F610 VanDerWaalsContact CZ-CA 3.5Å; F550-F610 HydrophobicContact CZ-CB 4.09Å; F550-F610 AromaticContact CZ-CD1 3.81Å; F550-F610 HydrophobicContact CZ-CD1 3.81Å; F550-F610 HydrophobicContact CZ-CG 4.44Å; F550-W612 HydrophobicContact CB-CD2 3.76Å; F550-W612 HydrophobicContact CB-CE3 3.79Å; F550-W612 HydrophobicContact CB-CG 4.5Å; F550-W612 HydrophobicContact CB-CH2 3.73Å; F550-W612 HydrophobicContact CB-CZ2 3.66Å; F550-W612 HydrophobicContact CB-CZ3 3.78Å; F550-W612 AromaticContact CD2-CD1 3.56Å; F550-W612 AromaticContact CD2-CD2 3.89Å; F550-W612 HydrophobicContact CD2-CD2 3.89Å; F550-W612 AromaticContact CD2-CE2 3.67Å; F550-W612 AromaticContact CD2-CG 3.83Å; F550-W612 HydrophobicContact CD2-CG 3.83Å; F550-W612 HydrophobicContact CD2-CZ2 4.31Å; F550-W612 AromaticContact CD2-NE1 3.45Å; F550-W612 AromaticContact CE2-CD1 3.93Å; F550-W612 AromaticContact CE2-NE1 3.84Å; F550-W612 HydrophobicContact CG-CD2 4.23Å; F550-W612 AromaticContact CG-CE2 3.87Å; F550-W612 HydrophobicContact CG-CZ2 4.06Å; F550-A657 VanDerWaalsContact O-CA 3.3Å; F550-A657 WeakPolarHBondContact O-CA 3.23Å; F550-A657 WeakPolarHBondContact O-CB 3.2Å; F550-Q658 HydrophobicContact CB-CB 4.09Å; F550-Q658 PolarHBondContact N-O 3.05Å; F550-Q658 PolarHBondContact O-N 2.71Å
551	M	97.2	Very high	96	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.6	179	-67.9	172	-73.5	0	0	110.5	V559 V582 A584 F610	M551-V559 HydrophobicContact CG-CB 4.39Å; M551-V559 HydrophobicContact CG-CG1 3.81Å; M551-V559 HydrophobicContact CG-CG2 3.78Å; M551-V559 HydrophobicContact SD-CG2 4.1Å; M551-V582 HydrophobicContact CE-CG2 4.46Å; M551-A584 HydrophobicContact SD-CB 4.29Å; M551-A584 PolarHBondContact SD-N 2.95Å; M551-A584 VanDerWaalsContact SD-N 3.44Å; M551-F610 PolarHBondContact O-N 3.13Å
552	E	95.9	Very high	96.1	Very high	39 Å²	39	28.4 Å²	28.4	18%	0.182	15%	0.151	C	C	.	.			trans	-96	-17.5	179.5	-57	-168.9	-151.9	0	0	113.3	R514 F550 F610 L656 Q658	R514-E552 IonicContact CZ-OE1 2.74Å; R514-E552 IonicContact CZ-OE2 3.95Å; R514-E552 IonicContact NE-OE1 3.16Å; R514-E552 PolarHBondContact NE-OE1 3.07Å; R514-E552 IonicContact NE-OE2 3.66Å; R514-E552 VanDerWaalsContact NH2-CD 3.28Å; R514-E552 IonicContact NH2-OE1 3.83Å; R514-E552 PolarHBondContact NH2-OE1 3.13Å; R514-E552 VanDerWaalsContact NH2-OE1 3.17Å; R514-E552 IonicContact NH2-OE2 3.45Å; R514-E552 PolarHBondContact NH2-OE2 2.86Å; F550-E552 HydrophobicContact CD1-CG 3.81Å; F550-E552 HydrophobicContact CE1-CG 3.8Å; E552-F610 HydrophobicContact CB-CE1 4.29Å; E552-F610 WeakPolarHBondContact O-CZ 3.29Å; E552-L656 HydrophobicContact CB-CB 4.14Å; E552-L656 WeakPolarHBondContact CB-O 3.21Å; E552-L656 HydrophobicContact CG-CB 4.35Å; E552-L656 PolarHBondContact N-O 3.03Å; E552-Q658 PolarHBondContact OE1-NE2 2.83Å
553	N	92.7	Very high	96.1	Very high	47 Å²	47	26.8 Å²	26.8	25%	0.251	14%	0.142	S	C	.	.			trans	-90.7	115	178.8	-175.8	-14.6	0	0	0	111.2	Q555 S556 G557 E655	N553-Q555 VanDerWaalsContact C-N 3.35Å; N553-Q555 PolarHBondContact O-N 3.39Å; N553-Q555 PolarHBondContact OD1-N 3.45Å; N553-S556 PolarHBondContact ND2-OG 3.47Å; N553-S556 PolarHBondContact OD1-N 3.18Å; N553-G557 VanDerWaalsContact O-CA 3.31Å; N553-G557 WeakPolarHBondContact O-CA 3.43Å; N553-G557 PolarHBondContact O-N 3.22Å; N553-E655 WeakPolarHBondContact CB-OE2 3.21Å; N553-E655 PolarHBondContact ND2-OE2 2.89Å
554	V	88.9	Confident	96.1	Very high	83 Å²	83	26.8 Å²	26.8	50%	0.503	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21	-177.7	-59.5	0	0	0	0	114.9	P609 F610	V554-P609 HydrophobicContact CB-CB 4.37Å; V554-P609 HydrophobicContact CB-CG 4.1Å; V554-P609 HydrophobicContact CG1-CB 4Å; V554-P609 HydrophobicContact CG1-CG 3.92Å; V554-F610 HydrophobicContact CG1-CD2 3.86Å; V554-F610 HydrophobicContact CG1-CE2 3.32Å; V554-F610 HydrophobicContact CG1-CZ 4.33Å
555	Q	81.9	Confident	96.1	Very high	179 Å²	179	23.5 Å²	23.5	84%	0.836	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-47.2	-172.3	-61.9	-172.1	1.4	0	0	112	N553	N553-Q555 VanDerWaalsContact C-N 3.35Å; N553-Q555 PolarHBondContact O-N 3.39Å; N553-Q555 PolarHBondContact OD1-N 3.45Å
556	S	87.8	Confident	96.1	Very high	60 Å²	60	24.8 Å²	24.8	42%	0.42	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	12	-172.1	64.7	0	0	0	0	113.6	N553 G558	N553-S556 PolarHBondContact ND2-OG 3.47Å; N553-S556 PolarHBondContact OD1-N 3.18Å; S556-G558 PolarHBondContact O-N 3.14Å
557	G	92.7	Very high	96.1	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.021	14%	0.144	C	C	.	.			trans	-55.6	130	-177	0	0	0	0	0	112	N553 F583 A584 E655	N553-G557 VanDerWaalsContact O-CA 3.31Å; N553-G557 WeakPolarHBondContact O-CA 3.43Å; N553-G557 PolarHBondContact O-N 3.22Å; G557-F583 CarbonylContact O-C 3.57Å; G557-F583 WeakPolarHBondContact O-CA 3.42Å; G557-A584 PolarHBondContact O-N 2.95Å; G557-E655 WeakPolarHBondContact CA-OE2 3.23Å
558	G	98.1	Very high	96	Very high	1 Å²	1	28 Å²	28	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.1	170.9	0	0	0	0	0	111.4	S556 V582 T651 H652 E655	S556-G558 PolarHBondContact O-N 3.14Å; G558-V582 WeakPolarHBondContact CA-O 3.35Å; G558-T651 CarbonylContact O-C 3.52Å; G558-T651 WeakPolarHBondContact O-CA 3.26Å; G558-H652 PolarHBondContact O-N 2.98Å; G558-E655 PolarHBondContact N-OE1 3.23Å
559	V	98.8	Very high	96	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.7	180	-69.4	0	0	0	0	109.8	V549 M551 W581 V582 G650 T651 A657 F659	V549-V559 HydrophobicContact CB-CB 4.42Å; V549-V559 HydrophobicContact CB-CG2 3.79Å; V549-V559 HydrophobicContact CG1-CG2 4.36Å; V549-V559 HydrophobicContact CG2-CG2 3.61Å; M551-V559 HydrophobicContact CG-CB 4.39Å; M551-V559 HydrophobicContact CG-CG1 3.81Å; M551-V559 HydrophobicContact CG-CG2 3.78Å; M551-V559 HydrophobicContact SD-CG2 4.1Å; V559-W581 WeakPolarHBondContact O-CA 3.37Å; V559-V582 HydrophobicContact CG2-CG2 3.64Å; V559-V582 PolarHBondContact N-O 3.44Å; V559-V582 PolarHBondContact O-N 3.4Å; V559-G650 CarbonylContact C-O 3.45Å; V559-G650 WeakPolarHBondContact CA-O 3.3Å; V559-T651 HydrophobicContact CG1-CG2 4.36Å; V559-A657 HydrophobicContact CG1-CB 3.58Å; V559-F659 HydrophobicContact CB-CE1 4.45Å; V559-F659 HydrophobicContact CG1-CZ 4.27Å
560	F	98.9	Very high	95.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.6	176.5	69.6	-89.7	0	0	0	113.8	T531 V532 A562 F579 F580 W581 L594 I649 G650	T531-F560 WeakPolarHBondContact O-CE1 3.37Å; V532-F560 HydrophobicContact CB-CZ 3.96Å; V532-F560 HydrophobicContact CG2-CE2 4.34Å; V532-F560 HydrophobicContact CG2-CZ 3.95Å; F560-A562 HydrophobicContact CD2-CB 3.86Å; F560-A562 HydrophobicContact CE2-CB 3.94Å; F560-F579 AromaticContact CD2-CD1 3.84Å; F560-F579 HydrophobicContact CD2-CD1 3.84Å; F560-F579 AromaticContact CE2-CD1 3.68Å; F560-F579 HydrophobicContact CE2-CD1 3.68Å; F560-F579 HydrophobicContact CE2-CE1 4.07Å; F560-F579 HydrophobicContact CZ-CD1 4.28Å; F560-F580 WeakPolarHBondContact CA-O 3.49Å; F560-F580 VanDerWaalsContact CB-O 3.26Å; F560-F580 WeakPolarHBondContact CB-O 3.49Å; F560-W581 HydrophobicContact CB-CD2 3.87Å; F560-W581 HydrophobicContact CB-CE3 3.82Å; F560-W581 HydrophobicContact CB-CG 4.23Å; F560-W581 HydrophobicContact CB-CZ3 4.23Å; F560-W581 HydrophobicContact CD1-CD2 4.26Å; F560-W581 AromaticContact CD1-CE3 3.58Å; F560-W581 HydrophobicContact CD1-CE3 3.58Å; F560-W581 AromaticContact CD1-CH2 3.37Å; F560-W581 HydrophobicContact CD1-CH2 3.37Å; F560-W581 HydrophobicContact CD1-CZ2 4.12Å; F560-W581 AromaticContact CD1-CZ3 3.09Å; F560-W581 HydrophobicContact CD1-CZ3 3.09Å; F560-W581 HydrophobicContact CE1-CE3 4.48Å; F560-W581 AromaticContact CE1-CH2 3.51Å; F560-W581 HydrophobicContact CE1-CH2 3.51Å; F560-W581 HydrophobicContact CE1-CZ2 4.41Å; F560-W581 AromaticContact CE1-CZ3 3.59Å; F560-W581 HydrophobicContact CE1-CZ3 3.59Å; F560-W581 HydrophobicContact CG-CD2 4.29Å; F560-W581 HydrophobicContact CG-CE3 4.02Å; F560-W581 HydrophobicContact CG-CH2 4.03Å; F560-W581 HydrophobicContact CG-CZ2 4.35Å; F560-W581 AromaticContact CG-CZ3 3.9Å; F560-W581 HydrophobicContact CG-CZ3 3.9Å; F560-W581 HydrophobicContact CZ-CH2 4.33Å; F560-L594 HydrophobicContact CE1-CD1 4.11Å; F560-L594 HydrophobicContact CZ-CD1 3.76Å; F560-I649 WeakPolarHBondContact O-CA 3.29Å; F560-G650 VanDerWaalsContact CD1-C 3.44Å; F560-G650 WeakPolarHBondContact CD1-O 3.25Å; F560-G650 VanDerWaalsContact CE1-CA 3.41Å; F560-G650 PolarHBondContact N-O 2.84Å; F560-G650 PolarHBondContact O-N 2.93Å
561	V	98.9	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.5	156.2	-62.2	0	0	0	0	108.4	V545 C547 F580 L615 L617 A648 I649	V545-V561 HydrophobicContact CG1-CB 4.24Å; C547-V561 HydrophobicContact CB-CG1 3.67Å; V561-F580 HydrophobicContact CG2-CB 4.18Å; V561-F580 HydrophobicContact CG2-CD1 4.22Å; V561-F580 PolarHBondContact N-O 2.81Å; V561-F580 PolarHBondContact O-N 3.29Å; V561-L615 HydrophobicContact CG1-CB 4.1Å; V561-L615 HydrophobicContact CG1-CD1 4.36Å; V561-L615 HydrophobicContact CG2-CB 4Å; V561-L615 HydrophobicContact CG2-CD1 4.41Å; V561-L617 HydrophobicContact CG2-CB 3.79Å; V561-A648 CarbonylContact C-O 3.5Å; V561-I649 HydrophobicContact CG1-CG2 4.16Å
562	A	98.9	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.4	-178.3	0	0	0	0	0	113.3	F560 V565 V578 F579 A647 A648	F560-A562 HydrophobicContact CD2-CB 3.86Å; F560-A562 HydrophobicContact CE2-CB 3.94Å; A562-V565 HydrophobicContact CB-CG2 3.87Å; A562-V578 CarbonylContact C-O 3.53Å; A562-V578 WeakPolarHBondContact CA-O 3.14Å; A562-V578 WeakPolarHBondContact CB-O 3.25Å; A562-F579 HydrophobicContact CB-CB 4.4Å; A562-F579 HydrophobicContact CB-CD1 3.45Å; A562-F579 VanDerWaalsContact CB-CD1 3.45Å; A562-F579 HydrophobicContact CB-CE1 3.81Å; A562-F579 HydrophobicContact CB-CG 4Å; A562-A647 WeakPolarHBondContact O-CA 3.12Å; A562-A648 HydrophobicContact CB-CB 4.23Å; A562-A648 PolarHBondContact N-O 3.34Å; A562-A648 PolarHBondContact O-N 2.89Å
563	A	98.8	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.3	178.5	0	0	0	0	0	110.2	M543 V545 V565 V578 L617 V619 W646	M543-A563 HydrophobicContact CE-CB 4.5Å; M543-A563 HydrophobicContact CG-CB 3.67Å; M543-A563 HydrophobicContact SD-CB 3.55Å; M543-A563 VanDerWaalsContact SD-CB 3.55Å; V545-A563 HydrophobicContact CG2-CB 4.35Å; A563-V565 VanDerWaalsContact C-N 3.3Å; A563-V565 PolarHBondContact O-N 3.46Å; A563-V578 PolarHBondContact N-O 2.95Å; A563-V578 PolarHBondContact O-N 3.39Å; A563-L617 HydrophobicContact CB-CD2 3.78Å; A563-L617 HydrophobicContact CB-CG 4.36Å; A563-V619 HydrophobicContact CB-CB 4.5Å; A563-V619 HydrophobicContact CB-CG2 3.72Å; A563-W646 CarbonylContact C-O 3.19Å
564	R	98.7	Very high	96.3	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.9	36.9	-178.1	-54.8	-177.3	176.5	172.1	-0.2	113.5	Q541 M543 D566 G577 V619 G621 V639 P642 K643 W646	Q541-R564 PolarHBondContact O-NE 3.36Å; Q541-R564 PolarHBondContact O-NH2 3.42Å; M543-R564 HydrophobicContact CE-CG 4.17Å; R564-D566 PolarHBondContact O-N 2.78Å; R564-D566 VanDerWaalsContact O-N 3.15Å; R564-G577 WeakPolarHBondContact O-CA 3.47Å; R564-V619 VanDerWaalsContact CZ-CG1 3.4Å; R564-G621 PolarHBondContact NH1-O 3.44Å; R564-G621 VanDerWaalsContact NH1-O 3.08Å; R564-G621 PolarHBondContact NH2-O 3.22Å; R564-V639 PolarHBondContact NH1-O 3.45Å; R564-P642 HydrophobicContact CB-CG 4.14Å; R564-P642 VanDerWaalsContact CD-O 3.26Å; R564-P642 WeakPolarHBondContact CD-O 3.32Å; R564-P642 WeakPolarHBondContact O-CG 3.44Å; R564-K643 PolarHBondContact NE-O 3.04Å; R564-W646 PolarHBondContact N-O 3.29Å
565	V	98.9	Very high	96.8	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	114.5	176.2	-177.1	0	0	0	0	108.9	V534 A562 A563 A575 K576 F579 G645 W646 A648	V534-V565 HydrophobicContact CG1-CG1 4.07Å; A562-V565 HydrophobicContact CB-CG2 3.87Å; A563-V565 VanDerWaalsContact C-N 3.3Å; A563-V565 PolarHBondContact O-N 3.46Å; V565-A575 HydrophobicContact CG1-CB 4.12Å; V565-K576 CarbonylContact C-O 3.31Å; V565-K576 VanDerWaalsContact CA-O 3.29Å; V565-K576 WeakPolarHBondContact CA-O 3.35Å; V565-F579 HydrophobicContact CG2-CE1 4.1Å; V565-F579 HydrophobicContact CG2-CZ 4.1Å; V565-G645 CarbonylContact O-C 3.58Å; V565-G645 WeakPolarHBondContact O-CA 3.49Å; V565-W646 PolarHBondContact N-O 2.66Å; V565-W646 PolarHBondContact O-N 3.19Å; V565-A648 HydrophobicContact CG2-CB 3.76Å
566	D	98.6	Very high	97.6	Very high	27 Å²	27	26.4 Å²	26.4	14%	0.144	14%	0.138	C	C	.	.			trans	-94.7	-9.4	-165.8	75.3	-14.8	0	0	0	115.1	Y538 R564 K576 P642	Y538-D566 WeakPolarHBondContact CE2-O 3.47Å; Y538-D566 PolarHBondContact OH-O 2.87Å; R564-D566 PolarHBondContact O-N 2.78Å; R564-D566 VanDerWaalsContact O-N 3.15Å; D566-K576 PolarHBondContact N-O 2.57Å; D566-K576 PolarHBondContact OD1-N 2.8Å; D566-P642 HydrophobicContact CB-CB 3.63Å; D566-P642 HydrophobicContact CB-CG 3.9Å
567	K	98.5	Very high	98.1	Very high	84 Å²	84	23.5 Å²	23.5	37%	0.365	12%	0.118	S	C	.	.			trans	-145.2	148.8	179.9	-64.7	178	-179.6	-175.7	0	111.2	S574 A575	K567-S574 VanDerWaalsContact CD-OG 3.25Å; K567-S574 WeakPolarHBondContact CD-OG 3.33Å; K567-S574 PolarHBondContact NZ-OG 2.86Å; K567-A575 HydrophobicContact CB-CB 4.25Å; K567-A575 WeakPolarHBondContact O-CB 3.26Å
568	G	98.4	Very high	98.4	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.031	12%	0.117	C	C	.	.			trans	-139.3	-153.9	168.2	0	0	0	0	0	110.4	S571 V572	G568-S571 CarbonylContact O-C 3.47Å; G568-S571 WeakPolarHBondContact O-CA 3.41Å; G568-S571 PolarHBondContact O-N 2.93Å; G568-S571 VanDerWaalsContact O-N 3.1Å; G568-V572 PolarHBondContact O-N 2.83Å
569	G	98.4	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	56.1	-144.2	178.8	0	0	0	0	0	112.6	Q92 T94 S571 V572	Q92-G569 WeakPolarHBondContact CG-O 3.37Å; Q92-G569 PolarHBondContact NE2-O 3.32Å; T94-G569 CarbonylContact O-C 3.53Å; T94-G569 VanDerWaalsContact O-C 3.26Å; T94-G569 WeakPolarHBondContact O-CA 3.41Å; G569-S571 PolarHBondContact O-N 3.04Å; G569-V572 VanDerWaalsContact O-CB 3.29Å; G569-V572 WeakPolarHBondContact O-CB 3.37Å; G569-V572 VanDerWaalsContact O-CG1 3.3Å; G569-V572 WeakPolarHBondContact O-CG1 3.48Å; G569-V572 PolarHBondContact O-N 2.73Å
570	Q	95.8	Very high	98.4	Very high	72 Å²	72	23.4 Å²	23.4	34%	0.336	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-55.4	-17.9	174.3	-57.5	-177.5	-31.9	0	0	114.1	T94 W524 A525	T94-Q570 HydrophobicContact CG2-CG 4.17Å; T94-Q570 PolarHBondContact O-N 2.81Å; T94-Q570 PolarHBondContact OG1-NE2 2.81Å; W524-Q570 HydrophobicContact CZ3-CG 4.32Å; A525-Q570 HydrophobicContact CB-CG 4.33Å
571	S	97.3	Very high	98.4	Very high	56 Å²	56	23.7 Å²	23.7	39%	0.392	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-99	3.9	-179.5	-67	0	0	0	0	114.2	G568 G569 R573 S574	G568-S571 CarbonylContact O-C 3.47Å; G568-S571 WeakPolarHBondContact O-CA 3.41Å; G568-S571 PolarHBondContact O-N 2.93Å; G568-S571 VanDerWaalsContact O-N 3.1Å; G569-S571 PolarHBondContact O-N 3.04Å; S571-R573 VanDerWaalsContact C-N 3.26Å; S571-R573 PolarHBondContact O-N 3.16Å; S571-R573 VanDerWaalsContact O-N 3.16Å; S571-S574 PolarHBondContact O-N 2.81Å; S571-S574 PolarHBondContact O-OG 2.91Å
572	V	98.5	Very high	98.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-52	-38.5	-174.3	64.8	0	0	0	0	113.7	Q493 T494 A528 V532 G568 G569 S574 A575 L594	Q493-V572 HydrophobicContact CB-CB 4.21Å; Q493-V572 HydrophobicContact CB-CG2 3.6Å; T494-V572 WeakPolarHBondContact OG1-CG1 3.45Å; A528-V572 HydrophobicContact CB-CG1 4.33Å; A528-V572 HydrophobicContact CB-CG2 4.41Å; V532-V572 HydrophobicContact CG1-CG2 3.59Å; G568-V572 PolarHBondContact O-N 2.83Å; G569-V572 VanDerWaalsContact O-CB 3.29Å; G569-V572 WeakPolarHBondContact O-CB 3.37Å; G569-V572 VanDerWaalsContact O-CG1 3.3Å; G569-V572 WeakPolarHBondContact O-CG1 3.48Å; G569-V572 PolarHBondContact O-N 2.73Å; V572-S574 PolarHBondContact O-N 3.38Å; V572-A575 WeakPolarHBondContact O-CB 3.36Å; V572-A575 PolarHBondContact O-N 2.89Å; V572-L594 HydrophobicContact CG2-CD2 4.08Å
573	R	98	Very high	98.4	Very high	87 Å²	87	24.8 Å²	24.8	33%	0.328	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-57.8	-25.1	178	179.7	177.3	-74.6	-98.7	7.8	113.4	D527 D529 S571	D527-R573 PolarHBondContact O-NE 3.07Å; D527-R573 PolarHBondContact O-NH2 3.1Å; D529-R573 VanDerWaalsContact CG-NH1 3.27Å; D529-R573 IonicContact OD1-CZ 3.72Å; D529-R573 IonicContact OD1-NH1 2.77Å; D529-R573 PolarHBondContact OD1-NH1 3.03Å; D529-R573 IonicContact OD1-NH2 3.67Å; D529-R573 PolarHBondContact OD1-NH2 3.33Å; D529-R573 IonicContact OD2-CZ 3.78Å; D529-R573 IonicContact OD2-NH1 3.03Å; D529-R573 PolarHBondContact OD2-NH1 3.41Å; D529-R573 IonicContact OD2-NH2 3.94Å; S571-R573 VanDerWaalsContact C-N 3.26Å; S571-R573 PolarHBondContact O-N 3.16Å; S571-R573 VanDerWaalsContact O-N 3.16Å
574	S	97.5	Very high	98.3	Very high	52 Å²	52	25.4 Å²	25.4	36%	0.364	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-98.9	9.3	179.5	73.3	0	0	0	0	114	K567 S571 V572 K576	K567-S574 VanDerWaalsContact CD-OG 3.25Å; K567-S574 WeakPolarHBondContact CD-OG 3.33Å; K567-S574 PolarHBondContact NZ-OG 2.86Å; S571-S574 PolarHBondContact O-N 2.81Å; S571-S574 PolarHBondContact O-OG 2.91Å; V572-S574 PolarHBondContact O-N 3.38Å; S574-K576 PolarHBondContact O-N 3.01Å
575	A	98.6	Very high	98.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	16%	0.156	C	C	.	.			trans	-61.2	131	-178.2	0	0	0	0	0	111.7	V565 K567 V572 D593 L594	V565-A575 HydrophobicContact CG1-CB 4.12Å; K567-A575 HydrophobicContact CB-CB 4.25Å; K567-A575 WeakPolarHBondContact O-CB 3.26Å; V572-A575 WeakPolarHBondContact O-CB 3.36Å; V572-A575 PolarHBondContact O-N 2.89Å; A575-D593 WeakPolarHBondContact O-CA 3.45Å; A575-L594 HydrophobicContact CB-CB 4.26Å; A575-L594 HydrophobicContact CB-CD2 4.45Å; A575-L594 PolarHBondContact O-N 2.63Å
576	K	98.7	Very high	98.1	Very high	97 Å²	97	30.8 Å²	30.8	42%	0.422	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	163.7	172	-57.8	-176.9	179.4	-178.6	0	109.5	V565 D566 S574 N592 P642	V565-K576 CarbonylContact C-O 3.31Å; V565-K576 VanDerWaalsContact CA-O 3.29Å; V565-K576 WeakPolarHBondContact CA-O 3.35Å; D566-K576 PolarHBondContact N-O 2.57Å; D566-K576 PolarHBondContact OD1-N 2.8Å; S574-K576 PolarHBondContact O-N 3.01Å; K576-N592 WeakPolarHBondContact CA-O 3.42Å; K576-N592 WeakPolarHBondContact CB-O 3.2Å; K576-P642 HydrophobicContact CB-CG 4.13Å
577	G	98.5	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-167.3	-173.4	0	0	0	0	0	109.5	R564 N592	R564-G577 WeakPolarHBondContact O-CA 3.47Å; G577-N592 PolarHBondContact N-O 2.93Å; G577-N592 CarbonylContact O-C 3.54Å; G577-N592 WeakPolarHBondContact O-CA 3.32Å; G577-N592 PolarHBondContact O-OD1 3.1Å
578	V	98.8	Very high	98.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.3	167	-173.6	0	0	0	0	107.4	A562 A563 V590 L617 V619 A624 W634 V639	A562-V578 CarbonylContact C-O 3.53Å; A562-V578 WeakPolarHBondContact CA-O 3.14Å; A562-V578 WeakPolarHBondContact CB-O 3.25Å; A563-V578 PolarHBondContact N-O 2.95Å; A563-V578 PolarHBondContact O-N 3.39Å; V578-V590 HydrophobicContact CG1-CG1 4.02Å; V578-L617 HydrophobicContact CB-CD2 4.41Å; V578-L617 HydrophobicContact CG1-CD1 3.9Å; V578-L617 HydrophobicContact CG1-CD2 4.35Å; V578-L617 WeakPolarHBondContact O-CD2 3.34Å; V578-V619 HydrophobicContact CB-CG2 4.1Å; V578-V619 HydrophobicContact CG1-CG2 4.42Å; V578-V619 HydrophobicContact CG2-CG1 4.41Å; V578-V619 HydrophobicContact CG2-CG2 4.01Å; V578-A624 HydrophobicContact CG1-CB 4.11Å; V578-W634 HydrophobicContact CG1-CH2 4.43Å; V578-V639 HydrophobicContact CG2-CG1 3.31Å; V578-V639 HydrophobicContact CG2-CG2 4.5Å
579	F	98.9	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.2	-179.2	-58.5	-99.3	0	0	0	108.9	F560 A562 V565 W581 V590 T591 D593 L594	F560-F579 AromaticContact CD2-CD1 3.84Å; F560-F579 HydrophobicContact CD2-CD1 3.84Å; F560-F579 AromaticContact CE2-CD1 3.68Å; F560-F579 HydrophobicContact CE2-CD1 3.68Å; F560-F579 HydrophobicContact CE2-CE1 4.07Å; F560-F579 HydrophobicContact CZ-CD1 4.28Å; A562-F579 HydrophobicContact CB-CB 4.4Å; A562-F579 HydrophobicContact CB-CD1 3.45Å; A562-F579 VanDerWaalsContact CB-CD1 3.45Å; A562-F579 HydrophobicContact CB-CE1 3.81Å; A562-F579 HydrophobicContact CB-CG 4Å; V565-F579 HydrophobicContact CG2-CE1 4.1Å; V565-F579 HydrophobicContact CG2-CZ 4.1Å; F579-W581 HydrophobicContact CB-CZ2 3.88Å; F579-W581 HydrophobicContact CD1-CZ2 4.15Å; F579-W581 HydrophobicContact CG-CZ2 4.17Å; F579-V590 CarbonylContact O-C 3.59Å; F579-V590 VanDerWaalsContact O-CA 3.25Å; F579-V590 WeakPolarHBondContact O-CA 3.17Å; F579-T591 PolarHBondContact N-O 3.04Å; F579-T591 PolarHBondContact O-N 3.22Å; F579-D593 VanDerWaalsContact CE2-C 3.45Å; F579-L594 HydrophobicContact CD1-CD1 4.1Å; F579-L594 HydrophobicContact CE1-CB 3.99Å; F579-L594 HydrophobicContact CE1-CD1 3.69Å; F579-L594 HydrophobicContact CE1-CG 4.43Å; F579-L594 HydrophobicContact CE2-CB 4.39Å; F579-L594 HydrophobicContact CZ-CB 3.81Å; F579-L594 HydrophobicContact CZ-CD1 4.39Å
580	F	98.8	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	102.6	176.2	177.9	-160.4	0	0	0	109.7	F560 V561 V582 Y588 V590 L615 L617 L633 W634	F560-F580 WeakPolarHBondContact CA-O 3.49Å; F560-F580 VanDerWaalsContact CB-O 3.26Å; F560-F580 WeakPolarHBondContact CB-O 3.49Å; V561-F580 HydrophobicContact CG2-CB 4.18Å; V561-F580 HydrophobicContact CG2-CD1 4.22Å; V561-F580 PolarHBondContact N-O 2.81Å; V561-F580 PolarHBondContact O-N 3.29Å; F580-V582 HydrophobicContact CE2-CG1 3.87Å; F580-V582 HydrophobicContact CZ-CG1 4.12Å; F580-Y588 HydrophobicContact CE2-CD2 4.34Å; F580-Y588 HydrophobicContact CE2-CG 4.46Å; F580-V590 HydrophobicContact CD2-CG2 4.47Å; F580-L615 HydrophobicContact CE1-CB 4.43Å; F580-L615 HydrophobicContact CE1-CD2 4.05Å; F580-L615 HydrophobicContact CZ-CD2 4.13Å; F580-L617 HydrophobicContact CB-CD1 4.49Å; F580-L617 HydrophobicContact CB-CD2 4.5Å; F580-L633 HydrophobicContact CE2-CD2 4.01Å; F580-L633 HydrophobicContact CZ-CD2 3.83Å; F580-W634 HydrophobicContact CB-CZ2 3.9Å; F580-W634 HydrophobicContact CD1-CZ2 4.02Å; F580-W634 AromaticContact CD1-NE1 3.98Å; F580-W634 AromaticContact CD2-CE2 3.96Å; F580-W634 HydrophobicContact CD2-CZ2 4.04Å; F580-W634 AromaticContact CD2-NE1 3.28Å; F580-W634 VanDerWaalsContact CD2-NE1 3.28Å; F580-W634 AromaticContact CE1-NE1 3.85Å; F580-W634 AromaticContact CE2-CD1 3.93Å; F580-W634 AromaticContact CE2-NE1 3.15Å; F580-W634 AromaticContact CG-CZ2 3.7Å; F580-W634 HydrophobicContact CG-CZ2 3.7Å; F580-W634 AromaticContact CG-NE1 3.73Å; F580-W634 AromaticContact CZ-NE1 3.46Å
581	W	98.8	Very high	98.2	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.2	-178.3	-48.9	81.4	0	0	0	111.2	Q530 V559 F560 F579 F583 Y588 K589 T591 L594 H652	Q530-W581 HydrophobicContact CB-CH2 4.3Å; Q530-W581 HydrophobicContact CG-CH2 3.71Å; Q530-W581 HydrophobicContact CG-CZ3 4.08Å; V559-W581 WeakPolarHBondContact O-CA 3.37Å; F560-W581 HydrophobicContact CB-CD2 3.87Å; F560-W581 HydrophobicContact CB-CE3 3.82Å; F560-W581 HydrophobicContact CB-CG 4.23Å; F560-W581 HydrophobicContact CB-CZ3 4.23Å; F560-W581 HydrophobicContact CD1-CD2 4.26Å; F560-W581 AromaticContact CD1-CE3 3.58Å; F560-W581 HydrophobicContact CD1-CE3 3.58Å; F560-W581 AromaticContact CD1-CH2 3.37Å; F560-W581 HydrophobicContact CD1-CH2 3.37Å; F560-W581 HydrophobicContact CD1-CZ2 4.12Å; F560-W581 AromaticContact CD1-CZ3 3.09Å; F560-W581 HydrophobicContact CD1-CZ3 3.09Å; F560-W581 HydrophobicContact CE1-CE3 4.48Å; F560-W581 AromaticContact CE1-CH2 3.51Å; F560-W581 HydrophobicContact CE1-CH2 3.51Å; F560-W581 HydrophobicContact CE1-CZ2 4.41Å; F560-W581 AromaticContact CE1-CZ3 3.59Å; F560-W581 HydrophobicContact CE1-CZ3 3.59Å; F560-W581 HydrophobicContact CG-CD2 4.29Å; F560-W581 HydrophobicContact CG-CE3 4.02Å; F560-W581 HydrophobicContact CG-CH2 4.03Å; F560-W581 HydrophobicContact CG-CZ2 4.35Å; F560-W581 AromaticContact CG-CZ3 3.9Å; F560-W581 HydrophobicContact CG-CZ3 3.9Å; F560-W581 HydrophobicContact CZ-CH2 4.33Å; F579-W581 HydrophobicContact CB-CZ2 3.88Å; F579-W581 HydrophobicContact CD1-CZ2 4.15Å; F579-W581 HydrophobicContact CG-CZ2 4.17Å; W581-F583 HydrophobicContact CB-CE2 3.66Å; W581-F583 HydrophobicContact CB-CZ 3.72Å; W581-F583 HydrophobicContact CG-CZ 4.29Å; W581-Y588 WeakPolarHBondContact O-CA 3.21Å; W581-Y588 VanDerWaalsContact O-CB 3.24Å; W581-Y588 WeakPolarHBondContact O-CB 3.46Å; W581-K589 HydrophobicContact CB-CB 4.21Å; W581-K589 HydrophobicContact CG-CB 4.41Å; W581-K589 PolarHBondContact N-O 2.71Å; W581-K589 PolarHBondContact O-N 2.73Å; W581-T591 PolarHBondContact NE1-OG1 3.32Å; W581-L594 HydrophobicContact CH2-CD1 4.03Å; W581-L594 HydrophobicContact CZ2-CD1 4.38Å; W581-L594 WeakPolarHBondContact CZ2-O 3.2Å; W581-H652 HydrophobicContact CZ3-CB 4.46Å
582	V	98.7	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.3	161.8	-61.9	0	0	0	0	109.6	V549 M551 G558 V559 F580 T607 L615	V549-V582 HydrophobicContact CG2-CG2 4.4Å; M551-V582 HydrophobicContact CE-CG2 4.46Å; G558-V582 WeakPolarHBondContact CA-O 3.35Å; V559-V582 HydrophobicContact CG2-CG2 3.64Å; V559-V582 PolarHBondContact N-O 3.44Å; V559-V582 PolarHBondContact O-N 3.4Å; F580-V582 HydrophobicContact CE2-CG1 3.87Å; F580-V582 HydrophobicContact CZ-CG1 4.12Å; V582-T607 HydrophobicContact CB-CG2 3.99Å; V582-T607 HydrophobicContact CG1-CG2 4.25Å; V582-T607 HydrophobicContact CG2-CG2 4.25Å; V582-L615 HydrophobicContact CG1-CD1 4.38Å; V582-L615 HydrophobicContact CG1-CD2 3.73Å; V582-L615 HydrophobicContact CG2-CD1 3.95Å; V582-L615 HydrophobicContact CG2-CD2 4.17Å
583	F	98.4	Very high	98.2	Very high	23 Å²	23	27.2 Å²	27.2	10%	0.101	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156.6	-173	-60.9	-83.2	0	0	0	111.9	G557 W581 D585 G586 S587 K589 T607 H652	G557-F583 CarbonylContact O-C 3.57Å; G557-F583 WeakPolarHBondContact O-CA 3.42Å; W581-F583 HydrophobicContact CB-CE2 3.66Å; W581-F583 HydrophobicContact CB-CZ 3.72Å; W581-F583 HydrophobicContact CG-CZ 4.29Å; F583-D585 VanDerWaalsContact CB-OD1 3.28Å; F583-D585 WeakPolarHBondContact CB-OD1 3.16Å; F583-D585 PolarHBondContact O-N 3.25Å; F583-G586 PolarHBondContact O-N 3.22Å; F583-G586 VanDerWaalsContact O-N 3.14Å; F583-S587 WeakPolarHBondContact CD2-OG 3.39Å; F583-S587 PolarHBondContact N-O 3.14Å; F583-K589 HydrophobicContact CE2-CB 4.03Å; F583-K589 HydrophobicContact CE2-CD 4.07Å; F583-K589 HydrophobicContact CE2-CG 3.89Å; F583-K589 HydrophobicContact CZ-CD 4.34Å; F583-T607 PolarHBondContact O-OG1 2.81Å; F583-H652 HydrophobicContact CE1-CB 4.24Å; F583-H652 AromaticContact CE1-CD2 3.86Å; F583-H652 AromaticContact CE1-CG 3.93Å
584	A	96.8	Very high	98.3	Very high	12 Å²	12	23.1 Å²	23.1	10%	0.099	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.1	178.9	0	0	0	0	0	113.1	M551 G557 G586 P609	M551-A584 HydrophobicContact SD-CB 4.29Å; M551-A584 PolarHBondContact SD-N 2.95Å; M551-A584 VanDerWaalsContact SD-N 3.44Å; G557-A584 PolarHBondContact O-N 2.95Å; A584-G586 PolarHBondContact O-N 2.8Å; A584-P609 HydrophobicContact CB-CB 4.07Å; A584-P609 HydrophobicContact CB-CG 4.26Å; A584-P609 WeakPolarHBondContact O-CD 3.33Å
585	D	96.4	Very high	98.3	Very high	117 Å²	117	22.3 Å²	22.3	63%	0.626	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	0.3	176.4	73.3	-8.2	0	0	0	113.9	F583 S587	F583-D585 VanDerWaalsContact CB-OD1 3.28Å; F583-D585 WeakPolarHBondContact CB-OD1 3.16Å; F583-D585 PolarHBondContact O-N 3.25Å; D585-S587 VanDerWaalsContact OD1-CB 3.25Å; D585-S587 WeakPolarHBondContact OD1-CB 3.26Å; D585-S587 PolarHBondContact OD1-N 2.88Å; D585-S587 PolarHBondContact OD1-OG 2.98Å; D585-S587 PolarHBondContact OD2-OG 2.98Å
586	G	97.3	Very high	98.2	Very high	6 Å²	6	23.7 Å²	23.7	6%	0.062	13%	0.131	C	C	.	.	S	Bend	trans	82.4	16.3	-179	0	0	0	0	0	114.3	F583 A584 Q604 S605 G606 T607	F583-G586 PolarHBondContact O-N 3.22Å; F583-G586 VanDerWaalsContact O-N 3.14Å; A584-G586 PolarHBondContact O-N 2.8Å; G586-Q604 CarbonylContact O-C 3.47Å; G586-Q604 WeakPolarHBondContact O-CA 3.22Å; G586-Q604 PolarHBondContact O-OE1 2.68Å; G586-S605 PolarHBondContact O-N 2.72Å; G586-S605 PolarHBondContact O-OG 2.94Å; G586-G606 PolarHBondContact O-N 2.97Å; G586-T607 WeakPolarHBondContact CA-O 3.49Å; G586-T607 PolarHBondContact N-O 2.89Å
587	S	98.1	Very high	98	Very high	17 Å²	17	26.9 Å²	26.9	12%	0.119	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	161.9	170.7	71.7	0	0	0	0	113.3	F583 D585 G603 S605	F583-S587 WeakPolarHBondContact CD2-OG 3.39Å; F583-S587 PolarHBondContact N-O 3.14Å; D585-S587 VanDerWaalsContact OD1-CB 3.25Å; D585-S587 WeakPolarHBondContact OD1-CB 3.26Å; D585-S587 PolarHBondContact OD1-N 2.88Å; D585-S587 PolarHBondContact OD1-OG 2.98Å; D585-S587 PolarHBondContact OD2-OG 2.98Å; S587-G603 CarbonylContact C-O 3.59Å; S587-G603 VanDerWaalsContact CA-O 3.29Å; S587-G603 WeakPolarHBondContact CA-O 3.24Å; S587-G603 WeakPolarHBondContact CB-O 3.37Å; S587-S605 VanDerWaalsContact C-OG 3.32Å; S587-S605 PolarHBondContact O-OG 2.84Å; S587-S605 VanDerWaalsContact O-OG 3.06Å
588	Y	98.7	Very high	97.9	Very high	26 Å²	26	29.9 Å²	29.9	10%	0.102	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.1	166.5	76.9	-89.5	0	0	0	111.6	F580 W581 V590 A601 E602 G603 L633 W634	F580-Y588 HydrophobicContact CE2-CD2 4.34Å; F580-Y588 HydrophobicContact CE2-CG 4.46Å; W581-Y588 WeakPolarHBondContact O-CA 3.21Å; W581-Y588 VanDerWaalsContact O-CB 3.24Å; W581-Y588 WeakPolarHBondContact O-CB 3.46Å; Y588-V590 HydrophobicContact CD2-CG2 4.19Å; Y588-V590 HydrophobicContact CE2-CG2 4.19Å; Y588-A601 HydrophobicContact CE2-CB 4.41Å; Y588-E602 VanDerWaalsContact O-CA 3.3Å; Y588-E602 WeakPolarHBondContact O-CA 3.39Å; Y588-G603 VanDerWaalsContact CD1-C 3.4Å; Y588-G603 VanDerWaalsContact CE1-C 3.45Å; Y588-G603 PolarHBondContact N-O 2.78Å; Y588-G603 PolarHBondContact O-N 2.93Å; Y588-G603 VanDerWaalsContact O-N 3.09Å; Y588-L633 HydrophobicContact CD1-CD1 4.11Å; Y588-L633 HydrophobicContact CD1-CD2 3.53Å; Y588-L633 HydrophobicContact CD1-CG 3.84Å; Y588-L633 HydrophobicContact CD2-CD2 4.32Å; Y588-L633 HydrophobicContact CE1-CD1 3.95Å; Y588-L633 HydrophobicContact CE1-CD2 4Å; Y588-L633 HydrophobicContact CE1-CG 3.75Å; Y588-L633 HydrophobicContact CG-CD2 3.71Å; Y588-L633 HydrophobicContact CG-CG 4.34Å; Y588-W634 AromaticContact CD2-CD1 3.69Å; Y588-W634 HydrophobicContact CD2-CG 4.48Å; Y588-W634 HydrophobicContact CE2-CB 3.97Å; Y588-W634 AromaticContact CE2-CD1 3.44Å; Y588-W634 VanDerWaalsContact CE2-CD1 3.44Å; Y588-W634 AromaticContact CE2-CG 3.85Å; Y588-W634 HydrophobicContact CE2-CG 3.85Å
589	K	98.4	Very high	97.9	Very high	79 Å²	79	33 Å²	33	34%	0.343	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.3	167.8	-69.7	-177.3	176.3	177.8	0	110.7	W581 F583 T591 A601 E602	W581-K589 HydrophobicContact CB-CB 4.21Å; W581-K589 HydrophobicContact CG-CB 4.41Å; W581-K589 PolarHBondContact N-O 2.71Å; W581-K589 PolarHBondContact O-N 2.73Å; F583-K589 HydrophobicContact CE2-CB 4.03Å; F583-K589 HydrophobicContact CE2-CD 4.07Å; F583-K589 HydrophobicContact CE2-CG 3.89Å; F583-K589 HydrophobicContact CZ-CD 4.34Å; K589-T591 HydrophobicContact CB-CG2 4.43Å; K589-A601 CarbonylContact C-O 3.59Å; K589-E602 HydrophobicContact CG-CB 3.96Å
590	V	98.8	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.2	169	-171.7	0	0	0	0	106.9	V578 F579 F580 Y588 L600 A601 W634	V578-V590 HydrophobicContact CG1-CG1 4.02Å; F579-V590 CarbonylContact O-C 3.59Å; F579-V590 VanDerWaalsContact O-CA 3.25Å; F579-V590 WeakPolarHBondContact O-CA 3.17Å; F580-V590 HydrophobicContact CD2-CG2 4.47Å; Y588-V590 HydrophobicContact CD2-CG2 4.19Å; Y588-V590 HydrophobicContact CE2-CG2 4.19Å; V590-L600 HydrophobicContact CB-CB 4.32Å; V590-L600 HydrophobicContact CG1-CB 4.18Å; V590-L600 HydrophobicContact CG1-CD1 4.23Å; V590-L600 PolarHBondContact O-N 3.12Å; V590-A601 HydrophobicContact CB-CB 4.19Å; V590-A601 HydrophobicContact CG2-CB 4.08Å; V590-A601 PolarHBondContact N-O 2.98Å; V590-A601 PolarHBondContact O-N 3.4Å; V590-W634 HydrophobicContact CB-CH2 4.5Å; V590-W634 HydrophobicContact CB-CZ2 4.43Å; V590-W634 HydrophobicContact CG1-CH2 3.69Å; V590-W634 HydrophobicContact CG1-CZ2 4Å; V590-W634 HydrophobicContact CG1-CZ3 3.97Å; V590-W634 HydrophobicContact CG2-CD2 3.49Å; V590-W634 VanDerWaalsContact CG2-CD2 3.49Å; V590-W634 HydrophobicContact CG2-CE3 3.93Å; V590-W634 HydrophobicContact CG2-CG 3.96Å; V590-W634 HydrophobicContact CG2-CH2 3.95Å; V590-W634 HydrophobicContact CG2-CZ2 3.51Å; V590-W634 HydrophobicContact CG2-CZ3 4.13Å
591	T	98.6	Very high	97.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.7	-175.8	68.2	0	0	0	0	111	F579 W581 K589 D593 S598 V599	F579-T591 PolarHBondContact N-O 3.04Å; F579-T591 PolarHBondContact O-N 3.22Å; W581-T591 PolarHBondContact NE1-OG1 3.32Å; K589-T591 HydrophobicContact CB-CG2 4.43Å; T591-D593 PolarHBondContact OG1-O 3.48Å; T591-S598 CarbonylContact C-O 2.91Å; T591-S598 VanDerWaalsContact CA-O 3.24Å; T591-S598 WeakPolarHBondContact CA-O 3.28Å; T591-V599 HydrophobicContact CG2-CG2 4.41Å
592	N	98.1	Very high	97.8	Very high	30 Å²	30	42.4 Å²	42.4	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	4	177	-153.4	60.2	0	0	0	113.5	K576 G577 S598 L600 S641	K576-N592 WeakPolarHBondContact CA-O 3.42Å; K576-N592 WeakPolarHBondContact CB-O 3.2Å; G577-N592 PolarHBondContact N-O 2.93Å; G577-N592 CarbonylContact O-C 3.54Å; G577-N592 WeakPolarHBondContact O-CA 3.32Å; G577-N592 PolarHBondContact O-OD1 3.1Å; N592-S598 PolarHBondContact N-O 2.95Å; N592-L600 HydrophobicContact CB-CD1 4.06Å; N592-L600 HydrophobicContact CB-CD2 4.21Å; N592-L600 HydrophobicContact CB-CG 4.15Å; N592-S641 PolarHBondContact ND2-O 2.82Å; N592-S641 PolarHBondContact OD1-O 3.03Å
593	D	98.4	Very high	97.7	Very high	16 Å²	16	43.7 Å²	43.7	9%	0.086	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.1	179.2	63.6	-86.5	0	0	0	111.1	A575 F579 T591 A595 G596 Q597 S598	A575-D593 WeakPolarHBondContact O-CA 3.45Å; F579-D593 VanDerWaalsContact CE2-C 3.45Å; T591-D593 PolarHBondContact OG1-O 3.48Å; D593-A595 VanDerWaalsContact C-N 3.29Å; D593-A595 PolarHBondContact O-N 2.87Å; D593-A595 WeakPolarHBondContact OD2-CB 3.48Å; D593-A595 PolarHBondContact OD2-N 3Å; D593-G596 PolarHBondContact O-N 2.95Å; D593-G596 PolarHBondContact OD2-N 3.15Å; D593-Q597 PolarHBondContact OD2-N 3.03Å; D593-S598 WeakPolarHBondContact OD1-CA 3.41Å; D593-S598 WeakPolarHBondContact OD1-CB 3.25Å; D593-S598 PolarHBondContact OD1-N 2.77Å; D593-S598 PolarHBondContact OD1-OG 3.24Å
594	L	98.6	Very high	97.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-34.4	-179	180	64.5	0	0	0	112.2	A528 Q530 V532 F560 V572 A575 F579 W581 G596	A528-L594 HydrophobicContact CB-CD2 3.62Å; Q530-L594 HydrophobicContact CB-CD1 3.93Å; Q530-L594 HydrophobicContact CB-CG 4.2Å; Q530-L594 HydrophobicContact CG-CD1 4.36Å; Q530-L594 PolarHBondContact OE1-O 2.93Å; V532-L594 HydrophobicContact CB-CD1 4.35Å; V532-L594 HydrophobicContact CB-CD2 4.46Å; V532-L594 HydrophobicContact CG1-CD2 3.79Å; F560-L594 HydrophobicContact CE1-CD1 4.11Å; F560-L594 HydrophobicContact CZ-CD1 3.76Å; V572-L594 HydrophobicContact CG2-CD2 4.08Å; A575-L594 HydrophobicContact CB-CB 4.26Å; A575-L594 HydrophobicContact CB-CD2 4.45Å; A575-L594 PolarHBondContact O-N 2.63Å; F579-L594 HydrophobicContact CD1-CD1 4.1Å; F579-L594 HydrophobicContact CE1-CB 3.99Å; F579-L594 HydrophobicContact CE1-CD1 3.69Å; F579-L594 HydrophobicContact CE1-CG 4.43Å; F579-L594 HydrophobicContact CE2-CB 4.39Å; F579-L594 HydrophobicContact CZ-CB 3.81Å; F579-L594 HydrophobicContact CZ-CD1 4.39Å; W581-L594 HydrophobicContact CH2-CD1 4.03Å; W581-L594 HydrophobicContact CZ2-CD1 4.38Å; W581-L594 WeakPolarHBondContact CZ2-O 3.2Å; L594-G596 PolarHBondContact O-N 3.43Å; L594-G596 VanDerWaalsContact O-N 3.14Å
595	A	97.3	Very high	97.7	Very high	35 Å²	35	49.8 Å²	49.8	29%	0.289	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.8	179.8	0	0	0	0	0	113.4	D593 Q597	D593-A595 VanDerWaalsContact C-N 3.29Å; D593-A595 PolarHBondContact O-N 2.87Å; D593-A595 WeakPolarHBondContact OD2-CB 3.48Å; D593-A595 PolarHBondContact OD2-N 3Å; A595-Q597 VanDerWaalsContact C-N 3.33Å; A595-Q597 HydrophobicContact CB-CG 4.11Å; A595-Q597 PolarHBondContact O-N 2.81Å
596	G	96.2	Very high	97.7	Very high	29 Å²	29	46.7 Å²	46.7	30%	0.299	28%	0.275	S	S	.	.	S	Bend	trans	72.5	21.5	176.6	0	0	0	0	0	114.7	D593 L594	D593-G596 PolarHBondContact O-N 2.95Å; D593-G596 PolarHBondContact OD2-N 3.15Å; L594-G596 PolarHBondContact O-N 3.43Å; L594-G596 VanDerWaalsContact O-N 3.14Å
597	Q	95.8	Very high	97.7	Very high	164 Å²	164	46.5 Å²	46.5	77%	0.766	27%	0.272	S	S	*	.			trans	-86.1	-33.2	-174.6	-63.2	-176.5	-4.3	0	0	113.1	D593 A595	D593-Q597 PolarHBondContact OD2-N 3.03Å; A595-Q597 VanDerWaalsContact C-N 3.33Å; A595-Q597 HydrophobicContact CB-CG 4.11Å; A595-Q597 PolarHBondContact O-N 2.81Å
598	S	96.8	Very high	97.5	Very high	63 Å²	63	53.5 Å²	53.5	44%	0.441	30%	0.296	S	S	.	.	S	Bend	trans	-101.4	84.7	-177.6	-42.8	0	0	0	0	110	T591 N592 D593	T591-S598 CarbonylContact C-O 2.91Å; T591-S598 VanDerWaalsContact CA-O 3.24Å; T591-S598 WeakPolarHBondContact CA-O 3.28Å; N592-S598 PolarHBondContact N-O 2.95Å; D593-S598 WeakPolarHBondContact OD1-CA 3.41Å; D593-S598 WeakPolarHBondContact OD1-CB 3.25Å; D593-S598 PolarHBondContact OD1-N 2.77Å; D593-S598 PolarHBondContact OD1-OG 3.24Å
599	V	97.9	Very high	97.3	Very high	67 Å²	67	53.7 Å²	53.7	41%	0.406	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	125.9	-179.7	-176.4	0	0	0	0	110.8	T591 E602	T591-V599 HydrophobicContact CG2-CG2 4.41Å; V599-E602 HydrophobicContact CG1-CB 4.25Å; V599-E602 HydrophobicContact CG1-CG 4.36Å
600	L	97.5	Very high	97.1	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.325	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-36.1	174.5	-61	176.9	0	0	0	111.9	V590 N592 V639	V590-L600 HydrophobicContact CB-CB 4.32Å; V590-L600 HydrophobicContact CG1-CB 4.18Å; V590-L600 HydrophobicContact CG1-CD1 4.23Å; V590-L600 PolarHBondContact O-N 3.12Å; N592-L600 HydrophobicContact CB-CD1 4.06Å; N592-L600 HydrophobicContact CB-CD2 4.21Å; N592-L600 HydrophobicContact CB-CG 4.15Å; L600-V639 HydrophobicContact CD1-CG2 4.15Å
601	A	98	Very high	96.9	Very high	20 Å²	20	59.1 Å²	59.1	17%	0.165	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	155.1	174.4	0	0	0	0	0	110.3	Y588 K589 V590 V636	Y588-A601 HydrophobicContact CE2-CB 4.41Å; K589-A601 CarbonylContact C-O 3.59Å; V590-A601 HydrophobicContact CB-CB 4.19Å; V590-A601 HydrophobicContact CG2-CB 4.08Å; V590-A601 PolarHBondContact N-O 2.98Å; V590-A601 PolarHBondContact O-N 3.4Å; A601-V636 HydrophobicContact CB-CG1 3.73Å
602	E	98.2	Very high	96.8	Very high	122 Å²	122	62 Å²	62	57%	0.57	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.4	158.8	172.1	61.1	-178.9	-165.5	0	0	109.9	Y588 K589 V599	Y588-E602 VanDerWaalsContact O-CA 3.3Å; Y588-E602 WeakPolarHBondContact O-CA 3.39Å; K589-E602 HydrophobicContact CG-CB 3.96Å; V599-E602 HydrophobicContact CG1-CB 4.25Å; V599-E602 HydrophobicContact CG1-CG 4.36Å
603	G	98.2	Very high	96.8	Very high	27 Å²	27	61.6 Å²	61.6	28%	0.278	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-157.9	-178.9	0	0	0	0	0	112.9	S587 Y588	S587-G603 CarbonylContact C-O 3.59Å; S587-G603 VanDerWaalsContact CA-O 3.29Å; S587-G603 WeakPolarHBondContact CA-O 3.24Å; S587-G603 WeakPolarHBondContact CB-O 3.37Å; Y588-G603 VanDerWaalsContact CD1-C 3.4Å; Y588-G603 VanDerWaalsContact CE1-C 3.45Å; Y588-G603 PolarHBondContact N-O 2.78Å; Y588-G603 PolarHBondContact O-N 2.93Å; Y588-G603 VanDerWaalsContact O-N 3.09Å
604	Q	98.3	Very high	96.8	Very high	145 Å²	145	63.2 Å²	63.2	68%	0.678	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.6	179.4	-62.8	-65.5	-63.3	0	0	110.1	G586	G586-Q604 CarbonylContact O-C 3.47Å; G586-Q604 WeakPolarHBondContact O-CA 3.22Å; G586-Q604 PolarHBondContact O-OE1 2.68Å
605	S	97.1	Very high	96.8	Very high	19 Å²	19	63.2 Å²	63.2	13%	0.133	34%	0.344	C	S	.	.			trans	-97.1	-31.3	173.6	54.3	0	0	0	0	112.3	G586 S587 T607 L628	G586-S605 PolarHBondContact O-N 2.72Å; G586-S605 PolarHBondContact O-OG 2.94Å; S587-S605 VanDerWaalsContact C-OG 3.32Å; S587-S605 PolarHBondContact O-OG 2.84Å; S587-S605 VanDerWaalsContact O-OG 3.06Å; S605-T607 PolarHBondContact OG-N 3.25Å; S605-T607 PolarHBondContact OG-OG1 3.01Å; S605-L628 VanDerWaalsContact O-CD2 3.3Å; S605-L628 WeakPolarHBondContact O-CD2 3.28Å
606	G	95.9	Very high	96.9	Very high	52 Å²	52	62 Å²	62	54%	0.536	33%	0.334	S	S	.	.			trans	75.2	9.9	-170.2	0	0	0	0	0	114.5	G586	G586-G606 PolarHBondContact O-N 2.97Å
607	T	96.4	Very high	97	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	32%	0.32	C	S	.	.			trans	-63.4	154.6	175.5	45.3	0	0	0	0	112.3	V582 F583 G586 S605 H613 L628	V582-T607 HydrophobicContact CB-CG2 3.99Å; V582-T607 HydrophobicContact CG1-CG2 4.25Å; V582-T607 HydrophobicContact CG2-CG2 4.25Å; F583-T607 PolarHBondContact O-OG1 2.81Å; G586-T607 WeakPolarHBondContact CA-O 3.49Å; G586-T607 PolarHBondContact N-O 2.89Å; S605-T607 PolarHBondContact OG-N 3.25Å; S605-T607 PolarHBondContact OG-OG1 3.01Å; T607-H613 WeakPolarHBondContact CA-NE2 3.35Å; T607-L628 HydrophobicContact CG2-CD1 3.91Å; T607-L628 HydrophobicContact CG2-CD2 3.78Å
608	R	94.8	Very high	97.2	Very high	164 Å²	164	54.3 Å²	54.3	62%	0.619	29%	0.294	S	S	*	.			trans	-137	154.1	-178.7	-66.7	-178	-178.4	-162.8	-1.5	111.1	D611 H613	R608-D611 HydrophobicContact CB-CB 4.44Å; R608-D611 WeakPolarHBondContact CB-OD2 3.03Å; R608-H613 PolarHBondContact N-NE2 2.97Å
609	P	94.6	Very high	97.2	Very high	29 Å²	29	51.4 Å²	51.4	19%	0.188	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	153.2	169.6	32.7	-36.2	0	0	0	110.2	V554 A584 D611	V554-P609 HydrophobicContact CB-CB 4.37Å; V554-P609 HydrophobicContact CB-CG 4.1Å; V554-P609 HydrophobicContact CG1-CB 4Å; V554-P609 HydrophobicContact CG1-CG 3.92Å; A584-P609 HydrophobicContact CB-CB 4.07Å; A584-P609 HydrophobicContact CB-CG 4.26Å; A584-P609 WeakPolarHBondContact O-CD 3.33Å; P609-D611 PolarHBondContact O-N 2.78Å
610	F	94.2	Very high	97.2	Very high	115 Å²	115	53.9 Å²	53.9	50%	0.504	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	20.7	-176.8	-56.3	-71.4	0	0	0	115.8	F550 M551 E552 V554	F550-F610 HydrophobicContact CE1-CD1 4Å; F550-F610 VanDerWaalsContact CE2-CA 3.49Å; F550-F610 HydrophobicContact CE2-CB 4.43Å; F550-F610 WeakPolarHBondContact CE2-O 3.22Å; F550-F610 VanDerWaalsContact CZ-CA 3.5Å; F550-F610 HydrophobicContact CZ-CB 4.09Å; F550-F610 AromaticContact CZ-CD1 3.81Å; F550-F610 HydrophobicContact CZ-CD1 3.81Å; F550-F610 HydrophobicContact CZ-CG 4.44Å; M551-F610 PolarHBondContact O-N 3.13Å; E552-F610 HydrophobicContact CB-CE1 4.29Å; E552-F610 WeakPolarHBondContact O-CZ 3.29Å; V554-F610 HydrophobicContact CG1-CD2 3.86Å; V554-F610 HydrophobicContact CG1-CE2 3.32Å; V554-F610 HydrophobicContact CG1-CZ 4.33Å
611	D	94.5	Very high	97.1	Very high	78 Å²	78	52.9 Å²	52.9	42%	0.417	28%	0.283	S	S	.	.			trans	-121.5	140.5	171	-75.1	-31.3	0	0	0	109.3	R608 P609	R608-D611 HydrophobicContact CB-CB 4.44Å; R608-D611 WeakPolarHBondContact CB-OD2 3.03Å; P609-D611 PolarHBondContact O-N 2.78Å
612	W	96.7	Very high	97.1	Very high	61 Å²	61	57.6 Å²	57.6	23%	0.231	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.6	174.3	-78.7	96.7	0	0	0	110.8	H509 T512 D548 F550 Q658 D660	H509-W612 HydrophobicContact CB-CD2 4.26Å; H509-W612 VanDerWaalsContact CB-CE2 3.48Å; H509-W612 HydrophobicContact CB-CH2 4.17Å; H509-W612 HydrophobicContact CB-CZ2 3.45Å; H509-W612 VanDerWaalsContact CB-CZ2 3.45Å; H509-W612 AromaticContact CD2-CD1 3.33Å; H509-W612 AromaticContact CD2-CD2 3.4Å; H509-W612 AromaticContact CD2-CE2 3.46Å; H509-W612 VanDerWaalsContact CD2-CE2 3.46Å; H509-W612 AromaticContact CD2-CG 3.34Å; H509-W612 AromaticContact CD2-NE1 3.38Å; H509-W612 PolarHBondContact CD2-NE1 3.11Å; H509-W612 AromaticContact CE1-CD2 3.93Å; H509-W612 AromaticContact CE1-CE3 3.92Å; H509-W612 AromaticContact CG-CD2 3.61Å; H509-W612 AromaticContact CG-CE2 3.35Å; H509-W612 AromaticContact CG-CZ2 3.68Å; H509-W612 AromaticContact CG-NE1 3.62Å; H509-W612 AromaticContact ND1-CD2 3.94Å; H509-W612 AromaticContact ND1-CE3 3.98Å; H509-W612 AromaticContact NE2-CD1 4Å; H509-W612 AromaticContact NE2-CD2 3.65Å; H509-W612 AromaticContact NE2-CG 3.55Å; T512-W612 HydrophobicContact CG2-CH2 3.67Å; T512-W612 HydrophobicContact CG2-CZ2 3.8Å; D548-W612 HydrophobicContact CB-CE3 3.86Å; D548-W612 HydrophobicContact CB-CZ3 4.03Å; F550-W612 HydrophobicContact CB-CD2 3.76Å; F550-W612 HydrophobicContact CB-CE3 3.79Å; F550-W612 HydrophobicContact CB-CG 4.5Å; F550-W612 HydrophobicContact CB-CH2 3.73Å; F550-W612 HydrophobicContact CB-CZ2 3.66Å; F550-W612 HydrophobicContact CB-CZ3 3.78Å; F550-W612 AromaticContact CD2-CD1 3.56Å; F550-W612 AromaticContact CD2-CD2 3.89Å; F550-W612 HydrophobicContact CD2-CD2 3.89Å; F550-W612 AromaticContact CD2-CE2 3.67Å; F550-W612 AromaticContact CD2-CG 3.83Å; F550-W612 HydrophobicContact CD2-CG 3.83Å; F550-W612 HydrophobicContact CD2-CZ2 4.31Å; F550-W612 AromaticContact CD2-NE1 3.45Å; F550-W612 AromaticContact CE2-CD1 3.93Å; F550-W612 AromaticContact CE2-NE1 3.84Å; F550-W612 HydrophobicContact CG-CD2 4.23Å; F550-W612 AromaticContact CG-CE2 3.87Å; F550-W612 HydrophobicContact CG-CZ2 4.06Å; W612-Q658 HydrophobicContact CH2-CB 3.67Å; W612-Q658 HydrophobicContact CZ2-CB 4.06Å; W612-D660 HydrophobicContact CH2-CB 3.97Å; W612-D660 HydrophobicContact CZ3-CB 3.86Å
613	H	97.8	Very high	97	Very high	22 Å²	22	54.3 Å²	54.3	10%	0.102	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	141	177.2	-70.7	-70.9	0	0	0	111.3	D548 V549 T607 R608 L628 D629	D548-H613 CarbonylContact C-O 3.51Å; D548-H613 WeakPolarHBondContact CA-O 3.15Å; V549-H613 HydrophobicContact CG2-CB 4.24Å; V549-H613 PolarHBondContact N-O 2.96Å; V549-H613 PolarHBondContact O-N 3.21Å; T607-H613 WeakPolarHBondContact CA-NE2 3.35Å; R608-H613 PolarHBondContact N-NE2 2.97Å; H613-L628 HydrophobicContact CB-CD1 3.79Å; H613-D629 WeakPolarHBondContact CA-OD1 3.34Å; H613-D629 IonicContact CE1-OD2 3.73Å; H613-D629 IonicContact ND1-OD1 2.96Å; H613-D629 IonicContact ND1-OD2 3.74Å; H613-D629 PolarHBondContact ND1-OD2 2.91Å
614	N	98.6	Very high	97	Very high	51 Å²	51	53.1 Å²	53.1	27%	0.273	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.9	173.4	-178.2	-101	0	0	0	110.4	D548 L628 D629	D548-N614 WeakPolarHBondContact OD1-CB 3.41Å; D548-N614 PolarHBondContact OD1-ND2 2.94Å; N614-L628 WeakPolarHBondContact O-CA 3.45Å; N614-D629 PolarHBondContact N-OD1 3.5Å; N614-D629 PolarHBondContact O-N 3.17Å
615	L	98.9	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.8	172.9	-59.1	-172.9	0	0	0	110.6	T546 C547 V549 V561 F580 V582 L628	T546-L615 CarbonylContact C-O 3.58Å; T546-L615 WeakPolarHBondContact CA-O 3.33Å; C547-L615 PolarHBondContact N-O 3.44Å; C547-L615 PolarHBondContact O-N 3.39Å; V549-L615 HydrophobicContact CG1-CD1 4.06Å; V549-L615 HydrophobicContact CG1-CG 4.3Å; V549-L615 HydrophobicContact CG2-CD1 3.91Å; V549-L615 HydrophobicContact CG2-CG 3.88Å; V561-L615 HydrophobicContact CG1-CB 4.1Å; V561-L615 HydrophobicContact CG1-CD1 4.36Å; V561-L615 HydrophobicContact CG2-CB 4Å; V561-L615 HydrophobicContact CG2-CD1 4.41Å; F580-L615 HydrophobicContact CE1-CB 4.43Å; F580-L615 HydrophobicContact CE1-CD2 4.05Å; F580-L615 HydrophobicContact CZ-CD2 4.13Å; V582-L615 HydrophobicContact CG1-CD1 4.38Å; V582-L615 HydrophobicContact CG1-CD2 3.73Å; V582-L615 HydrophobicContact CG2-CD1 3.95Å; V582-L615 HydrophobicContact CG2-CD2 4.17Å; L615-L628 HydrophobicContact CD2-CD1 3.56Å
616	S	98.8	Very high	97.1	Very high	11 Å²	11	47 Å²	47	8%	0.077	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.8	170	178.9	0	0	0	0	110.2	V545 G626 M627	V545-S616 CarbonylContact O-C 3.52Å; V545-S616 WeakPolarHBondContact O-CA 3.4Å; S616-G626 CarbonylContact O-C 3.57Å; S616-G626 VanDerWaalsContact O-CA 3.23Å; S616-G626 WeakPolarHBondContact O-CA 3.39Å; S616-M627 PolarHBondContact N-O 2.81Å; S616-M627 PolarHBondContact O-N 3Å
617	L	98.9	Very high	97.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.9	173.4	169.8	62	0	0	0	109.5	M544 V545 V561 A563 V578 F580 V619 W634	M544-L617 CarbonylContact C-O 3.5Å; M544-L617 VanDerWaalsContact CA-O 3.25Å; M544-L617 WeakPolarHBondContact CA-O 2.96Å; V545-L617 PolarHBondContact N-O 2.89Å; V545-L617 PolarHBondContact O-N 2.82Å; V561-L617 HydrophobicContact CG2-CB 3.79Å; A563-L617 HydrophobicContact CB-CD2 3.78Å; A563-L617 HydrophobicContact CB-CG 4.36Å; V578-L617 HydrophobicContact CB-CD2 4.41Å; V578-L617 HydrophobicContact CG1-CD1 3.9Å; V578-L617 HydrophobicContact CG1-CD2 4.35Å; V578-L617 WeakPolarHBondContact O-CD2 3.34Å; F580-L617 HydrophobicContact CB-CD1 4.49Å; F580-L617 HydrophobicContact CB-CD2 4.5Å; L617-V619 HydrophobicContact CD1-CG2 4.05Å; L617-V619 HydrophobicContact CG-CG2 4.15Å; L617-W634 HydrophobicContact CD1-CH2 3.54Å; L617-W634 HydrophobicContact CD1-CZ2 3.91Å
618	S	98.6	Very high	97.4	Very high	31 Å²	31	48.4 Å²	48.4	22%	0.217	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.2	173.8	-175.8	0	0	0	0	110	A624 S625	S618-A624 CarbonylContact O-C 3.55Å; S618-A624 WeakPolarHBondContact O-CA 3.22Å; S618-S625 PolarHBondContact N-O 3.06Å; S618-S625 PolarHBondContact O-N 3Å
619	V	98.5	Very high	97.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.1	175.3	-172.4	0	0	0	0	108.7	N542 M543 A563 R564 V578 L617 A624	N542-V619 CarbonylContact C-O 3.55Å; N542-V619 VanDerWaalsContact CA-O 3.23Å; N542-V619 WeakPolarHBondContact CA-O 3.35Å; M543-V619 PolarHBondContact N-O 2.8Å; M543-V619 PolarHBondContact O-N 2.87Å; A563-V619 HydrophobicContact CB-CB 4.5Å; A563-V619 HydrophobicContact CB-CG2 3.72Å; R564-V619 VanDerWaalsContact CZ-CG1 3.4Å; V578-V619 HydrophobicContact CB-CG2 4.1Å; V578-V619 HydrophobicContact CG1-CG2 4.42Å; V578-V619 HydrophobicContact CG2-CG1 4.41Å; V578-V619 HydrophobicContact CG2-CG2 4.01Å; L617-V619 HydrophobicContact CD1-CG2 4.05Å; L617-V619 HydrophobicContact CG-CG2 4.15Å; V619-A624 HydrophobicContact CG2-CB 4.11Å
620	K	97.3	Very high	97.6	Very high	120 Å²	120	45.6 Å²	45.6	52%	0.522	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	117.9	179.8	-173.2	167.4	-175.9	140.6	0	111	N542 Q622 S623 E667	N542-K620 WeakPolarHBondContact OD1-CA 3.42Å; K620-Q622 PolarHBondContact O-N 3.31Å; K620-S623 PolarHBondContact N-O 2.69Å; K620-S623 PolarHBondContact O-N 2.95Å; K620-E667 IonicContact NZ-OE1 2.74Å; K620-E667 PolarHBondContact NZ-OE1 3.17Å; K620-E667 IonicContact NZ-OE2 3.94Å
621	G	95.8	Very high	97.8	Very high	40 Å²	40	49.8 Å²	49.8	41%	0.412	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	-117.3	-174.2	0	0	0	0	0	111	N542 R564	N542-G621 PolarHBondContact OD1-N 3.27Å; R564-G621 PolarHBondContact NH1-O 3.44Å; R564-G621 VanDerWaalsContact NH1-O 3.08Å; R564-G621 PolarHBondContact NH2-O 3.22Å
622	Q	96.3	Very high	98	Very high	120 Å²	120	52.4 Å²	52.4	56%	0.561	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	9	177.1	-59.9	-174	24.7	0	0	113.6	K620 T637 G638 V639	K620-Q622 PolarHBondContact O-N 3.31Å; Q622-T637 CarbonylContact O-C 3.45Å; Q622-T637 WeakPolarHBondContact O-CA 3.48Å; Q622-G638 PolarHBondContact O-N 3.22Å; Q622-V639 WeakPolarHBondContact CA-O 3.29Å; Q622-V639 PolarHBondContact O-N 2.83Å
623	S	97.5	Very high	98	Very high	53 Å²	53	51.7 Å²	51.7	37%	0.371	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.2	-179.8	-56.8	0	0	0	0	110.4	K620 V636	K620-S623 PolarHBondContact N-O 2.69Å; K620-S623 PolarHBondContact O-N 2.95Å; S623-V636 WeakPolarHBondContact CA-O 3.41Å
624	A	98.4	Very high	98.1	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.6	172	0	0	0	0	0	110.2	V578 S618 V619 W634 N635 V636 V639	V578-A624 HydrophobicContact CG1-CB 4.11Å; S618-A624 CarbonylContact O-C 3.55Å; S618-A624 WeakPolarHBondContact O-CA 3.22Å; V619-A624 HydrophobicContact CG2-CB 4.11Å; A624-W634 VanDerWaalsContact C-CZ3 3.47Å; A624-W634 HydrophobicContact CB-CH2 4.17Å; A624-W634 HydrophobicContact CB-CZ3 3.91Å; A624-W634 VanDerWaalsContact O-CZ3 3.29Å; A624-W634 WeakPolarHBondContact O-CZ3 3.3Å; A624-N635 WeakPolarHBondContact O-CA 3.44Å; A624-N635 PolarHBondContact O-OD1 3.36Å; A624-N635 VanDerWaalsContact O-OD1 3.12Å; A624-V636 HydrophobicContact CB-CG2 4.09Å; A624-V636 PolarHBondContact N-O 2.88Å; A624-V636 PolarHBondContact O-N 2.75Å; A624-V639 HydrophobicContact CB-CG2 4.04Å
625	S	98.6	Very high	98	Very high	35 Å²	35	53.5 Å²	53.5	25%	0.245	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.8	174.6	65.3	0	0	0	0	111.6	S618 W634	S618-S625 PolarHBondContact N-O 3.06Å; S618-S625 PolarHBondContact O-N 3Å; S625-W634 WeakPolarHBondContact CA-O 3.19Å
626	G	98.7	Very high	97.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142	178.7	0	0	0	0	0	112.4	S616 L633 W634	S616-G626 CarbonylContact O-C 3.57Å; S616-G626 VanDerWaalsContact O-CA 3.23Å; S616-G626 WeakPolarHBondContact O-CA 3.39Å; G626-L633 PolarHBondContact O-N 2.96Å; G626-W634 VanDerWaalsContact CA-CE2 3.41Å; G626-W634 PolarHBondContact N-O 2.77Å; G626-W634 VanDerWaalsContact N-O 3.09Å; G626-W634 PolarHBondContact O-N 2.84Å
627	M	98.8	Very high	97.8	Very high	68 Å²	68	59.2 Å²	59.2	34%	0.335	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.1	171.1	-51.1	170	58.2	0	0	109.8	S616 G630 R631	S616-M627 PolarHBondContact N-O 2.81Å; S616-M627 PolarHBondContact O-N 3Å; M627-G630 VanDerWaalsContact CE-C 3.41Å; M627-G630 WeakPolarHBondContact CE-O 3.37Å; M627-R631 CarbonylContact C-O 3.59Å; M627-R631 WeakPolarHBondContact CA-O 3.43Å; M627-R631 WeakPolarHBondContact CB-O 3.26Å
628	L	98.7	Very high	97.3	Very high	15 Å²	15	61.4 Å²	61.4	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.8	172.1	175.4	67.5	0	0	0	107.4	S605 T607 H613 N614 L615 G630 R631 L633	S605-L628 VanDerWaalsContact O-CD2 3.3Å; S605-L628 WeakPolarHBondContact O-CD2 3.28Å; T607-L628 HydrophobicContact CG2-CD1 3.91Å; T607-L628 HydrophobicContact CG2-CD2 3.78Å; H613-L628 HydrophobicContact CB-CD1 3.79Å; N614-L628 WeakPolarHBondContact O-CA 3.45Å; L615-L628 HydrophobicContact CD2-CD1 3.56Å; L628-G630 PolarHBondContact O-N 2.91Å; L628-R631 PolarHBondContact N-O 2.74Å; L628-R631 PolarHBondContact O-N 3.09Å; L628-L633 HydrophobicContact CB-CD2 4.33Å
629	D	98.1	Very high	97	Very high	82 Å²	82	60 Å²	60	44%	0.439	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	42.5	178.3	-55.5	-34.5	0	0	0	112.7	H613 N614 R631	H613-D629 WeakPolarHBondContact CA-OD1 3.34Å; H613-D629 IonicContact CE1-OD2 3.73Å; H613-D629 IonicContact ND1-OD1 2.96Å; H613-D629 IonicContact ND1-OD2 3.74Å; H613-D629 PolarHBondContact ND1-OD2 2.91Å; N614-D629 PolarHBondContact N-OD1 3.5Å; N614-D629 PolarHBondContact O-N 3.17Å; D629-R631 VanDerWaalsContact C-N 3.26Å; D629-R631 PolarHBondContact O-N 3.45Å
630	G	96.6	Very high	96.5	Very high	53 Å²	53	63.3 Å²	63.3	55%	0.546	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	3.7	-179.9	0	0	0	0	0	115.4	M627 L628	M627-G630 VanDerWaalsContact CE-C 3.41Å; M627-G630 WeakPolarHBondContact CE-O 3.37Å; L628-G630 PolarHBondContact O-N 2.91Å
631	R	97.6	Very high	96.2	Very high	202 Å²	202	60.4 Å²	60.4	76%	0.762	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.7	177.9	-61.3	-178.4	-177.1	-177.4	2.4	110.9	M627 L628 D629 L633	M627-R631 CarbonylContact C-O 3.59Å; M627-R631 WeakPolarHBondContact CA-O 3.43Å; M627-R631 WeakPolarHBondContact CB-O 3.26Å; L628-R631 PolarHBondContact N-O 2.74Å; L628-R631 PolarHBondContact O-N 3.09Å; D629-R631 VanDerWaalsContact C-N 3.26Å; D629-R631 PolarHBondContact O-N 3.45Å; R631-L633 PolarHBondContact O-N 2.97Å
632	Q	97.9	Very high	96.1	Very high	133 Å²	133	58.9 Å²	58.9	62%	0.621	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	126.4	177.1	-175.7	175.4	-22.2	0	0	110.8
633	L	98.1	Very high	96.1	Very high	46 Å²	46	60.1 Å²	60.1	24%	0.241	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-41.5	-178.8	-173.9	60.7	0	0	0	111.7	F580 Y588 G626 L628 R631	F580-L633 HydrophobicContact CE2-CD2 4.01Å; F580-L633 HydrophobicContact CZ-CD2 3.83Å; Y588-L633 HydrophobicContact CD1-CD1 4.11Å; Y588-L633 HydrophobicContact CD1-CD2 3.53Å; Y588-L633 HydrophobicContact CD1-CG 3.84Å; Y588-L633 HydrophobicContact CD2-CD2 4.32Å; Y588-L633 HydrophobicContact CE1-CD1 3.95Å; Y588-L633 HydrophobicContact CE1-CD2 4Å; Y588-L633 HydrophobicContact CE1-CG 3.75Å; Y588-L633 HydrophobicContact CG-CD2 3.71Å; Y588-L633 HydrophobicContact CG-CG 4.34Å; G626-L633 PolarHBondContact O-N 2.96Å; L628-L633 HydrophobicContact CB-CD2 4.33Å; R631-L633 PolarHBondContact O-N 2.97Å
634	W	98.4	Very high	96.1	Very high	12 Å²	12	59.3 Å²	59.3	5%	0.045	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	162	-177.9	57.2	-96.6	0	0	0	112.1	V578 F580 Y588 V590 L617 A624 S625 G626 V636	V578-W634 HydrophobicContact CG1-CH2 4.43Å; F580-W634 HydrophobicContact CB-CZ2 3.9Å; F580-W634 HydrophobicContact CD1-CZ2 4.02Å; F580-W634 AromaticContact CD1-NE1 3.98Å; F580-W634 AromaticContact CD2-CE2 3.96Å; F580-W634 HydrophobicContact CD2-CZ2 4.04Å; F580-W634 AromaticContact CD2-NE1 3.28Å; F580-W634 VanDerWaalsContact CD2-NE1 3.28Å; F580-W634 AromaticContact CE1-NE1 3.85Å; F580-W634 AromaticContact CE2-CD1 3.93Å; F580-W634 AromaticContact CE2-NE1 3.15Å; F580-W634 AromaticContact CG-CZ2 3.7Å; F580-W634 HydrophobicContact CG-CZ2 3.7Å; F580-W634 AromaticContact CG-NE1 3.73Å; F580-W634 AromaticContact CZ-NE1 3.46Å; Y588-W634 AromaticContact CD2-CD1 3.69Å; Y588-W634 HydrophobicContact CD2-CG 4.48Å; Y588-W634 HydrophobicContact CE2-CB 3.97Å; Y588-W634 AromaticContact CE2-CD1 3.44Å; Y588-W634 VanDerWaalsContact CE2-CD1 3.44Å; Y588-W634 AromaticContact CE2-CG 3.85Å; Y588-W634 HydrophobicContact CE2-CG 3.85Å; V590-W634 HydrophobicContact CB-CH2 4.5Å; V590-W634 HydrophobicContact CB-CZ2 4.43Å; V590-W634 HydrophobicContact CG1-CH2 3.69Å; V590-W634 HydrophobicContact CG1-CZ2 4Å; V590-W634 HydrophobicContact CG1-CZ3 3.97Å; V590-W634 HydrophobicContact CG2-CD2 3.49Å; V590-W634 VanDerWaalsContact CG2-CD2 3.49Å; V590-W634 HydrophobicContact CG2-CE3 3.93Å; V590-W634 HydrophobicContact CG2-CG 3.96Å; V590-W634 HydrophobicContact CG2-CH2 3.95Å; V590-W634 HydrophobicContact CG2-CZ2 3.51Å; V590-W634 HydrophobicContact CG2-CZ3 4.13Å; L617-W634 HydrophobicContact CD1-CH2 3.54Å; L617-W634 HydrophobicContact CD1-CZ2 3.91Å; A624-W634 VanDerWaalsContact C-CZ3 3.47Å; A624-W634 HydrophobicContact CB-CH2 4.17Å; A624-W634 HydrophobicContact CB-CZ3 3.91Å; A624-W634 VanDerWaalsContact O-CZ3 3.29Å; A624-W634 WeakPolarHBondContact O-CZ3 3.3Å; S625-W634 WeakPolarHBondContact CA-O 3.19Å; G626-W634 VanDerWaalsContact CA-CE2 3.41Å; G626-W634 PolarHBondContact N-O 2.77Å; G626-W634 VanDerWaalsContact N-O 3.09Å; G626-W634 PolarHBondContact O-N 2.84Å; W634-V636 HydrophobicContact CE3-CG1 4.23Å; W634-V636 HydrophobicContact CE3-CG2 4.3Å; W634-V636 HydrophobicContact CZ3-CG2 3.93Å
635	N	97.9	Very high	96.1	Very high	99 Å²	99	59.2 Å²	59.2	53%	0.529	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	131	172.5	-178.9	12.5	0	0	0	108.5	A624	A624-N635 WeakPolarHBondContact O-CA 3.44Å; A624-N635 PolarHBondContact O-OD1 3.36Å; A624-N635 VanDerWaalsContact O-OD1 3.12Å
636	V	97.2	Very high	96.2	Very high	21 Å²	21	57.5 Å²	57.5	13%	0.127	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	154	179.6	-58.2	0	0	0	0	110.8	A601 S623 A624 W634 V639	A601-V636 HydrophobicContact CB-CG1 3.73Å; S623-V636 WeakPolarHBondContact CA-O 3.41Å; A624-V636 HydrophobicContact CB-CG2 4.09Å; A624-V636 PolarHBondContact N-O 2.88Å; A624-V636 PolarHBondContact O-N 2.75Å; W634-V636 HydrophobicContact CE3-CG1 4.23Å; W634-V636 HydrophobicContact CE3-CG2 4.3Å; W634-V636 HydrophobicContact CZ3-CG2 3.93Å; V636-V639 HydrophobicContact CG2-CG2 4.03Å
637	T	95.3	Very high	96.2	Very high	111 Å²	111	57.5 Å²	57.5	68%	0.681	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	167.9	172.8	60.6	0	0	0	0	109.9	Q622	Q622-T637 CarbonylContact O-C 3.45Å; Q622-T637 WeakPolarHBondContact O-CA 3.48Å
638	G	89.3	Confident	96.2	Very high	45 Å²	45	54.3 Å²	54.3	46%	0.464	30%	0.301	S	S	.	.			trans	88.9	11.7	179.2	0	0	0	0	0	114.7	Q622 S640	Q622-G638 PolarHBondContact O-N 3.22Å; G638-S640 PolarHBondContact O-N 3.25Å
639	V	92.6	Very high	96.2	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	30%	0.298	C	S	.	.			trans	-75.2	75.7	173.7	-174	0	0	0	0	109.8	R564 V578 L600 Q622 A624 V636	R564-V639 PolarHBondContact NH1-O 3.45Å; V578-V639 HydrophobicContact CG2-CG1 3.31Å; V578-V639 HydrophobicContact CG2-CG2 4.5Å; L600-V639 HydrophobicContact CD1-CG2 4.15Å; Q622-V639 WeakPolarHBondContact CA-O 3.29Å; Q622-V639 PolarHBondContact O-N 2.83Å; A624-V639 HydrophobicContact CB-CG2 4.04Å; V636-V639 HydrophobicContact CG2-CG2 4.03Å
640	S	87.1	Confident	96.2	Very high	70 Å²	70	49.7 Å²	49.7	49%	0.49	28%	0.277	S	S	.	.			trans	-96.2	-15.2	-173.3	58.9	0	0	0	0	114.5	G638	G638-S640 PolarHBondContact O-N 3.25Å
641	S	90.9	Very high	96.3	Very high	59 Å²	59	47.1 Å²	47.1	41%	0.413	25%	0.251	S	S	.	.	S	Bend	trans	-149.9	135.4	-179.8	177.8	0	0	0	0	110.1	N592	N592-S641 PolarHBondContact ND2-O 2.82Å; N592-S641 PolarHBondContact OD1-O 3.03Å
642	P	94.3	Very high	96.3	Very high	8 Å²	8	41 Å²	41	5%	0.052	23%	0.231	C	C	.	.	S	Bend	cis	-70.5	158.5	-4.7	30.2	-35.4	0	0	0	112.5	R564 D566 K576	R564-P642 HydrophobicContact CB-CG 4.14Å; R564-P642 VanDerWaalsContact CD-O 3.26Å; R564-P642 WeakPolarHBondContact CD-O 3.32Å; R564-P642 WeakPolarHBondContact O-CG 3.44Å; D566-P642 HydrophobicContact CB-CB 3.63Å; D566-P642 HydrophobicContact CB-CG 3.9Å; K576-P642 HydrophobicContact CB-CG 4.13Å
643	K	95.9	Very high	96.3	Very high	147 Å²	147	36.4 Å²	36.4	64%	0.639	21%	0.213	S	C	*	.			trans	-83.9	-30.6	-177.6	-71.4	-176.4	178.6	177.6	0	112.6	Q541 R564	Q541-K643 WeakPolarHBondContact CA-O 3.48Å; Q541-K643 WeakPolarHBondContact CB-O 3.49Å; Q541-K643 WeakPolarHBondContact CG-O 3.18Å; R564-K643 PolarHBondContact NE-O 3.04Å
644	N	98.2	Very high	96.3	Very high	35 Å²	35	35.3 Å²	35.3	19%	0.187	21%	0.206	C	C	.	.	S	Bend	trans	-146	165.5	-176.2	61.8	-81.4	0	0	0	109.3	Y538 W540 Q541	Y538-N644 WeakPolarHBondContact CD1-ND2 3.11Å; Y538-N644 WeakPolarHBondContact CE1-ND2 3.23Å; Y538-N644 WeakPolarHBondContact O-CB 3.36Å; Y538-N644 PolarHBondContact O-ND2 3.01Å; W540-N644 WeakPolarHBondContact O-CA 3.2Å; W540-N644 WeakPolarHBondContact O-CB 3.19Å; Q541-N644 HydrophobicContact CG-CB 3.88Å
645	G	98.6	Very high	96.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.206	C	C	.	.			trans	158.5	-177.5	173.8	0	0	0	0	0	110.7	Y538 W540 M543 V565	Y538-G645 WeakPolarHBondContact O-CA 3.28Å; Y538-G645 PolarHBondContact O-N 2.79Å; W540-G645 PolarHBondContact O-N 2.86Å; W540-G645 VanDerWaalsContact O-N 3.17Å; M543-G645 WeakPolarHBondContact CE-O 3.37Å; V565-G645 CarbonylContact O-C 3.58Å; V565-G645 WeakPolarHBondContact O-CA 3.49Å
646	W	98.9	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	166	-178.8	-58.6	-73.1	0	0	0	113.1	Y298 E300 L301 V534 Y538 A563 R564 V565	Y298-W646 AromaticContact CD2-NE1 3.97Å; Y298-W646 HydrophobicContact CG-CZ2 4.44Å; Y298-W646 AromaticContact CG-NE1 3.78Å; E300-W646 HydrophobicContact CB-CH2 4.01Å; E300-W646 HydrophobicContact CB-CZ2 3.83Å; L301-W646 HydrophobicContact CD2-CH2 3.96Å; L301-W646 HydrophobicContact CD2-CZ3 4.39Å; L301-W646 HydrophobicContact CG-CH2 4.1Å; L301-W646 HydrophobicContact CG-CZ2 4.32Å; V534-W646 HydrophobicContact CB-CB 3.99Å; V534-W646 HydrophobicContact CB-CD2 4.37Å; V534-W646 HydrophobicContact CB-CE3 4.38Å; V534-W646 HydrophobicContact CB-CG 4.24Å; V534-W646 HydrophobicContact CG1-CE3 4.4Å; V534-W646 HydrophobicContact CG2-CD2 4.3Å; V534-W646 HydrophobicContact CG2-CE3 4.34Å; V534-W646 HydrophobicContact CG2-CG 4.5Å; Y538-W646 AromaticContact CD2-CD2 3.77Å; Y538-W646 HydrophobicContact CD2-CD2 3.77Å; Y538-W646 AromaticContact CD2-CE2 3.63Å; Y538-W646 AromaticContact CD2-CE3 3.82Å; Y538-W646 HydrophobicContact CD2-CE3 3.82Å; Y538-W646 AromaticContact CD2-CH2 3.61Å; Y538-W646 HydrophobicContact CD2-CH2 3.61Å; Y538-W646 AromaticContact CD2-CZ2 3.56Å; Y538-W646 HydrophobicContact CD2-CZ2 3.56Å; Y538-W646 AromaticContact CD2-CZ3 3.73Å; Y538-W646 HydrophobicContact CD2-CZ3 3.73Å; Y538-W646 HydrophobicContact CE2-CE3 4.25Å; Y538-W646 AromaticContact CE2-CH2 4Å; Y538-W646 HydrophobicContact CE2-CH2 4Å; Y538-W646 HydrophobicContact CE2-CZ2 4.4Å; Y538-W646 AromaticContact CE2-CZ3 3.92Å; Y538-W646 HydrophobicContact CE2-CZ3 3.92Å; Y538-W646 HydrophobicContact CG-CZ2 4.15Å; A563-W646 CarbonylContact C-O 3.19Å; R564-W646 PolarHBondContact N-O 3.29Å; V565-W646 PolarHBondContact N-O 2.66Å; V565-W646 PolarHBondContact O-N 3.19Å
647	A	98.9	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	155.8	156.6	0	0	0	0	0	109.2	V534 I535 M543 V545 A562 F662 V664	V534-A647 WeakPolarHBondContact CA-O 3.49Å; I535-A647 HydrophobicContact CG2-CB 4.18Å; I535-A647 PolarHBondContact N-O 3.38Å; I535-A647 PolarHBondContact O-N 2.71Å; M543-A647 HydrophobicContact SD-CB 4.33Å; V545-A647 HydrophobicContact CG1-CB 4.47Å; V545-A647 HydrophobicContact CG2-CB 3.71Å; A562-A647 WeakPolarHBondContact O-CA 3.12Å; A647-F662 HydrophobicContact CB-CZ 4.26Å; A647-V664 HydrophobicContact CB-CG2 4.25Å
648	A	98.9	Very high	96.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.4	175.8	0	0	0	0	0	112.9	V532 T533 V534 V561 A562 V565	V532-A648 HydrophobicContact CG2-CB 3.92Å; T533-A648 WeakPolarHBondContact O-CA 3.44Å; T533-A648 WeakPolarHBondContact O-CB 3.46Å; V534-A648 HydrophobicContact CG1-CB 4.13Å; V561-A648 CarbonylContact C-O 3.5Å; A562-A648 HydrophobicContact CB-CB 4.23Å; A562-A648 PolarHBondContact N-O 3.34Å; A562-A648 PolarHBondContact O-N 2.89Å; V565-A648 HydrophobicContact CG2-CB 3.76Å
649	I	98.9	Very high	96.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157	168.5	59.5	-179.3	0	0	0	109	F490 L513 V532 T533 C547 F560 V561 F659 F662	F490-I649 HydrophobicContact CD1-CD1 4.45Å; F490-I649 HydrophobicContact CE1-CD1 3.85Å; F490-I649 HydrophobicContact CE1-CG1 4.27Å; L513-I649 HydrophobicContact CD2-CD1 3.97Å; V532-I649 WeakPolarHBondContact CA-O 3.4Å; T533-I649 HydrophobicContact CG2-CD1 4.06Å; T533-I649 HydrophobicContact CG2-CG1 3.43Å; T533-I649 VanDerWaalsContact CG2-CG1 3.43Å; T533-I649 PolarHBondContact N-O 3.43Å; T533-I649 PolarHBondContact O-N 3.33Å; C547-I649 HydrophobicContact CB-CG2 4.36Å; F560-I649 WeakPolarHBondContact O-CA 3.29Å; V561-I649 HydrophobicContact CG1-CG2 4.16Å; I649-F659 HydrophobicContact CB-CD1 3.91Å; I649-F659 HydrophobicContact CB-CE1 3.85Å; I649-F659 HydrophobicContact CD1-CB 3.93Å; I649-F659 HydrophobicContact CD1-CD1 3.91Å; I649-F659 HydrophobicContact CD1-CD2 4.25Å; I649-F659 HydrophobicContact CD1-CG 3.76Å; I649-F659 HydrophobicContact CG1-CD1 4.3Å; I649-F659 HydrophobicContact CG1-CE1 4.45Å; I649-F659 HydrophobicContact CG2-CD1 4.34Å; I649-F662 HydrophobicContact CG2-CD2 4.05Å; I649-F662 HydrophobicContact CG2-CE2 4.06Å
650	G	98.8	Very high	97.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-174.7	178.1	0	0	0	0	0	115	T531 V559 F560 F659	T531-G650 VanDerWaalsContact O-CA 3.31Å; T531-G650 WeakPolarHBondContact O-CA 3.23Å; V559-G650 CarbonylContact C-O 3.45Å; V559-G650 WeakPolarHBondContact CA-O 3.3Å; F560-G650 VanDerWaalsContact CD1-C 3.44Å; F560-G650 WeakPolarHBondContact CD1-O 3.25Å; F560-G650 VanDerWaalsContact CE1-CA 3.41Å; F560-G650 PolarHBondContact N-O 2.84Å; F560-G650 PolarHBondContact O-N 2.93Å; G650-F659 WeakPolarHBondContact O-CZ 3.49Å
651	T	98.9	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.7	-174.6	66.6	0	0	0	0	111.9	Q515 Q530 T531 G558 V559 S653 A657 F659	Q515-T651 HydrophobicContact CB-CG2 3.96Å; Q515-T651 HydrophobicContact CG-CG2 4.08Å; Q530-T651 WeakPolarHBondContact CA-O 3.1Å; Q530-T651 WeakPolarHBondContact CB-O 3.38Å; T531-T651 WeakPolarHBondContact CB-OG1 3.4Å; T531-T651 WeakPolarHBondContact CG2-OG1 3.17Å; T531-T651 PolarHBondContact N-O 2.81Å; T531-T651 VanDerWaalsContact N-O 3.07Å; T531-T651 PolarHBondContact O-N 2.87Å; T531-T651 WeakPolarHBondContact OG1-CB 3.24Å; T531-T651 PolarHBondContact OG1-N 3.16Å; T531-T651 VanDerWaalsContact OG1-N 3.11Å; T531-T651 PolarHBondContact OG1-OG1 2.86Å; G558-T651 CarbonylContact O-C 3.52Å; G558-T651 WeakPolarHBondContact O-CA 3.26Å; V559-T651 HydrophobicContact CG1-CG2 4.36Å; T651-S653 VanDerWaalsContact C-N 3.27Å; T651-S653 PolarHBondContact O-N 2.9Å; T651-S653 PolarHBondContact OG1-O 3.04Å; T651-A657 HydrophobicContact CG2-CB 3.51Å; T651-F659 HydrophobicContact CG2-CE2 4.36Å; T651-F659 HydrophobicContact CG2-CZ 4.16Å
652	H	98.1	Very high	98.1	Very high	74 Å²	74	21.4 Å²	21.4	34%	0.343	11%	0.107	S	C	.	.	S	Bend	trans	-66.5	-28.1	-176.9	172.2	-113.3	0	0	0	113.5	Q530 G558 W581 F583	Q530-H652 WeakPolarHBondContact CG-O 3.25Å; G558-H652 PolarHBondContact O-N 2.98Å; W581-H652 HydrophobicContact CZ3-CB 4.46Å; F583-H652 HydrophobicContact CE1-CB 4.24Å; F583-H652 AromaticContact CE1-CD2 3.86Å; F583-H652 AromaticContact CE1-CG 3.93Å
653	S	97.6	Very high	98.3	Very high	36 Å²	36	22.1 Å²	22.1	25%	0.252	11%	0.11	S	C	.	.	S	Bend	trans	-147.3	-176.8	174.6	63.4	0	0	0	0	110.6	T651 E655	T651-S653 VanDerWaalsContact C-N 3.27Å; T651-S653 PolarHBondContact O-N 2.9Å; T651-S653 PolarHBondContact OG1-O 3.04Å; S653-E655 PolarHBondContact N-OE1 2.89Å; S653-E655 PolarHBondContact O-N 3.09Å; S653-E655 VanDerWaalsContact OG-CD 3.25Å; S653-E655 PolarHBondContact OG-OE1 2.89Å
654	F	97.6	Very high	98.4	Very high	22 Å²	22	15.1 Å²	15.1	10%	0.096	8%	0.08	C	C	.	.	S	Bend	trans	-68.1	84	169.2	-67.3	-89.2	0	0	0	109.9	T494 V517 T518 R520 P521 T531	T494-F654 HydrophobicContact CG2-CE1 4Å; T494-F654 HydrophobicContact CG2-CE2 4.48Å; T494-F654 HydrophobicContact CG2-CZ 3.62Å; V517-F654 HydrophobicContact CB-CD1 4.07Å; V517-F654 HydrophobicContact CG1-CD1 3.59Å; V517-F654 HydrophobicContact CG1-CE1 4.2Å; V517-F654 CarbonylContact O-C 3.57Å; T518-F654 CarbonylContact C-O 3.58Å; T518-F654 VanDerWaalsContact CA-O 3.31Å; T518-F654 WeakPolarHBondContact CA-O 3.23Å; T518-F654 VanDerWaalsContact O-O 3.06Å; R520-F654 HydrophobicContact CB-CD2 3.86Å; R520-F654 HydrophobicContact CB-CE2 3.7Å; R520-F654 HydrophobicContact CB-CZ 4.23Å; R520-F654 HydrophobicContact CG-CE2 4.11Å; R520-F654 HydrophobicContact CG-CZ 4.35Å; P521-F654 HydrophobicContact CG-CE1 4.45Å; T531-F654 HydrophobicContact CG2-CD1 4.06Å; T531-F654 HydrophobicContact CG2-CE1 4.4Å; T531-F654 HydrophobicContact CG2-CG 4.44Å
655	E	97.1	Very high	98.5	Very high	10 Å²	10	17.4 Å²	17.4	5%	0.047	9%	0.091	C	C	.	.			trans	-146	153.6	-176	70.4	-166.3	140.7	0	0	112.1	Q515 V517 N553 G557 G558 S653 A657	Q515-E655 PolarHBondContact NE2-O 3.15Å; V517-E655 PolarHBondContact O-N 3.43Å; N553-E655 WeakPolarHBondContact CB-OE2 3.21Å; N553-E655 PolarHBondContact ND2-OE2 2.89Å; G557-E655 WeakPolarHBondContact CA-OE2 3.23Å; G558-E655 PolarHBondContact N-OE1 3.23Å; S653-E655 PolarHBondContact N-OE1 2.89Å; S653-E655 PolarHBondContact O-N 3.09Å; S653-E655 VanDerWaalsContact OG-CD 3.25Å; S653-E655 PolarHBondContact OG-OE1 2.89Å; E655-A657 PolarHBondContact O-N 2.9Å
656	L	97.9	Very high	98.4	Very high	43 Å²	43	18 Å²	18	23%	0.225	10%	0.096	C	C	.	.			trans	-70.7	129.3	-178	-55.6	172.6	0	0	0	110.6	Q515 V516 T518 E552	Q515-L656 WeakPolarHBondContact O-CA 3.34Å; Q515-L656 WeakPolarHBondContact O-CD2 3.44Å; V516-L656 WeakPolarHBondContact O-CD2 3.26Å; T518-L656 HydrophobicContact CG2-CD1 4.04Å; T518-L656 HydrophobicContact CG2-CD2 3.55Å; T518-L656 HydrophobicContact CG2-CG 3.63Å; E552-L656 HydrophobicContact CB-CB 4.14Å; E552-L656 WeakPolarHBondContact CB-O 3.21Å; E552-L656 HydrophobicContact CG-CB 4.35Å; E552-L656 PolarHBondContact N-O 3.03Å
657	A	98.3	Very high	98.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	150.9	172.2	0	0	0	0	0	109.9	R514 Q515 F550 V559 T651 E655 F659	R514-A657 CarbonylContact C-O 3.6Å; R514-A657 VanDerWaalsContact CA-O 3.32Å; R514-A657 WeakPolarHBondContact CA-O 3.47Å; R514-A657 WeakPolarHBondContact CG-O 3.39Å; Q515-A657 PolarHBondContact N-O 2.86Å; F550-A657 VanDerWaalsContact O-CA 3.3Å; F550-A657 WeakPolarHBondContact O-CA 3.23Å; F550-A657 WeakPolarHBondContact O-CB 3.2Å; V559-A657 HydrophobicContact CG1-CB 3.58Å; T651-A657 HydrophobicContact CG2-CB 3.51Å; E655-A657 PolarHBondContact O-N 2.9Å; A657-F659 HydrophobicContact CB-CE2 4.23Å; A657-F659 HydrophobicContact CB-CZ 4.43Å
658	Q	98.4	Very high	98.1	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.028	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.3	177.6	-60.9	169.3	53	0	0	111.1	Y500 T512 L513 R514 V549 F550 E552 W612	Y500-Q658 HydrophobicContact CD1-CG 4.41Å; T512-Q658 PolarHBondContact OG1-OE1 3.08Å; L513-Q658 CarbonylContact O-C 3.55Å; L513-Q658 WeakPolarHBondContact O-CA 3.49Å; R514-Q658 HydrophobicContact CB-CG 4.01Å; R514-Q658 HydrophobicContact CG-CG 3.7Å; V549-Q658 WeakPolarHBondContact CA-O 3.37Å; F550-Q658 HydrophobicContact CB-CB 4.09Å; F550-Q658 PolarHBondContact N-O 3.05Å; F550-Q658 PolarHBondContact O-N 2.71Å; E552-Q658 PolarHBondContact OE1-NE2 2.83Å; W612-Q658 HydrophobicContact CH2-CB 3.67Å; W612-Q658 HydrophobicContact CZ2-CB 4.06Å
659	F	98.8	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.5	-178.4	-58	-91.4	0	0	0	108.8	F477 F497 T512 L513 D548 V549 V559 I649 G650 T651 A657	F477-F659 WeakPolarHBondContact CD2-O 3.29Å; F497-F659 HydrophobicContact CD1-CD2 4.4Å; F497-F659 HydrophobicContact CD1-CE2 4.21Å; F497-F659 HydrophobicContact CE1-CD2 4.34Å; F497-F659 AromaticContact CE1-CE2 3.74Å; F497-F659 HydrophobicContact CE1-CE2 3.74Å; F497-F659 HydrophobicContact CE1-CZ 4.32Å; T512-F659 WeakPolarHBondContact CB-O 3.22Å; L513-F659 HydrophobicContact CB-CB 4.45Å; L513-F659 PolarHBondContact N-O 2.92Å; L513-F659 PolarHBondContact O-N 3.05Å; D548-F659 CarbonylContact O-C 3.57Å; D548-F659 VanDerWaalsContact O-CA 3.28Å; D548-F659 WeakPolarHBondContact O-CA 3.49Å; V549-F659 HydrophobicContact CG1-CD1 3.92Å; V549-F659 HydrophobicContact CG1-CE1 4.15Å; V559-F659 HydrophobicContact CB-CE1 4.45Å; V559-F659 HydrophobicContact CG1-CZ 4.27Å; I649-F659 HydrophobicContact CB-CD1 3.91Å; I649-F659 HydrophobicContact CB-CE1 3.85Å; I649-F659 HydrophobicContact CD1-CB 3.93Å; I649-F659 HydrophobicContact CD1-CD1 3.91Å; I649-F659 HydrophobicContact CD1-CD2 4.25Å; I649-F659 HydrophobicContact CD1-CG 3.76Å; I649-F659 HydrophobicContact CG1-CD1 4.3Å; I649-F659 HydrophobicContact CG1-CE1 4.45Å; I649-F659 HydrophobicContact CG2-CD1 4.34Å; G650-F659 WeakPolarHBondContact O-CZ 3.49Å; T651-F659 HydrophobicContact CG2-CE2 4.36Å; T651-F659 HydrophobicContact CG2-CZ 4.16Å; A657-F659 HydrophobicContact CB-CE2 4.23Å; A657-F659 HydrophobicContact CB-CZ 4.43Å
660	D	98.6	Very high	98	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.2	179.5	-162.4	11.7	0	0	0	112.5	N476 H509 T512 C547 D548 W612 F662	N476-D660 VanDerWaalsContact O-OD1 3.05Å; H509-D660 IonicContact CE1-OD2 3.97Å; H509-D660 IonicContact CG-OD2 2.8Å; H509-D660 IonicContact ND1-OD2 3.79Å; H509-D660 PolarHBondContact ND1-OD2 2.97Å; T512-D660 HydrophobicContact CG2-CB 4.18Å; C547-D660 PolarHBondContact SG-O 3.29Å; C547-D660 VanDerWaalsContact SG-O 3.38Å; D548-D660 HydrophobicContact CB-CB 4.18Å; D548-D660 WeakPolarHBondContact CB-O 3.33Å; D548-D660 PolarHBondContact N-O 3.37Å; D548-D660 PolarHBondContact O-N 3.41Å; W612-D660 HydrophobicContact CH2-CB 3.97Å; W612-D660 HydrophobicContact CZ3-CB 3.86Å; D660-F662 VanDerWaalsContact C-N 3.26Å; D660-F662 PolarHBondContact O-N 2.74Å; D660-F662 VanDerWaalsContact O-N 3.16Å
661	N	98.4	Very high	97.9	Very high	66 Å²	66	29.9 Å²	29.9	35%	0.353	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.4	42.9	175.6	-59	-61.7	0	0	0	113.5	D475 D548 N663	D475-N661 CarbonylContact O-C 3.6Å; D548-N661 WeakPolarHBondContact OD2-CB 3.22Å; D548-N661 PolarHBondContact OD2-ND2 2.78Å; N661-N663 PolarHBondContact O-N 2.88Å
662	F	98.9	Very high	97.8	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	134.2	177.7	178.8	-92.9	0	0	0	110.5	Y473 K474 D475 F477 F490 I535 V545 T546 C547 A647 I649 D660 V664	Y473-F662 HydrophobicContact CD1-CD1 4.18Å; Y473-F662 HydrophobicContact CD1-CE1 4.06Å; Y473-F662 HydrophobicContact CE1-CD1 4.36Å; Y473-F662 HydrophobicContact CE1-CE1 4.48Å; K474-F662 CarbonylContact C-O 3.53Å; K474-F662 VanDerWaalsContact CA-O 3.26Å; K474-F662 WeakPolarHBondContact CA-O 3.35Å; D475-F662 PolarHBondContact N-O 2.69Å; D475-F662 PolarHBondContact O-N 2.76Å; F477-F662 HydrophobicContact CE2-CB 4.18Å; F477-F662 HydrophobicContact CZ-CB 3.76Å; F490-F662 HydrophobicContact CE1-CD2 4.4Å; F490-F662 HydrophobicContact CE1-CE2 4.44Å; F490-F662 HydrophobicContact CE1-CG 4.48Å; F490-F662 HydrophobicContact CZ-CB 4.26Å; F490-F662 AromaticContact CZ-CD1 3.78Å; F490-F662 HydrophobicContact CZ-CD1 3.78Å; F490-F662 HydrophobicContact CZ-CD2 4.14Å; F490-F662 HydrophobicContact CZ-CE1 4.13Å; F490-F662 HydrophobicContact CZ-CE2 4.46Å; F490-F662 AromaticContact CZ-CG 3.79Å; F490-F662 HydrophobicContact CZ-CG 3.79Å; F490-F662 HydrophobicContact CZ-CZ 4.46Å; I535-F662 HydrophobicContact CD1-CE1 4.37Å; I535-F662 HydrophobicContact CG2-CE1 3.96Å; I535-F662 HydrophobicContact CG2-CE2 4.35Å; I535-F662 HydrophobicContact CG2-CZ 3.55Å; V545-F662 HydrophobicContact CG1-CE2 3.81Å; V545-F662 HydrophobicContact CG1-CZ 4.31Å; T546-F662 WeakPolarHBondContact O-CA 3.29Å; C547-F662 HydrophobicContact CB-CD2 4.39Å; A647-F662 HydrophobicContact CB-CZ 4.26Å; I649-F662 HydrophobicContact CG2-CD2 4.05Å; I649-F662 HydrophobicContact CG2-CE2 4.06Å; D660-F662 VanDerWaalsContact C-N 3.26Å; D660-F662 PolarHBondContact O-N 2.74Å; D660-F662 VanDerWaalsContact O-N 3.16Å; F662-V664 HydrophobicContact CE1-CB 4.22Å; F662-V664 HydrophobicContact CE1-CG1 3.93Å; F662-V664 HydrophobicContact CZ-CB 4.2Å; F662-V664 HydrophobicContact CZ-CG1 4.28Å
663	N	98.8	Very high	97.8	Very high	23 Å²	23	28.9 Å²	28.9	12%	0.123	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	137.2	174.8	158.7	74	0	0	0	111	Y473 K474 T546 N661	Y473-N663 WeakPolarHBondContact O-CA 3.45Å; K474-N663 HydrophobicContact CD-CB 4.42Å; K474-N663 WeakPolarHBondContact CE-OD1 3.27Å; K474-N663 HydrophobicContact CG-CB 3.96Å; K474-N663 WeakPolarHBondContact CG-OD1 3.5Å; T546-N663 PolarHBondContact N-O 2.93Å; T546-N663 PolarHBondContact O-N 2.91Å; T546-N663 VanDerWaalsContact OG1-CB 3.29Å; T546-N663 WeakPolarHBondContact OG1-CB 3.34Å; T546-N663 PolarHBondContact OG1-ND2 2.84Å; T546-N663 PolarHBondContact OG1-O 3Å; N661-N663 PolarHBondContact O-N 2.88Å
664	V	98.8	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.7	173.3	61.3	0	0	0	0	110.7	A472 Y473 W540 M543 M544 V545 A647 F662	A472-V664 WeakPolarHBondContact CA-O 3.46Å; Y473-V664 PolarHBondContact N-O 2.85Å; Y473-V664 PolarHBondContact O-N 2.76Å; W540-V664 HydrophobicContact CE3-CG2 4.35Å; W540-V664 HydrophobicContact CH2-CG1 3.93Å; W540-V664 HydrophobicContact CH2-CG2 4.38Å; W540-V664 HydrophobicContact CZ3-CG1 4Å; W540-V664 HydrophobicContact CZ3-CG2 3.84Å; M543-V664 HydrophobicContact CB-CG2 4.43Å; M544-V664 CarbonylContact O-C 3.53Å; M544-V664 VanDerWaalsContact O-CA 3.28Å; M544-V664 WeakPolarHBondContact O-CA 3.09Å; V545-V664 HydrophobicContact CG2-CG2 4.06Å; A647-V664 HydrophobicContact CB-CG2 4.25Å; F662-V664 HydrophobicContact CE1-CB 4.22Å; F662-V664 HydrophobicContact CE1-CG1 3.93Å; F662-V664 HydrophobicContact CZ-CB 4.2Å; F662-V664 HydrophobicContact CZ-CG1 4.28Å
665	L	98.6	Very high	97.9	Very high	82 Å²	82	28.9 Å²	28.9	43%	0.429	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	112.3	173.5	-63.3	175.6	0	0	0	109	K471 A472 M543 M544	K471-L665 CarbonylContact O-C 3.56Å; K471-L665 WeakPolarHBondContact O-CA 3.46Å; A472-L665 HydrophobicContact CB-CD2 3.55Å; M543-L665 CarbonylContact C-O 3.51Å; M543-L665 WeakPolarHBondContact CA-O 3.38Å; M544-L665 PolarHBondContact N-O 2.87Å; M544-L665 PolarHBondContact O-N 3.12Å
666	A	97.3	Very high	97.9	Very high	13 Å²	13	30.5 Å²	30.5	11%	0.107	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	153.9	178.6	0	0	0	0	0	112.3	K471 W540 N542 M543	K471-A666 PolarHBondContact O-N 2.9Å; W540-A666 HydrophobicContact CB-CB 4.22Å; W540-A666 VanDerWaalsContact CD1-CB 3.47Å; W540-A666 HydrophobicContact CD2-CB 3.5Å; W540-A666 VanDerWaalsContact CD2-CB 3.5Å; W540-A666 VanDerWaalsContact CE2-CB 3.5Å; W540-A666 HydrophobicContact CE3-CB 4.19Å; W540-A666 HydrophobicContact CG-CB 3.5Å; W540-A666 VanDerWaalsContact CG-CB 3.5Å; W540-A666 HydrophobicContact CZ2-CB 4.18Å; N542-A666 WeakPolarHBondContact O-CA 3.47Å; M543-A666 HydrophobicContact CB-CB 4.21Å
667	E	92.3	Very high	97.9	Very high	130 Å²	130	29.4 Å²	29.4	61%	0.607	15%	0.151	S	C	*	.			trans	-89.2	0	179.7	-64.4	-175.4	170.6	0	0	114.4	K471 N542 K620	K471-E667 WeakPolarHBondContact CE-OXT 3.39Å; K471-E667 PolarHBondContact NZ-OXT 2.98Å; N542-E667 HydrophobicContact CB-CB 4.05Å; N542-E667 HydrophobicContact CB-CG 3.92Å; N542-E667 WeakPolarHBondContact CB-OE2 3.44Å; N542-E667 PolarHBondContact ND2-OE2 2.91Å; N542-E667 PolarHBondContact O-N 3.04Å; K620-E667 IonicContact NZ-OE1 2.74Å; K620-E667 PolarHBondContact NZ-OE1 3.17Å; K620-E667 IonicContact NZ-OE2 3.94Å

Retrieved 667 of 667 residues in 818.2 ms (Link to these results)

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