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Carotenoid-cleaving dioxygenase, mitochondrial

Broad specificity mitochondrial dioxygenase that mediates the asymmetric oxidative cleavage of carotenoids^1,2. Cleaves carotenes (pure hydrocarbon carotenoids) such as all-trans-beta-carotene and lycopene as well as xanthophylls (oxygenated carotenoids) such as zeaxanthin, lutein and beta-cryptoxanthin at both the 9,10 and the 9',10' carbon-carbon double bond^3,4. Through its function in carotenoids metabolism regulates oxidative stress and the production of important signaling molecules⁵.

AlphaFold DB , UniProt , Accession Q99NF1, Species MOUSE (Mus musculus, Mouse), Gene Bco2, Length 532 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	68.4	Low	246 Å²	246	104.5 Å²	104.5	100%	1.212	58%	0.583	S	S	*	*				0	101.4	0	-77.3	-169.1	-90.5	0	0	107
2	L	39.5	Very low	70.6	Confident	180 Å²	180	97.3 Å²	97.3	94%	0.942	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-69	127.3	167.6	-74.4	152.6	0	0	0	106.3
3	G	38.9	Very low	72.5	Confident	60 Å²	60	94.4 Å²	94.4	62%	0.619	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-57.8	165.6	175.8	0	0	0	0	0	111.5	K5	G3-K5 PolarHBondContact O-N 3.16Å; G3-K5 VanDerWaalsContact O-N 3.16Å
4	P	52.8	Low	74.1	Confident	134 Å²	134	87.9 Å²	87.9	87%	0.87	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-53.4	125.3	174.7	21.7	-30.2	0	0	0	109.5	Q6	P4-Q6 PolarHBondContact O-N 3.12Å; P4-Q6 VanDerWaalsContact O-N 3.12Å
5	K	64.8	Low	75.6	Confident	170 Å²	170	82 Å²	82	74%	0.739	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-57.4	116.9	176.1	-167.8	179.7	179.4	-174.4	0	106.8	G3 S7 E354	G3-K5 PolarHBondContact O-N 3.16Å; G3-K5 VanDerWaalsContact O-N 3.16Å; K5-S7 PolarHBondContact O-N 2.66Å; K5-E354 IonicContact NZ-OE1 2.65Å; K5-E354 PolarHBondContact NZ-OE1 2.87Å
6	Q	77.3	Confident	76.8	Confident	175 Å²	175	81.1 Å²	81.1	82%	0.818	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-63.7	129.8	176.9	-173.5	172.8	-1.7	0	0	108.1	P4	P4-Q6 PolarHBondContact O-N 3.12Å; P4-Q6 VanDerWaalsContact O-N 3.12Å
7	S	83.3	Confident	78	Confident	54 Å²	54	78.4 Å²	78.4	38%	0.378	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-61.7	150.6	176.8	59.5	0	0	0	0	110.7	K5 D350	K5-S7 PolarHBondContact O-N 2.66Å; S7-D350 WeakPolarHBondContact CA-OD2 3.43Å; S7-D350 VanDerWaalsContact CB-OD2 3.25Å; S7-D350 WeakPolarHBondContact CB-OD2 3.25Å
8	L	86.5	Confident	79	Confident	26 Å²	26	74.5 Å²	74.5	14%	0.136	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-57.3	133.4	175	-64.8	172.7	0	0	0	110.4	L349 D350 Y353 R440 H441	L8-L349 HydrophobicContact CB-CD2 3.99Å; L8-L349 HydrophobicContact CB-CG 4.34Å; L8-L349 HydrophobicContact CD1-CG 4.39Å; L8-D350 WeakPolarHBondContact CB-OD1 3.34Å; L8-D350 VanDerWaalsContact CG-OD1 3.27Å; L8-D350 WeakPolarHBondContact CG-OD1 3.47Å; L8-D350 PolarHBondContact N-OD1 2.92Å; L8-Y353 VanDerWaalsContact CD1-CB 3.47Å; L8-Y353 HydrophobicContact CD1-CD1 4.17Å; L8-Y353 HydrophobicContact CD1-CD2 4.17Å; L8-Y353 HydrophobicContact CD1-CG 3.67Å; L8-R440 WeakPolarHBondContact CD2-O 3.12Å; L8-H441 VanDerWaalsContact CD2-CD2 3.46Å; L8-H441 WeakPolarHBondContact CD2-CD2 2.98Å; L8-H441 WeakPolarHBondContact CD2-NE2 3.39Å
9	P	90.3	Very high	79.9	Confident	52 Å²	52	78.7 Å²	78.7	34%	0.338	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-54.7	148.3	170.1	-25.3	35.1	0	0	0	112.3	I11 L349 H441	P9-I11 PolarHBondContact O-N 3.1Å; P9-L349 WeakPolarHBondContact O-CD2 3.41Å; P9-H441 WeakPolarHBondContact CD-NE2 3.45Å
10	C	92	Very high	80.7	Confident	53 Å²	53	77.9 Å²	77.9	36%	0.358	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-68.7	117.7	178.9	-177.2	0	0	0	0	111.1	A12 A345	C10-A12 VanDerWaalsContact SG-CB 3.56Å; C10-A345 HydrophobicContact CB-CB 4.18Å
11	I	93.7	Very high	81.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	42%	0.419	C	S	.	.			trans	-93.5	-2.9	176.2	67.2	177.2	0	0	0	113.2	P9 P13 L14 L342 L349 H441 L442 V443 Y466	P9-I11 PolarHBondContact O-N 3.1Å; I11-P13 VanDerWaalsContact C-N 3.3Å; I11-L14 HydrophobicContact CB-CD1 4.18Å; I11-L14 HydrophobicContact CG2-CD1 4.42Å; I11-L14 VanDerWaalsContact O-CB 3.3Å; I11-L14 WeakPolarHBondContact O-CB 3.34Å; I11-L14 PolarHBondContact O-N 3.04Å; I11-L342 VanDerWaalsContact CG1-O 3.29Å; I11-L342 WeakPolarHBondContact CG1-O 3.43Å; I11-L349 HydrophobicContact CD1-CD1 4.47Å; I11-L349 HydrophobicContact CG1-CD2 4.44Å; I11-H441 VanDerWaalsContact CD1-O 3.3Å; I11-H441 WeakPolarHBondContact CD1-O 3.47Å; I11-H441 HydrophobicContact CG2-CB 4.28Å; I11-L442 HydrophobicContact CD1-CB 4.29Å; I11-V443 HydrophobicContact CD1-CG1 4.32Å; I11-V443 HydrophobicContact CD1-CG2 4.42Å; I11-V443 HydrophobicContact CG2-CG2 4.28Å; I11-Y466 HydrophobicContact CG2-CE1 3.82Å
12	A	95	Very high	84.4	Confident	18 Å²	18	68.2 Å²	68.2	15%	0.149	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-51.4	-40	-176.5	0	0	0	0	0	114.2	C10 L14 L15 R343	C10-A12 VanDerWaalsContact SG-CB 3.56Å; A12-L14 PolarHBondContact O-N 3.38Å; A12-L15 CarbonylContact O-C 3.34Å; A12-L15 PolarHBondContact O-N 2.69Å; A12-R343 HydrophobicContact CB-CB 3.93Å; A12-R343 HydrophobicContact CB-CG 4.02Å
13	P	94.8	Very high	87	Confident	59 Å²	59	64.2 Å²	64.2	38%	0.383	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-64.3	-21.5	177.6	-22.7	35.7	0	0	0	114.5	I11 L15 T16 P493	I11-P13 VanDerWaalsContact C-N 3.3Å; P13-L15 PolarHBondContact O-N 3.07Å; P13-T16 PolarHBondContact O-OG1 2.75Å; P13-P493 HydrophobicContact CB-CB 3.8Å; P13-P493 HydrophobicContact CG-CB 3.86Å
14	L	95.1	Very high	89.7	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.016	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-73.9	-13.5	175.3	-51.6	-178.5	0	0	0	112.2	I11 A12 V443 Y466 I491 P493 P522 Y523	I11-L14 HydrophobicContact CB-CD1 4.18Å; I11-L14 HydrophobicContact CG2-CD1 4.42Å; I11-L14 VanDerWaalsContact O-CB 3.3Å; I11-L14 WeakPolarHBondContact O-CB 3.34Å; I11-L14 PolarHBondContact O-N 3.04Å; A12-L14 PolarHBondContact O-N 3.38Å; L14-V443 HydrophobicContact CD1-CG2 4.34Å; L14-Y466 HydrophobicContact CD1-CD1 3.92Å; L14-Y466 HydrophobicContact CD1-CD2 3.47Å; L14-Y466 VanDerWaalsContact CD1-CD2 3.47Å; L14-Y466 HydrophobicContact CD1-CE1 4.29Å; L14-Y466 HydrophobicContact CD1-CE2 3.92Å; L14-Y466 HydrophobicContact CD1-CG 3.46Å; L14-Y466 VanDerWaalsContact CD1-CG 3.46Å; L14-Y466 HydrophobicContact CD2-CD2 4.34Å; L14-Y466 HydrophobicContact CG-CD2 4.46Å; L14-I491 HydrophobicContact CB-CD1 4.19Å; L14-I491 HydrophobicContact CD1-CD1 4.5Å; L14-I491 HydrophobicContact CD2-CD1 3.78Å; L14-I491 HydrophobicContact CD2-CG1 3.9Å; L14-I491 HydrophobicContact CG-CD1 4.37Å; L14-P493 HydrophobicContact CD2-CB 4.13Å; L14-P522 CarbonylContact O-C 3.55Å; L14-P522 WeakPolarHBondContact O-CA 3.31Å; L14-Y523 PolarHBondContact O-N 3.19Å
15	L	95.6	Very high	91.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-120	37.4	-173.1	-57.6	170.2	0	0	0	110.6	A12 P13 W59 L339 L342 R343	A12-L15 CarbonylContact O-C 3.34Å; A12-L15 PolarHBondContact O-N 2.69Å; P13-L15 PolarHBondContact O-N 3.07Å; L15-W59 HydrophobicContact CD2-CD2 4.42Å; L15-W59 HydrophobicContact CD2-CG 4.29Å; L15-L339 HydrophobicContact CB-CD2 4.18Å; L15-L342 HydrophobicContact CD1-CB 3.33Å; L15-L342 HydrophobicContact CD1-CD1 3.77Å; L15-L342 HydrophobicContact CD1-CG 4.17Å; L15-R343 PolarHBondContact O-NE 3.09Å; L15-R343 PolarHBondContact O-NH2 2.87Å
16	T	95.1	Very high	93.3	Very high	68 Å²	68	56.5 Å²	56.5	42%	0.417	34%	0.336	S	S	.	.	S	Bend	trans	-117.5	160.5	176.4	54.6	0	0	0	0	111.7	P13 A18 F49	P13-T16 PolarHBondContact O-OG1 2.75Å; T16-A18 PolarHBondContact O-N 3.24Å; T16-F49 VanDerWaalsContact C-CD2 3.43Å; T16-F49 WeakPolarHBondContact O-CE2 3.45Å
17	T	97.1	Very high	94.3	Very high	35 Å²	35	48.9 Å²	48.9	22%	0.215	30%	0.304	C	S	.	.			trans	-60.1	133.4	177.9	-64.8	0	0	0	0	110.5	G47 K48 F49 E50	T17-G47 VanDerWaalsContact CA-O 3.28Å; T17-G47 WeakPolarHBondContact CA-O 3.23Å; T17-K48 HydrophobicContact CG2-CB 4.28Å; T17-K48 HydrophobicContact CG2-CG 4Å; T17-F49 PolarHBondContact OG1-N 2.87Å; T17-E50 WeakPolarHBondContact CB-OE1 3.41Å; T17-E50 PolarHBondContact OG1-OE1 2.94Å; T17-E50 PolarHBondContact OG1-OE2 2.95Å
18	A	95.7	Very high	95	Very high	8 Å²	8	54.1 Å²	54.1	7%	0.066	32%	0.315	C	S	.	.			trans	-112.2	154.2	172.8	0	0	0	0	0	110.5	T16 G47 L65 F82 P522	T16-A18 PolarHBondContact O-N 3.24Å; A18-G47 PolarHBondContact N-O 2.89Å; A18-L65 HydrophobicContact CB-CD2 4.39Å; A18-F82 WeakPolarHBondContact O-CZ 3.49Å; A18-P522 HydrophobicContact CB-CG 4.24Å
19	E	96	Very high	95.5	Very high	155 Å²	155	55.5 Å²	55.5	72%	0.724	33%	0.325	S	S	*	.			trans	-82	148.5	170.8	-64.8	-61	148.2	0	0	110.4
20	E	96.3	Very high	95.9	Very high	61 Å²	61	58.7 Å²	58.7	29%	0.285	33%	0.33	S	S	.	.			trans	-75.7	148.1	174.1	58.9	-179.4	-166.3	0	0	111.8	L22 L65 F82	E20-L22 HydrophobicContact CB-CD2 4.43Å; E20-L22 VanDerWaalsContact CD-CD2 3.49Å; E20-L22 HydrophobicContact CG-CD2 3.97Å; E20-L22 HydrophobicContact CG-CG 4.02Å; E20-L22 WeakPolarHBondContact OE1-CD2 3.47Å; E20-L65 HydrophobicContact CB-CD1 4.41Å; E20-F82 HydrophobicContact CB-CD2 4.12Å; E20-F82 HydrophobicContact CB-CE2 4.42Å; E20-F82 HydrophobicContact CG-CD2 4.38Å; E20-F82 PolarHBondContact OE2-N 3.34Å
21	T	97.1	Very high	96.1	Very high	22 Å²	22	59.5 Å²	59.5	14%	0.135	35%	0.347	C	S	.	.			trans	-111.1	85.1	177.1	-58.1	0	0	0	0	108.8	S23 V25 Y78 K79 S80 V519	T21-S23 WeakPolarHBondContact CG2-O 3.45Å; T21-V25 HydrophobicContact CG2-CG2 3.55Å; T21-Y78 HydrophobicContact CG2-CD1 4.13Å; T21-Y78 HydrophobicContact CG2-CE1 4.11Å; T21-K79 CarbonylContact O-C 3.46Å; T21-K79 VanDerWaalsContact O-CA 3.31Å; T21-K79 WeakPolarHBondContact O-CA 3.41Å; T21-K79 VanDerWaalsContact O-CB 3.23Å; T21-K79 WeakPolarHBondContact O-CB 3.39Å; T21-S80 CarbonylContact C-O 3.58Å; T21-S80 VanDerWaalsContact C-O 3.28Å; T21-S80 PolarHBondContact N-O 3.36Å; T21-S80 PolarHBondContact N-OG 2.91Å; T21-S80 PolarHBondContact O-N 3.27Å; T21-S80 VanDerWaalsContact O-O 3.09Å; T21-V519 HydrophobicContact CG2-CG1 4.31Å
22	L	95.8	Very high	96.3	Very high	100 Å²	100	64.5 Å²	64.5	52%	0.524	37%	0.37	S	S	.	.			trans	-71.4	-33.8	-171.1	-64.4	179.6	0	0	0	114.1	E20 K81	E20-L22 HydrophobicContact CB-CD2 4.43Å; E20-L22 VanDerWaalsContact CD-CD2 3.49Å; E20-L22 HydrophobicContact CG-CD2 3.97Å; E20-L22 HydrophobicContact CG-CG 4.02Å; E20-L22 WeakPolarHBondContact OE1-CD2 3.47Å; L22-K81 HydrophobicContact CD2-CB 4.32Å; L22-K81 HydrophobicContact CD2-CD 4.03Å; L22-K81 HydrophobicContact CD2-CG 3.94Å
23	S	94.3	Very high	96.4	Very high	96 Å²	96	63.9 Å²	63.9	67%	0.671	36%	0.364	S	S	*	.	S	Bend	trans	-91.8	137.5	176.5	-63.7	0	0	0	0	109.9	T21 V25	T21-S23 WeakPolarHBondContact CG2-O 3.45Å; S23-V25 PolarHBondContact O-N 3.43Å
24	A	94.9	Very high	96.5	Very high	65 Å²	65	61.4 Å²	61.4	54%	0.537	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61	120.3	178.5	0	0	0	0	0	110.8	Y78	A24-Y78 WeakPolarHBondContact CA-O 3.16Å
25	V	96.4	Very high	96.6	Very high	42 Å²	42	68.1 Å²	68.1	26%	0.255	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.1	175	177.9	0	0	0	0	108.2	T21 S23 A27 T77 Y78 P518	T21-V25 HydrophobicContact CG2-CG2 3.55Å; S23-V25 PolarHBondContact O-N 3.43Å; V25-A27 PolarHBondContact O-N 2.8Å; V25-T77 CarbonylContact O-C 3.47Å; V25-T77 VanDerWaalsContact O-CA 3.25Å; V25-T77 WeakPolarHBondContact O-CA 3.38Å; V25-Y78 PolarHBondContact N-O 2.86Å; V25-Y78 PolarHBondContact O-N 3.29Å; V25-P518 HydrophobicContact CG1-CG 4.28Å
26	S	97.1	Very high	96.7	Very high	94 Å²	94	72.3 Å²	72.3	66%	0.657	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	127	172.7	-63.8	0	0	0	0	109.8
27	A	97.9	Very high	96.8	Very high	16 Å²	16	69.1 Å²	69.1	13%	0.132	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-80.3	146.6	176.4	0	0	0	0	0	110.8	V25 V29 V76 A515 E516 V517	V25-A27 PolarHBondContact O-N 2.8Å; A27-V29 PolarHBondContact O-N 3.15Å; A27-V76 HydrophobicContact CB-CB 4.08Å; A27-V76 HydrophobicContact CB-CG1 4.28Å; A27-V76 WeakPolarHBondContact CB-O 3.4Å; A27-V76 PolarHBondContact N-O 2.76Å; A27-A515 HydrophobicContact CB-CB 3.73Å; A27-E516 CarbonylContact C-O 3.53Å; A27-E516 WeakPolarHBondContact CA-O 3.24Å; A27-E516 WeakPolarHBondContact CB-O 3.27Å; A27-V517 HydrophobicContact CB-CG1 3.56Å
28	R	97.9	Very high	96.9	Very high	163 Å²	163	70.1 Å²	70.1	62%	0.615	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	110.2	170.5	179.3	-174.9	179.2	-169.1	0.2	109	E516	R28-E516 HydrophobicContact CB-CB 4.31Å; R28-E516 PolarHBondContact N-O 3.43Å; R28-E516 PolarHBondContact O-N 2.97Å
29	V	98	Very high	97	Very high	56 Å²	56	69.8 Å²	69.8	34%	0.339	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.6	177.9	175.9	0	0	0	0	110.9	A27 I33 R514 A515	A27-V29 PolarHBondContact O-N 3.15Å; V29-I33 HydrophobicContact CG1-CG1 3.72Å; V29-I33 HydrophobicContact CG2-CG1 4.24Å; V29-R514 CarbonylContact C-O 3.52Å; V29-R514 WeakPolarHBondContact CA-O 3.3Å; V29-A515 HydrophobicContact CG2-CB 4.3Å
30	R	97.6	Very high	97.1	Very high	119 Å²	119	62.8 Å²	62.8	45%	0.449	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.1	165.3	-60.8	-169.5	-172.3	-179.7	14.5	109.2	G513 R514 E516	R30-G513 CarbonylContact O-C 3.57Å; R30-G513 WeakPolarHBondContact O-CA 3.29Å; R30-R514 HydrophobicContact CB-CG 4.18Å; R30-R514 PolarHBondContact N-O 2.89Å; R30-R514 PolarHBondContact O-N 3.2Å; R30-E516 WeakPolarHBondContact CD-OE1 3.03Å; R30-E516 VanDerWaalsContact CZ-CD 3.49Å; R30-E516 IonicContact CZ-OE1 3Å; R30-E516 IonicContact CZ-OE2 3.82Å; R30-E516 VanDerWaalsContact CZ-OE2 3.26Å; R30-E516 IonicContact NE-OE1 2.75Å; R30-E516 PolarHBondContact NE-OE1 3.26Å; R30-E516 IonicContact NE-OE2 3.98Å; R30-E516 PolarHBondContact NE-OE2 2.86Å; R30-E516 IonicContact NH1-OE1 3.55Å; R30-E516 VanDerWaalsContact NH2-CD 3.33Å; R30-E516 IonicContact NH2-OE1 3.18Å; R30-E516 PolarHBondContact NH2-OE1 2.97Å; R30-E516 IonicContact NH2-OE2 3.88Å; R30-E516 PolarHBondContact NH2-OE2 3.29Å
31	G	97.4	Very high	97.2	Very high	69 Å²	69	59.9 Å²	59.9	71%	0.711	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	72.1	-142.7	-173	0	0	0	0	0	111.7
32	H	96.2	Very high	97.2	Very high	106 Å²	106	58.9 Å²	58.9	49%	0.491	32%	0.324	S	S	.	.			trans	-125.3	122.3	-174.9	176.4	64.8	0	0	0	111.3	P34 L512	H32-P34 WeakPolarHBondContact NE2-CA 3.37Å; H32-L512 PolarHBondContact N-O 3.06Å; H32-L512 CarbonylContact O-C 3.58Å
33	I	98	Very high	97.4	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	30%	0.3	C	S	.	.			trans	-97.7	118.5	165.4	-50.4	-60	0	0	0	106.7	V29 E35 L37 V76 V503	V29-I33 HydrophobicContact CG1-CG1 3.72Å; V29-I33 HydrophobicContact CG2-CG1 4.24Å; I33-E35 PolarHBondContact O-N 3.05Å; I33-L37 HydrophobicContact CG2-CD2 4.13Å; I33-V76 HydrophobicContact CG1-CG2 4.4Å; I33-V76 HydrophobicContact CG2-CG2 4.42Å; I33-V503 HydrophobicContact CD1-CB 4.28Å; I33-V503 HydrophobicContact CD1-CG2 3.57Å
34	P	97.9	Very high	97.6	Very high	7 Å²	7	50 Å²	50	5%	0.045	27%	0.269	C	S	.	.			trans	-57.5	133.5	-176.1	-25.6	34	0	0	0	113	H32 W36 L37 V485 L512	H32-P34 WeakPolarHBondContact NE2-CA 3.37Å; P34-W36 HydrophobicContact CB-CD2 4.21Å; P34-W36 HydrophobicContact CB-CG 4.22Å; P34-W36 HydrophobicContact CB-CZ2 4.17Å; P34-W36 HydrophobicContact CG-CZ2 4.39Å; P34-W36 PolarHBondContact O-N 2.85Å; P34-L37 WeakPolarHBondContact O-CB 3.35Å; P34-L37 PolarHBondContact O-N 3.39Å; P34-V485 HydrophobicContact CG-CG1 4.22Å; P34-L512 HydrophobicContact CG-CD1 4.08Å
35	E	97.1	Very high	97.7	Very high	144 Å²	144	46.9 Å²	46.9	67%	0.673	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.4	-175.5	-66.1	-175.6	177.3	0	0	113.6	I33 L37	I33-E35 PolarHBondContact O-N 3.05Å; E35-L37 PolarHBondContact O-N 3.4Å
36	W	97.3	Very high	97.8	Very high	88 Å²	88	44.9 Å²	44.9	33%	0.333	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.3	174.8	62.2	-103.8	0	0	0	112.8	P34 N38 V473 P474 V475 P476 V485	P34-W36 HydrophobicContact CB-CD2 4.21Å; P34-W36 HydrophobicContact CB-CG 4.22Å; P34-W36 HydrophobicContact CB-CZ2 4.17Å; P34-W36 HydrophobicContact CG-CZ2 4.39Å; P34-W36 PolarHBondContact O-N 2.85Å; W36-N38 PolarHBondContact O-N 2.84Å; W36-V473 HydrophobicContact CZ3-CG1 3.97Å; W36-P474 WeakPolarHBondContact CZ3-O 3.24Å; W36-V475 HydrophobicContact CH2-CG2 4.19Å; W36-V475 HydrophobicContact CZ2-CB 4.44Å; W36-V475 HydrophobicContact CZ2-CG2 3.67Å; W36-P476 HydrophobicContact CB-CG 4.45Å; W36-P476 VanDerWaalsContact CE3-CD 3.5Å; W36-P476 HydrophobicContact CE3-CG 4.17Å; W36-V485 HydrophobicContact CH2-CB 4.46Å; W36-V485 HydrophobicContact CH2-CG1 4.06Å; W36-V485 HydrophobicContact CH2-CG2 3.82Å; W36-V485 HydrophobicContact CZ2-CG1 3.81Å; W36-V485 HydrophobicContact CZ2-CG2 4.4Å
37	L	97.4	Very high	97.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.2	C	C	.	.			trans	-74.9	91.7	176.7	-167.4	68.3	0	0	0	109	I33 P34 E35 M71 V473 V485 L487 F529	I33-L37 HydrophobicContact CG2-CD2 4.13Å; P34-L37 WeakPolarHBondContact O-CB 3.35Å; P34-L37 PolarHBondContact O-N 3.39Å; E35-L37 PolarHBondContact O-N 3.4Å; L37-M71 HydrophobicContact CD2-CB 4.41Å; L37-M71 HydrophobicContact CD2-CG 4.13Å; L37-M71 HydrophobicContact CD2-SD 3.41Å; L37-M71 WeakPolarHBondContact CD2-SD 3.25Å; L37-M71 HydrophobicContact CG-CB 4.28Å; L37-M71 HydrophobicContact CG-CG 4.49Å; L37-M71 HydrophobicContact CG-SD 3.88Å; L37-M71 WeakPolarHBondContact O-CB 3.37Å; L37-V473 HydrophobicContact CD1-CB 4.19Å; L37-V473 HydrophobicContact CD1-CG1 3.84Å; L37-V473 HydrophobicContact CD1-CG2 4.36Å; L37-V485 HydrophobicContact CD1-CG2 4.13Å; L37-L487 HydrophobicContact CD1-CD1 4.38Å; L37-L487 HydrophobicContact CD2-CD1 4.4Å; L37-L487 HydrophobicContact CD2-CD2 3.8Å; L37-F529 HydrophobicContact CD1-CE1 4.47Å; L37-F529 HydrophobicContact CD1-CE2 3.83Å; L37-F529 HydrophobicContact CD1-CZ 3.74Å; L37-F529 HydrophobicContact CG-CE2 4.28Å; L37-F529 HydrophobicContact CG-CZ 4.34Å
38	N	97.8	Very high	97.8	Very high	57 Å²	57	41.9 Å²	41.9	31%	0.305	20%	0.203	S	C	.	.			trans	-122.1	105.7	-176.2	-166.9	31.6	0	0	0	109.6	W36 M71 P531 I532	W36-N38 PolarHBondContact O-N 2.84Å; N38-M71 WeakPolarHBondContact CA-O 3.33Å; N38-P531 WeakPolarHBondContact O-CA 3.12Å; N38-I532 HydrophobicContact CB-CG1 4.4Å; N38-I532 VanDerWaalsContact CG-CG1 3.48Å; N38-I532 PolarHBondContact ND2-O 3.39Å; N38-I532 PolarHBondContact O-N 3.25Å; N38-I532 VanDerWaalsContact O-N 3.13Å; N38-I532 WeakPolarHBondContact OD1-CD1 3.47Å; N38-I532 VanDerWaalsContact OD1-CG1 3.32Å; N38-I532 WeakPolarHBondContact OD1-CG1 3.37Å
39	G	98.1	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.8	-167.3	-175.8	0	0	0	0	0	115.5	R70 M71 V530	G39-R70 WeakPolarHBondContact O-CA 3.3Å; G39-M71 PolarHBondContact N-O 3.49Å; G39-M71 PolarHBondContact O-N 3.23Å; G39-V530 CarbonylContact C-O 3.58Å; G39-V530 WeakPolarHBondContact CA-O 3.15Å
40	Y	98.3	Very high	97.7	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.7	175.3	-56.4	-69.5	0	0	0	110.5	Q68 F69 R70 I156 E157 F529 V530 I532	Y40-Q68 VanDerWaalsContact CD1-CD 3.48Å; Y40-Q68 HydrophobicContact CD1-CG 3.63Å; Y40-Q68 HydrophobicContact CE1-CG 4.36Å; Y40-Q68 HydrophobicContact CG-CG 4.29Å; Y40-F69 CarbonylContact C-O 3.39Å; Y40-F69 WeakPolarHBondContact CA-O 3.29Å; Y40-R70 HydrophobicContact CD1-CB 3.75Å; Y40-R70 HydrophobicContact CD1-CG 3.98Å; Y40-R70 HydrophobicContact CE1-CB 3.75Å; Y40-R70 HydrophobicContact CE1-CG 3.63Å; Y40-I156 HydrophobicContact CD2-CD1 4.35Å; Y40-E157 HydrophobicContact CE2-CG 4.25Å; Y40-F529 CarbonylContact O-C 3.53Å; Y40-F529 WeakPolarHBondContact O-CA 3.36Å; Y40-V530 PolarHBondContact N-O 3.17Å; Y40-V530 PolarHBondContact O-N 3.48Å; Y40-I532 HydrophobicContact CD2-CG2 3.71Å; Y40-I532 HydrophobicContact CE2-CG2 3.37Å
41	L	98.6	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114	155.9	176.1	70.2	0	0	0	107.5	R43 Q68 F69 M71 V471 L487 V489 L501	L41-R43 HydrophobicContact CD1-CG 4.47Å; L41-R43 HydrophobicContact CD2-CG 4.37Å; L41-R43 HydrophobicContact CG-CG 4.14Å; L41-Q68 WeakPolarHBondContact O-CA 3.35Å; L41-F69 HydrophobicContact CB-CB 4.28Å; L41-F69 PolarHBondContact N-O 3.43Å; L41-F69 PolarHBondContact O-N 3.25Å; L41-M71 HydrophobicContact CB-CE 3.75Å; L41-M71 VanDerWaalsContact N-CE 3.29Å; L41-V471 HydrophobicContact CD1-CB 4.02Å; L41-V471 HydrophobicContact CD1-CG1 4.29Å; L41-V471 HydrophobicContact CD1-CG2 3.84Å; L41-L487 HydrophobicContact CB-CD1 4.37Å; L41-L487 HydrophobicContact CD1-CB 4.43Å; L41-L487 HydrophobicContact CD1-CD1 4.49Å; L41-L487 HydrophobicContact CD2-CB 4.16Å; L41-V489 HydrophobicContact CD2-CG2 3.96Å; L41-L501 HydrophobicContact CD2-CD1 3.47Å; L41-L501 VanDerWaalsContact CD2-CD1 3.47Å
42	L	98.4	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.7	177.6	-59.1	175.9	0	0	0	109	H67 Q68 F135 I156 L159 G527 T528 V530	L42-H67 WeakPolarHBondContact CA-O 3.43Å; L42-Q68 HydrophobicContact CD2-CB 4Å; L42-Q68 HydrophobicContact CD2-CG 3.86Å; L42-F135 HydrophobicContact CB-CD1 4.28Å; L42-F135 HydrophobicContact CB-CD2 4Å; L42-F135 HydrophobicContact CB-CE1 4.11Å; L42-F135 HydrophobicContact CB-CE2 3.83Å; L42-F135 HydrophobicContact CB-CG 4.23Å; L42-F135 HydrophobicContact CB-CZ 3.88Å; L42-F135 HydrophobicContact CD1-CD1 4.01Å; L42-F135 HydrophobicContact CD1-CE1 3.94Å; L42-F135 HydrophobicContact CD1-CZ 4.5Å; L42-F135 HydrophobicContact CG-CE1 4.47Å; L42-I156 HydrophobicContact CD1-CB 3.81Å; L42-I156 HydrophobicContact CD1-CD1 4.4Å; L42-I156 HydrophobicContact CD1-CG2 3.63Å; L42-L159 HydrophobicContact CD2-CD2 4.29Å; L42-G527 CarbonylContact O-C 3.49Å; L42-G527 WeakPolarHBondContact O-CA 3.48Å; L42-T528 HydrophobicContact CB-CG2 4.36Å; L42-T528 PolarHBondContact N-O 3.23Å; L42-T528 PolarHBondContact O-N 3.05Å; L42-V530 HydrophobicContact CD1-CG2 3.78Å
43	R	98.2	Very high	97.4	Very high	8 Å²	8	32.8 Å²	32.8	3%	0.03	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.1	-178.7	-69.7	-76.6	-50.3	153	10.5	109.7	L41 H67 E469 V489 F525 H526	L41-R43 HydrophobicContact CD1-CG 4.47Å; L41-R43 HydrophobicContact CD2-CG 4.37Å; L41-R43 HydrophobicContact CG-CG 4.14Å; R43-H67 HydrophobicContact CB-CB 4.11Å; R43-H67 PolarHBondContact N-O 2.92Å; R43-H67 PolarHBondContact O-N 2.95Å; R43-E469 IonicContact NH1-OE2 2.76Å; R43-E469 PolarHBondContact NH1-OE2 3.13Å; R43-V489 HydrophobicContact CG-CG2 4.14Å; R43-F525 PolarHBondContact NH1-O 3.38Å; R43-F525 PolarHBondContact NH2-O 3.01Å; R43-H526 VanDerWaalsContact CZ-C 3.47Å; R43-H526 PolarHBondContact NH1-O 2.89Å
44	V	98.2	Very high	97.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.7	174.3	64.8	0	0	0	0	111.3	A64 L65 L66 V133 F135 M144 F525 H526	V44-A64 HydrophobicContact CG2-CB 4.23Å; V44-L65 WeakPolarHBondContact CA-O 3.29Å; V44-L66 HydrophobicContact CG2-CD1 4.29Å; V44-V133 VanDerWaalsContact CG1-C 3.42Å; V44-V133 VanDerWaalsContact CG1-O 3.31Å; V44-V133 WeakPolarHBondContact CG1-O 3.43Å; V44-F135 HydrophobicContact CB-CD2 4.36Å; V44-F135 HydrophobicContact CB-CE2 4Å; V44-F135 HydrophobicContact CG1-CD2 4.27Å; V44-F135 HydrophobicContact CG1-CE2 4.4Å; V44-M144 HydrophobicContact CB-CE 3.48Å; V44-M144 VanDerWaalsContact CB-CE 3.48Å; V44-M144 HydrophobicContact CG1-CE 3.63Å; V44-M144 HydrophobicContact CG2-CE 3.47Å; V44-M144 VanDerWaalsContact CG2-CE 3.47Å; V44-F525 PolarHBondContact O-N 2.89Å; V44-H526 PolarHBondContact N-O 3.47Å
45	G	97.7	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	-178	172.4	0	0	0	0	0	112.6	G47 A64 L65	G45-G47 PolarHBondContact O-N 2.87Å; G45-A64 WeakPolarHBondContact O-CA 3.33Å; G45-L65 PolarHBondContact N-O 3.41Å; G45-L65 PolarHBondContact O-N 2.95Å
46	P	97.9	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	120.6	174.4	29.7	-27.1	0	0	0	109.6	F49 W59 P522 F525	P46-F49 HydrophobicContact CB-CE1 3.83Å; P46-F49 HydrophobicContact CB-CZ 3.75Å; P46-F49 HydrophobicContact CG-CE1 4.18Å; P46-F49 HydrophobicContact CG-CZ 3.92Å; P46-F49 WeakPolarHBondContact O-CZ 3.5Å; P46-W59 WeakPolarHBondContact CG-O 3.42Å; P46-P522 WeakPolarHBondContact O-CB 3.46Å; P46-P522 WeakPolarHBondContact O-CG 3.5Å; P46-F525 VanDerWaalsContact CD-CE2 3.48Å; P46-F525 HydrophobicContact CG-CE2 3.96Å; P46-F525 HydrophobicContact CG-CZ 3.85Å
47	G	97.7	Very high	97.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-5.8	-179.1	0	0	0	0	0	116.4	T17 A18 G45 M63 F82	T17-G47 VanDerWaalsContact CA-O 3.28Å; T17-G47 WeakPolarHBondContact CA-O 3.23Å; A18-G47 PolarHBondContact N-O 2.89Å; G45-G47 PolarHBondContact O-N 2.87Å; G47-M63 PolarHBondContact N-O 3.42Å; G47-F82 WeakPolarHBondContact O-CZ 3.43Å
48	K	98	Very high	97.1	Very high	47 Å²	47	34.6 Å²	34.6	20%	0.204	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.2	172.3	-172.3	174.9	-172.1	68.3	0	110.3	T17 E50 F51 G62 M63 F82 Y88	T17-K48 HydrophobicContact CG2-CB 4.28Å; T17-K48 HydrophobicContact CG2-CG 4Å; K48-E50 VanDerWaalsContact CE-O 3.27Å; K48-E50 WeakPolarHBondContact CE-O 3.45Å; K48-F51 HydrophobicContact CD-CD1 4.49Å; K48-F51 HydrophobicContact CD-CE1 3.84Å; K48-F51 HydrophobicContact CD-CE2 4.32Å; K48-F51 HydrophobicContact CD-CZ 3.76Å; K48-G62 CarbonylContact O-C 3.56Å; K48-G62 VanDerWaalsContact O-CA 3.25Å; K48-G62 WeakPolarHBondContact O-CA 3.28Å; K48-M63 HydrophobicContact CB-CB 4.09Å; K48-M63 HydrophobicContact CB-CG 4.24Å; K48-M63 PolarHBondContact O-N 3.43Å; K48-F82 HydrophobicContact CB-CE1 3.63Å; K48-F82 HydrophobicContact CB-CZ 3.82Å; K48-Y88 HydrophobicContact CD-CE2 3.93Å
49	F	97.4	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.			trans	-110	0.7	-170.7	-65.3	-83.2	0	0	0	114.4	T16 T17 P46 Y56 L339 P522	T16-F49 VanDerWaalsContact C-CD2 3.43Å; T16-F49 WeakPolarHBondContact O-CE2 3.45Å; T17-F49 PolarHBondContact OG1-N 2.87Å; P46-F49 HydrophobicContact CB-CE1 3.83Å; P46-F49 HydrophobicContact CB-CZ 3.75Å; P46-F49 HydrophobicContact CG-CE1 4.18Å; P46-F49 HydrophobicContact CG-CZ 3.92Å; P46-F49 WeakPolarHBondContact O-CZ 3.5Å; F49-Y56 PolarHBondContact O-N 2.89Å; F49-L339 HydrophobicContact CD1-CD1 3.66Å; F49-L339 HydrophobicContact CD1-CD2 4.09Å; F49-L339 HydrophobicContact CE1-CD1 4.22Å; F49-L339 HydrophobicContact CE1-CD2 3.95Å; F49-P522 HydrophobicContact CE2-CB 4.5Å
50	E	97.4	Very high	96.9	Very high	51 Å²	51	34.7 Å²	34.7	24%	0.238	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.6	179.9	63.6	-76.6	159.3	0	0	113.1	T17 K48 D54 R55	T17-E50 WeakPolarHBondContact CB-OE1 3.41Å; T17-E50 PolarHBondContact OG1-OE1 2.94Å; T17-E50 PolarHBondContact OG1-OE2 2.95Å; K48-E50 VanDerWaalsContact CE-O 3.27Å; K48-E50 WeakPolarHBondContact CE-O 3.45Å; E50-D54 VanDerWaalsContact CA-O 3.27Å; E50-D54 WeakPolarHBondContact CA-O 3.28Å; E50-D54 VanDerWaalsContact CB-O 3.3Å; E50-D54 WeakPolarHBondContact CB-O 2.97Å; E50-R55 HydrophobicContact CB-CG 4.04Å
51	F	96.7	Very high	96.8	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	112.6	169	-72.5	-86	0	0	0	108.7	K48 K53 D54 Y56 M63 Y88 N91 S92 G95 R96 I97	K48-F51 HydrophobicContact CD-CD1 4.49Å; K48-F51 HydrophobicContact CD-CE1 3.84Å; K48-F51 HydrophobicContact CD-CE2 4.32Å; K48-F51 HydrophobicContact CD-CZ 3.76Å; F51-K53 PolarHBondContact O-N 2.86Å; F51-D54 PolarHBondContact N-O 2.82Å; F51-D54 PolarHBondContact O-N 2.84Å; F51-Y56 HydrophobicContact CD2-CE2 4.09Å; F51-Y56 AromaticContact CE2-CE2 3.91Å; F51-Y56 HydrophobicContact CE2-CE2 3.91Å; F51-M63 HydrophobicContact CE2-CG 3.59Å; F51-M63 HydrophobicContact CE2-SD 3.87Å; F51-M63 HydrophobicContact CZ-CG 3.68Å; F51-M63 HydrophobicContact CZ-SD 4.04Å; F51-Y88 HydrophobicContact CZ-CD2 4.16Å; F51-Y88 HydrophobicContact CZ-CE2 4.32Å; F51-N91 VanDerWaalsContact CD1-C 3.5Å; F51-N91 HydrophobicContact CD1-CB 3.82Å; F51-N91 WeakPolarHBondContact CD1-O 3.48Å; F51-N91 HydrophobicContact CD2-CB 3.63Å; F51-N91 HydrophobicContact CE1-CB 3.71Å; F51-N91 HydrophobicContact CE2-CB 3.49Å; F51-N91 VanDerWaalsContact CE2-CB 3.49Å; F51-N91 HydrophobicContact CG-CB 3.78Å; F51-N91 HydrophobicContact CZ-CB 3.52Å; F51-S92 WeakPolarHBondContact CE1-OG 3.25Å; F51-G95 CarbonylContact C-O 3.51Å; F51-R96 WeakPolarHBondContact O-CA 3.42Å; F51-I97 HydrophobicContact CB-CG1 4.44Å; F51-I97 HydrophobicContact CD2-CG1 4.16Å
52	G	94.6	Very high	96.8	Very high	64 Å²	64	34.2 Å²	34.2	66%	0.66	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	-117.6	-173.3	0	0	0	0	0	111.6	G95	G52-G95 VanDerWaalsContact CA-O 3.31Å; G52-G95 WeakPolarHBondContact CA-O 3.44Å; G52-G95 PolarHBondContact N-O 3.13Å
53	K	93.8	Very high	96.8	Very high	201 Å²	201	34.3 Å²	34.3	87%	0.874	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-16.5	177.2	-63.7	-178.3	-178.7	178.4	0	113.2	F51	F51-K53 PolarHBondContact O-N 2.86Å
54	D	95	Very high	96.8	Very high	40 Å²	40	34 Å²	34	21%	0.214	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.3	-177.2	-67.1	-4	0	0	0	109.3	E50 F51 R96 I97	E50-D54 VanDerWaalsContact CA-O 3.27Å; E50-D54 WeakPolarHBondContact CA-O 3.28Å; E50-D54 VanDerWaalsContact CB-O 3.3Å; E50-D54 WeakPolarHBondContact CB-O 2.97Å; F51-D54 PolarHBondContact N-O 2.82Å; F51-D54 PolarHBondContact O-N 2.84Å; D54-R96 WeakPolarHBondContact OD2-CB 3.21Å; D54-R96 IonicContact OD2-NH1 2.74Å; D54-I97 HydrophobicContact CB-CB 4.13Å; D54-I97 HydrophobicContact CB-CD1 3.93Å; D54-I97 HydrophobicContact CB-CG1 3.83Å; D54-I97 PolarHBondContact OD2-N 2.71Å
55	R	96.3	Very high	96.8	Very high	159 Å²	159	34 Å²	34	60%	0.6	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120	145.2	-179	-62.8	-179.3	176.9	-110.9	1.5	110	E50	E50-R55 HydrophobicContact CB-CG 4.04Å
56	Y	97	Very high	96.8	Very high	3 Å²	3	34 Å²	34	1%	0.012	17%	0.168	C	C	.	.			trans	-71.9	147.5	167.3	-71.4	-59.4	0	0	0	111	F49 F51 D61 M63 N91 I97 E101 T104 L339	F49-Y56 PolarHBondContact O-N 2.89Å; F51-Y56 HydrophobicContact CD2-CE2 4.09Å; F51-Y56 AromaticContact CE2-CE2 3.91Å; F51-Y56 HydrophobicContact CE2-CE2 3.91Å; Y56-D61 HydrophobicContact CD1-CB 3.48Å; Y56-D61 VanDerWaalsContact CD1-CB 3.48Å; Y56-D61 HydrophobicContact CE1-CB 4.22Å; Y56-D61 HydrophobicContact CG-CB 3.7Å; Y56-M63 HydrophobicContact CE1-CE 4.42Å; Y56-M63 HydrophobicContact CE2-CE 3.84Å; Y56-M63 HydrophobicContact CE2-CG 4.23Å; Y56-M63 WeakPolarHBondContact OH-CE 3.03Å; Y56-N91 PolarHBondContact OH-ND2 2.94Å; Y56-I97 HydrophobicContact CD1-CD1 3.62Å; Y56-I97 HydrophobicContact CD1-CG1 4.5Å; Y56-I97 HydrophobicContact CD2-CD1 4.33Å; Y56-I97 HydrophobicContact CE1-CD1 3.59Å; Y56-I97 HydrophobicContact CE1-CG1 3.99Å; Y56-I97 HydrophobicContact CE1-CG2 3.93Å; Y56-I97 HydrophobicContact CE2-CD1 4.31Å; Y56-I97 HydrophobicContact CG-CD1 4.01Å; Y56-E101 HydrophobicContact CD1-CB 4.5Å; Y56-E101 HydrophobicContact CD1-CG 4.18Å; Y56-E101 HydrophobicContact CE1-CB 4.23Å; Y56-E101 HydrophobicContact CE1-CG 3.47Å; Y56-E101 VanDerWaalsContact CE1-CG 3.47Å; Y56-T104 HydrophobicContact CD1-CG2 3.94Å; Y56-T104 HydrophobicContact CE1-CG2 4.5Å; Y56-L339 WeakPolarHBondContact O-CD1 3.41Å
57	N	96.1	Very high	96.9	Very high	79 Å²	79	34.5 Å²	34.5	42%	0.422	17%	0.17	S	C	.	.			trans	-100.8	-31.9	-177	-63.8	-47.8	0	0	0	112.9	T104 Q338 L339	N57-T104 PolarHBondContact N-OG1 2.72Å; N57-Q338 CarbonylContact O-C 3.49Å; N57-Q338 PolarHBondContact O-OE1 3.19Å; N57-L339 WeakPolarHBondContact O-CB 3.34Å; N57-L339 PolarHBondContact O-N 2.79Å
58	H	96.3	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-112.3	149.4	-177	-167.2	-88.5	0	0	0	111.8	F60 D61 F102 L334 Y337	H58-F60 VanDerWaalsContact C-N 3.26Å; H58-F60 AromaticContact CE1-CD1 3.92Å; H58-F60 AromaticContact CE1-CD2 3.27Å; H58-F60 WeakPolarHBondContact CE1-CD2 3.47Å; H58-F60 AromaticContact CE1-CE2 3.59Å; H58-F60 AromaticContact CE1-CG 3.45Å; H58-F60 VanDerWaalsContact CE1-CG 3.45Å; H58-F60 WeakPolarHBondContact CE1-CG 3.38Å; H58-F60 WeakPolarHBondContact ND1-CB 3.38Å; H58-F60 AromaticContact ND1-CD2 3.61Å; H58-F60 AromaticContact ND1-CG 3.45Å; H58-F60 WeakPolarHBondContact ND1-CG 3.24Å; H58-F60 PolarHBondContact ND1-N 3.42Å; H58-F60 VanDerWaalsContact ND1-N 3.2Å; H58-F60 PolarHBondContact O-N 2.85Å; H58-D61 WeakPolarHBondContact CB-OD2 3.43Å; H58-D61 PolarHBondContact N-OD2 2.93Å; H58-D61 WeakPolarHBondContact O-CB 3.3Å; H58-D61 PolarHBondContact O-N 2.84Å; H58-F102 HydrophobicContact CB-CD1 4.36Å; H58-F102 AromaticContact CD2-CE1 3.99Å; H58-F102 AromaticContact CE1-CD1 3.86Å; H58-F102 AromaticContact CE1-CE1 3.64Å; H58-F102 AromaticContact CG-CD1 3.78Å; H58-F102 AromaticContact ND1-CD1 3.52Å; H58-F102 AromaticContact ND1-CE1 3.78Å; H58-F102 AromaticContact NE2-CE1 3.76Å; H58-L334 PolarHBondContact NE2-O 2.68Å; H58-Y337 PolarHBondContact CD2-O 2.87Å
59	W	95.7	Very high	96.9	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.019	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-58.3	-40.2	-177.9	-178.6	22	0	0	0	112.3	L15 P46 D61 Y337 L339 L342 V443 Y523 F525	L15-W59 HydrophobicContact CD2-CD2 4.42Å; L15-W59 HydrophobicContact CD2-CG 4.29Å; P46-W59 WeakPolarHBondContact CG-O 3.42Å; W59-D61 PolarHBondContact O-N 2.82Å; W59-D61 VanDerWaalsContact O-N 3.16Å; W59-Y337 WeakPolarHBondContact CB-O 3.33Å; W59-Y337 AromaticContact CE3-CD1 3.51Å; W59-Y337 HydrophobicContact CE3-CD1 3.51Å; W59-Y337 AromaticContact CE3-CE1 3.98Å; W59-Y337 HydrophobicContact CE3-CE1 3.98Å; W59-Y337 HydrophobicContact CE3-CG 4.18Å; W59-Y337 AromaticContact CZ3-CD1 3.82Å; W59-Y337 HydrophobicContact CZ3-CD1 3.82Å; W59-Y337 AromaticContact CZ3-CE1 3.77Å; W59-Y337 HydrophobicContact CZ3-CE1 3.77Å; W59-Y337 PolarHBondContact N-O 3.12Å; W59-Y337 VanDerWaalsContact N-O 3.14Å; W59-L339 HydrophobicContact CB-CD2 4.41Å; W59-L342 HydrophobicContact CB-CD1 3.89Å; W59-L342 HydrophobicContact CD2-CD1 4.31Å; W59-L342 HydrophobicContact CE3-CD1 4.32Å; W59-L342 HydrophobicContact CG-CD1 4.16Å; W59-V443 HydrophobicContact CH2-CG1 4.48Å; W59-Y523 HydrophobicContact CH2-CD1 4.01Å; W59-Y523 HydrophobicContact CH2-CE1 4.1Å; W59-Y523 AromaticContact CZ2-CD1 3.58Å; W59-Y523 HydrophobicContact CZ2-CD1 3.58Å; W59-Y523 HydrophobicContact CZ2-CE1 4.12Å; W59-Y523 PolarHBondContact NE1-O 2.83Å; W59-F525 AromaticContact CD2-CE1 3.68Å; W59-F525 HydrophobicContact CD2-CE1 3.68Å; W59-F525 HydrophobicContact CD2-CZ 4.01Å; W59-F525 AromaticContact CE2-CE1 3.34Å; W59-F525 AromaticContact CE2-CZ 3.76Å; W59-F525 AromaticContact CE3-CE1 3.92Å; W59-F525 HydrophobicContact CE3-CE1 3.92Å; W59-F525 HydrophobicContact CG-CE1 4.37Å; W59-F525 HydrophobicContact CG-CZ 4.23Å; W59-F525 AromaticContact CH2-CD1 3.97Å; W59-F525 HydrophobicContact CH2-CD1 3.97Å; W59-F525 AromaticContact CH2-CE1 3.57Å; W59-F525 HydrophobicContact CH2-CE1 3.57Å; W59-F525 AromaticContact CZ2-CD1 3.8Å; W59-F525 HydrophobicContact CZ2-CD1 3.8Å; W59-F525 AromaticContact CZ2-CE1 3.24Å; W59-F525 HydrophobicContact CZ2-CE1 3.24Å; W59-F525 HydrophobicContact CZ2-CZ 4.09Å; W59-F525 AromaticContact CZ3-CE1 3.89Å; W59-F525 HydrophobicContact CZ3-CE1 3.89Å; W59-F525 AromaticContact NE1-CE1 3.89Å; W59-F525 AromaticContact NE1-CZ 3.84Å
60	F	95.2	Very high	96.9	Very high	54 Å²	54	36.9 Å²	36.9	24%	0.237	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-66.9	-10.4	178.1	-54.5	-17	0	0	0	114.7	H58 F102 N132 L334 F525	H58-F60 VanDerWaalsContact C-N 3.26Å; H58-F60 AromaticContact CE1-CD1 3.92Å; H58-F60 AromaticContact CE1-CD2 3.27Å; H58-F60 WeakPolarHBondContact CE1-CD2 3.47Å; H58-F60 AromaticContact CE1-CE2 3.59Å; H58-F60 AromaticContact CE1-CG 3.45Å; H58-F60 VanDerWaalsContact CE1-CG 3.45Å; H58-F60 WeakPolarHBondContact CE1-CG 3.38Å; H58-F60 WeakPolarHBondContact ND1-CB 3.38Å; H58-F60 AromaticContact ND1-CD2 3.61Å; H58-F60 AromaticContact ND1-CG 3.45Å; H58-F60 WeakPolarHBondContact ND1-CG 3.24Å; H58-F60 PolarHBondContact ND1-N 3.42Å; H58-F60 VanDerWaalsContact ND1-N 3.2Å; H58-F60 PolarHBondContact O-N 2.85Å; F60-F102 HydrophobicContact CB-CD1 4.48Å; F60-F102 HydrophobicContact CD2-CD1 4.08Å; F60-F102 HydrophobicContact CD2-CE1 4.12Å; F60-N132 PolarHBondContact O-ND2 3.41Å; F60-L334 HydrophobicContact CE2-CD2 3.78Å; F60-L334 HydrophobicContact CZ-CD2 4.49Å; F60-F525 AromaticContact CD1-CE1 3.86Å; F60-F525 HydrophobicContact CD1-CE1 3.86Å; F60-F525 HydrophobicContact CD1-CE2 4.27Å; F60-F525 AromaticContact CD1-CZ 3.51Å; F60-F525 HydrophobicContact CD1-CZ 3.51Å; F60-F525 AromaticContact CE1-CE1 3.86Å; F60-F525 HydrophobicContact CE1-CE1 3.86Å; F60-F525 HydrophobicContact CE1-CZ 4.01Å
61	D	97.3	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-86.5	-18.5	-174.8	-62.1	-15.4	0	0	0	113.1	Y56 H58 W59 M63 E101 F102 G103 T104 N130	Y56-D61 HydrophobicContact CD1-CB 3.48Å; Y56-D61 VanDerWaalsContact CD1-CB 3.48Å; Y56-D61 HydrophobicContact CE1-CB 4.22Å; Y56-D61 HydrophobicContact CG-CB 3.7Å; H58-D61 WeakPolarHBondContact CB-OD2 3.43Å; H58-D61 PolarHBondContact N-OD2 2.93Å; H58-D61 WeakPolarHBondContact O-CB 3.3Å; H58-D61 PolarHBondContact O-N 2.84Å; W59-D61 PolarHBondContact O-N 2.82Å; W59-D61 VanDerWaalsContact O-N 3.16Å; D61-M63 VanDerWaalsContact O-CE 3.3Å; D61-M63 WeakPolarHBondContact O-CE 3.46Å; D61-E101 HydrophobicContact CB-CB 3.68Å; D61-E101 HydrophobicContact CB-CG 4.17Å; D61-E101 WeakPolarHBondContact OD1-CB 3.38Å; D61-F102 WeakPolarHBondContact OD1-CA 3.19Å; D61-F102 WeakPolarHBondContact OD1-CB 3.42Å; D61-F102 PolarHBondContact OD1-N 3.29Å; D61-F102 VanDerWaalsContact OD1-N 3.08Å; D61-G103 PolarHBondContact OD1-N 2.81Å; D61-G103 VanDerWaalsContact OD2-C 3.23Å; D61-G103 WeakPolarHBondContact OD2-CA 3.03Å; D61-G103 PolarHBondContact OD2-N 2.85Å; D61-T104 VanDerWaalsContact OD2-CB 3.31Å; D61-T104 WeakPolarHBondContact OD2-CB 3.47Å; D61-T104 PolarHBondContact OD2-N 2.85Å; D61-T104 VanDerWaalsContact OD2-N 3.08Å; D61-T104 PolarHBondContact OD2-OG1 3.43Å; D61-N130 PolarHBondContact O-ND2 2.68Å
62	G	97.5	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-62.9	146.8	-177.2	0	0	0	0	0	112.1	K48 N130 N132	K48-G62 CarbonylContact O-C 3.56Å; K48-G62 VanDerWaalsContact O-CA 3.25Å; K48-G62 WeakPolarHBondContact O-CA 3.28Å; G62-N130 PolarHBondContact O-ND2 3.07Å; G62-N132 PolarHBondContact O-ND2 3Å
63	M	98.3	Very high	97.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	138.7	-173.6	-56.4	-74.7	86.7	0	0	112.3	G47 K48 F51 Y56 D61 L65 T87 Y88 E101 N130	G47-M63 PolarHBondContact N-O 3.42Å; K48-M63 HydrophobicContact CB-CB 4.09Å; K48-M63 HydrophobicContact CB-CG 4.24Å; K48-M63 PolarHBondContact O-N 3.43Å; F51-M63 HydrophobicContact CE2-CG 3.59Å; F51-M63 HydrophobicContact CE2-SD 3.87Å; F51-M63 HydrophobicContact CZ-CG 3.68Å; F51-M63 HydrophobicContact CZ-SD 4.04Å; Y56-M63 HydrophobicContact CE1-CE 4.42Å; Y56-M63 HydrophobicContact CE2-CE 3.84Å; Y56-M63 HydrophobicContact CE2-CG 4.23Å; Y56-M63 WeakPolarHBondContact OH-CE 3.03Å; D61-M63 VanDerWaalsContact O-CE 3.3Å; D61-M63 WeakPolarHBondContact O-CE 3.46Å; M63-L65 PolarHBondContact O-N 2.6Å; M63-T87 HydrophobicContact CE-CG2 4.28Å; M63-T87 HydrophobicContact SD-CG2 4.26Å; M63-Y88 HydrophobicContact CB-CD2 3.74Å; M63-Y88 HydrophobicContact CB-CE2 4.23Å; M63-Y88 HydrophobicContact CG-CD2 3.78Å; M63-Y88 HydrophobicContact CG-CE2 4.37Å; M63-Y88 HydrophobicContact SD-CD2 4.22Å; M63-E101 HydrophobicContact CE-CG 4.36Å; M63-N130 WeakPolarHBondContact CA-OD1 3.44Å; M63-N130 HydrophobicContact CE-CB 4.05Å; M63-N130 WeakPolarHBondContact CE-ND2 3.21Å
64	A	98.5	Very high	97.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	116.1	-179.3	0	0	0	0	0	112.7	V44 G45 L66 L83 N130 N132	V44-A64 HydrophobicContact CG2-CB 4.23Å; G45-A64 WeakPolarHBondContact O-CA 3.33Å; A64-L66 HydrophobicContact CB-CD1 4.46Å; A64-L83 HydrophobicContact CB-CB 3.77Å; A64-L83 HydrophobicContact CB-CD2 4.07Å; A64-L83 PolarHBondContact O-N 2.76Å; A64-N130 PolarHBondContact N-OD1 3.3Å; A64-N132 HydrophobicContact CB-CB 3.62Å
65	L	98.5	Very high	97.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.4	167.5	-178.3	61.6	0	0	0	108.2	A18 E20 V44 G45 M63 H67 F82 P522	A18-L65 HydrophobicContact CB-CD2 4.39Å; E20-L65 HydrophobicContact CB-CD1 4.41Å; V44-L65 WeakPolarHBondContact CA-O 3.29Å; G45-L65 PolarHBondContact N-O 3.41Å; G45-L65 PolarHBondContact O-N 2.95Å; M63-L65 PolarHBondContact O-N 2.6Å; L65-H67 VanDerWaalsContact CD2-CE1 3.45Å; L65-H67 WeakPolarHBondContact CD2-CE1 3.38Å; L65-H67 PolarHBondContact O-CD2 2.97Å; L65-F82 HydrophobicContact CB-CD1 4.19Å; L65-F82 HydrophobicContact CB-CE1 3.99Å; L65-F82 HydrophobicContact CD1-CD1 4.1Å; L65-F82 HydrophobicContact CD1-CD2 4.19Å; L65-F82 HydrophobicContact CD1-CE1 4.14Å; L65-F82 HydrophobicContact CD1-CE2 4.24Å; L65-F82 HydrophobicContact CD1-CG 4.12Å; L65-F82 HydrophobicContact CD1-CZ 4.2Å; L65-P522 HydrophobicContact CD2-CG 3.93Å
66	L	98.5	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.6	177.1	-76.4	65.9	0	0	0	108.5	V44 A64 S80 K81 L83 F135 M144 V154 L159	V44-L66 HydrophobicContact CG2-CD1 4.29Å; A64-L66 HydrophobicContact CB-CD1 4.46Å; L66-S80 CarbonylContact O-C 3.56Å; L66-S80 WeakPolarHBondContact O-CA 3.25Å; L66-S80 WeakPolarHBondContact O-CB 3.48Å; L66-K81 PolarHBondContact N-O 3.41Å; L66-K81 PolarHBondContact O-N 2.9Å; L66-L83 HydrophobicContact CD1-CB 3.7Å; L66-L83 HydrophobicContact CD1-CD1 4.27Å; L66-L83 HydrophobicContact CD1-CG 4.45Å; L66-F135 HydrophobicContact CB-CZ 4.33Å; L66-F135 HydrophobicContact CD2-CE1 4.25Å; L66-F135 HydrophobicContact CD2-CZ 3.87Å; L66-F135 HydrophobicContact CG-CE2 4.46Å; L66-F135 HydrophobicContact CG-CZ 3.87Å; L66-M144 HydrophobicContact CD1-CE 4.15Å; L66-M144 HydrophobicContact CD1-CG 4.43Å; L66-M144 HydrophobicContact CD1-SD 4.47Å; L66-M144 HydrophobicContact CD2-CE 4.36Å; L66-M144 HydrophobicContact CD2-CG 4.12Å; L66-M144 HydrophobicContact CD2-SD 3.77Å; L66-M144 HydrophobicContact CG-CE 3.98Å; L66-M144 HydrophobicContact CG-SD 4.05Å; L66-V154 HydrophobicContact CD2-CG1 4.15Å; L66-L159 HydrophobicContact CB-CB 4.47Å; L66-L159 HydrophobicContact CB-CD1 4.26Å; L66-L159 HydrophobicContact CB-CD2 4.27Å; L66-L159 HydrophobicContact CD2-CB 4.45Å; L66-L159 HydrophobicContact CD2-CD2 4.33Å
67	H	98.3	Very high	97.5	Very high	11 Å²	11	29.3 Å²	29.3	5%	0.051	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.5	177.8	-56	-95.7	0	0	0	109.4	L42 R43 L65 Y78	L42-H67 WeakPolarHBondContact CA-O 3.43Å; R43-H67 HydrophobicContact CB-CB 4.11Å; R43-H67 PolarHBondContact N-O 2.92Å; R43-H67 PolarHBondContact O-N 2.95Å; L65-H67 VanDerWaalsContact CD2-CE1 3.45Å; L65-H67 WeakPolarHBondContact CD2-CE1 3.38Å; L65-H67 PolarHBondContact O-CD2 2.97Å; H67-Y78 HydrophobicContact CB-CE2 4.09Å; H67-Y78 AromaticContact ND1-CE2 3.83Å; H67-Y78 AromaticContact ND1-CZ 3.8Å; H67-Y78 PolarHBondContact ND1-OH 3.31Å
68	Q	98.2	Very high	97.7	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.037	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.5	174.5	-179.4	-164.6	96	0	0	109	Y40 L41 L42 Y78 K79 I156 E157 L159	Y40-Q68 VanDerWaalsContact CD1-CD 3.48Å; Y40-Q68 HydrophobicContact CD1-CG 3.63Å; Y40-Q68 HydrophobicContact CE1-CG 4.36Å; Y40-Q68 HydrophobicContact CG-CG 4.29Å; L41-Q68 WeakPolarHBondContact O-CA 3.35Å; L42-Q68 HydrophobicContact CD2-CB 4Å; L42-Q68 HydrophobicContact CD2-CG 3.86Å; Q68-Y78 WeakPolarHBondContact O-CA 3.47Å; Q68-K79 HydrophobicContact CB-CG 4.09Å; Q68-K79 PolarHBondContact N-O 2.94Å; Q68-K79 PolarHBondContact O-N 2.81Å; Q68-I156 PolarHBondContact NE2-O 3.45Å; Q68-E157 PolarHBondContact NE2-O 2.92Å; Q68-L159 HydrophobicContact CB-CD1 3.93Å; Q68-L159 HydrophobicContact CB-CD2 4.18Å; Q68-L159 HydrophobicContact CB-CG 4.35Å
69	F	98.3	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.1	160.6	-66.5	-102.8	0	0	0	107.9	Y40 L41 M71 V76 T77 Y78 V489 L501 V517 M521	Y40-F69 CarbonylContact C-O 3.39Å; Y40-F69 WeakPolarHBondContact CA-O 3.29Å; L41-F69 HydrophobicContact CB-CB 4.28Å; L41-F69 PolarHBondContact N-O 3.43Å; L41-F69 PolarHBondContact O-N 3.25Å; F69-M71 VanDerWaalsContact O-CE 3.26Å; F69-M71 WeakPolarHBondContact O-CE 3.43Å; F69-V76 HydrophobicContact CB-CG1 4.23Å; F69-V76 HydrophobicContact CD1-CG1 3.95Å; F69-T77 CarbonylContact C-O 3.58Å; F69-T77 VanDerWaalsContact CA-O 3.27Å; F69-T77 WeakPolarHBondContact CA-O 3.3Å; F69-Y78 HydrophobicContact CD1-CD2 4.11Å; F69-Y78 AromaticContact CD2-CD2 3.95Å; F69-Y78 HydrophobicContact CD2-CD2 3.95Å; F69-Y78 HydrophobicContact CD2-CE2 4.47Å; F69-Y78 AromaticContact CE1-CD2 3.78Å; F69-Y78 HydrophobicContact CE1-CD2 3.78Å; F69-Y78 HydrophobicContact CE1-CG 4.3Å; F69-Y78 AromaticContact CE2-CD2 3.57Å; F69-Y78 HydrophobicContact CE2-CD2 3.57Å; F69-Y78 AromaticContact CE2-CE2 3.83Å; F69-Y78 HydrophobicContact CE2-CE2 3.83Å; F69-Y78 HydrophobicContact CG-CD2 4.21Å; F69-Y78 AromaticContact CZ-CD2 3.5Å; F69-Y78 HydrophobicContact CZ-CD2 3.5Å; F69-Y78 AromaticContact CZ-CE2 3.95Å; F69-Y78 HydrophobicContact CZ-CE2 3.95Å; F69-Y78 HydrophobicContact CZ-CG 4.38Å; F69-V489 HydrophobicContact CD2-CG2 4.02Å; F69-V489 HydrophobicContact CE2-CB 4.4Å; F69-V489 HydrophobicContact CE2-CG1 4.04Å; F69-V489 HydrophobicContact CE2-CG2 3.42Å; F69-V489 VanDerWaalsContact CE2-CG2 3.42Å; F69-V489 HydrophobicContact CZ-CG1 3.93Å; F69-V489 HydrophobicContact CZ-CG2 3.98Å; F69-L501 HydrophobicContact CB-CD2 4.01Å; F69-L501 HydrophobicContact CD1-CB 3.77Å; F69-L501 HydrophobicContact CD1-CD2 4.15Å; F69-L501 HydrophobicContact CE1-CB 3.81Å; F69-L501 HydrophobicContact CG-CB 4.39Å; F69-L501 HydrophobicContact CG-CD2 4.24Å; F69-L501 HydrophobicContact CZ-CB 4.49Å; F69-V517 HydrophobicContact CE1-CG1 4.14Å; F69-V517 HydrophobicContact CE1-CG2 4.11Å; F69-V517 HydrophobicContact CZ-CG2 4.38Å; F69-M521 HydrophobicContact CE1-CE 4.47Å; F69-M521 HydrophobicContact CE2-CE 4.47Å; F69-M521 HydrophobicContact CZ-CE 3.73Å; F69-M521 HydrophobicContact CZ-SD 4.13Å
70	R	98.3	Very high	97.8	Very high	89 Å²	89	27.1 Å²	27.1	34%	0.336	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.4	173.2	178	-176.6	173.3	153.3	-4.5	108.5	G39 Y40 E72 V76 T77	G39-R70 WeakPolarHBondContact O-CA 3.3Å; Y40-R70 HydrophobicContact CD1-CB 3.75Å; Y40-R70 HydrophobicContact CD1-CG 3.98Å; Y40-R70 HydrophobicContact CE1-CB 3.75Å; Y40-R70 HydrophobicContact CE1-CG 3.63Å; R70-E72 IonicContact CZ-OE2 2.91Å; R70-E72 IonicContact NE-OE2 2.72Å; R70-E72 PolarHBondContact NE-OE2 2.72Å; R70-E72 IonicContact NH2-OE2 2.79Å; R70-E72 PolarHBondContact NH2-OE2 2.78Å; R70-V76 CarbonylContact O-C 3.56Å; R70-V76 VanDerWaalsContact O-CA 3.25Å; R70-V76 WeakPolarHBondContact O-CA 3.17Å; R70-T77 PolarHBondContact N-O 3.01Å; R70-T77 PolarHBondContact O-N 2.9Å
71	M	98.2	Very high	98	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.5	174.1	-68	140.5	-72.8	0	0	109.3	L37 N38 G39 L41 F69 T75 V76 L487 L501 F529	L37-M71 HydrophobicContact CD2-CB 4.41Å; L37-M71 HydrophobicContact CD2-CG 4.13Å; L37-M71 HydrophobicContact CD2-SD 3.41Å; L37-M71 WeakPolarHBondContact CD2-SD 3.25Å; L37-M71 HydrophobicContact CG-CB 4.28Å; L37-M71 HydrophobicContact CG-CG 4.49Å; L37-M71 HydrophobicContact CG-SD 3.88Å; L37-M71 WeakPolarHBondContact O-CB 3.37Å; N38-M71 WeakPolarHBondContact CA-O 3.33Å; G39-M71 PolarHBondContact N-O 3.49Å; G39-M71 PolarHBondContact O-N 3.23Å; L41-M71 HydrophobicContact CB-CE 3.75Å; L41-M71 VanDerWaalsContact N-CE 3.29Å; F69-M71 VanDerWaalsContact O-CE 3.26Å; F69-M71 WeakPolarHBondContact O-CE 3.43Å; M71-T75 WeakPolarHBondContact CA-O 3.45Å; M71-V76 HydrophobicContact CG-CG1 4.43Å; M71-V76 HydrophobicContact CG-CG2 3.78Å; M71-L487 HydrophobicContact CE-CD1 4.3Å; M71-L487 HydrophobicContact SD-CD1 3.99Å; M71-L501 HydrophobicContact CG-CD2 4.21Å; M71-L501 HydrophobicContact SD-CD2 3.73Å; M71-F529 HydrophobicContact CE-CD2 4.02Å; M71-F529 HydrophobicContact CE-CE2 3.61Å; M71-F529 HydrophobicContact SD-CE2 4.25Å
72	E	97.5	Very high	98	Very high	44 Å²	44	26.6 Å²	26.6	21%	0.206	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	123	177.2	-174.6	-175.8	155.5	0	0	109.3	R70 G74 T75	R70-E72 IonicContact CZ-OE2 2.91Å; R70-E72 IonicContact NE-OE2 2.72Å; R70-E72 PolarHBondContact NE-OE2 2.72Å; R70-E72 IonicContact NH2-OE2 2.79Å; R70-E72 PolarHBondContact NH2-OE2 2.78Å; E72-G74 VanDerWaalsContact C-N 3.28Å; E72-G74 PolarHBondContact O-N 3.34Å; E72-T75 PolarHBondContact N-O 2.92Å; E72-T75 PolarHBondContact O-N 2.81Å; E72-T75 PolarHBondContact O-OG1 3.02Å
73	R	96.4	Very high	98.1	Very high	184 Å²	184	26.7 Å²	26.7	69%	0.694	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	45.8	176.5	-65.9	178.1	-78.4	-170.8	-6.6	113	T75	R73-T75 PolarHBondContact O-N 3.29Å
74	G	96.9	Very high	98.1	Very high	17 Å²	17	29.5 Å²	29.5	18%	0.175	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-0.7	-179.9	0	0	0	0	0	115.5	E72	E72-G74 VanDerWaalsContact C-N 3.28Å; E72-G74 PolarHBondContact O-N 3.34Å
75	T	97.7	Very high	98	Very high	84 Å²	84	29.5 Å²	29.5	52%	0.515	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	151.5	174	70.6	0	0	0	0	111.1	M71 E72 R73	M71-T75 WeakPolarHBondContact CA-O 3.45Å; E72-T75 PolarHBondContact N-O 2.92Å; E72-T75 PolarHBondContact O-N 2.81Å; E72-T75 PolarHBondContact O-OG1 3.02Å; R73-T75 PolarHBondContact O-N 3.29Å
76	V	98.5	Very high	98	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.6	178.9	-176.1	0	0	0	0	110.2	A27 I33 F69 R70 M71 L501 A515	A27-V76 HydrophobicContact CB-CB 4.08Å; A27-V76 HydrophobicContact CB-CG1 4.28Å; A27-V76 WeakPolarHBondContact CB-O 3.4Å; A27-V76 PolarHBondContact N-O 2.76Å; I33-V76 HydrophobicContact CG1-CG2 4.4Å; I33-V76 HydrophobicContact CG2-CG2 4.42Å; F69-V76 HydrophobicContact CB-CG1 4.23Å; F69-V76 HydrophobicContact CD1-CG1 3.95Å; R70-V76 CarbonylContact O-C 3.56Å; R70-V76 VanDerWaalsContact O-CA 3.25Å; R70-V76 WeakPolarHBondContact O-CA 3.17Å; M71-V76 HydrophobicContact CG-CG1 4.43Å; M71-V76 HydrophobicContact CG-CG2 3.78Å; V76-L501 HydrophobicContact CG1-CD2 4.14Å; V76-A515 HydrophobicContact CB-CB 3.66Å; V76-A515 HydrophobicContact CG1-CB 3.93Å; V76-A515 HydrophobicContact CG2-CB 3.69Å
77	T	98.2	Very high	97.9	Very high	33 Å²	33	32.6 Å²	32.6	20%	0.202	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.6	167.6	63.3	0	0	0	0	110.8	V25 F69 R70	V25-T77 CarbonylContact O-C 3.47Å; V25-T77 VanDerWaalsContact O-CA 3.25Å; V25-T77 WeakPolarHBondContact O-CA 3.38Å; F69-T77 CarbonylContact C-O 3.58Å; F69-T77 VanDerWaalsContact CA-O 3.27Å; F69-T77 WeakPolarHBondContact CA-O 3.3Å; R70-T77 PolarHBondContact N-O 3.01Å; R70-T77 PolarHBondContact O-N 2.9Å
78	Y	98.4	Very high	97.9	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.6	-179.6	168.9	-94.9	0	0	0	111.7	T21 A24 V25 H67 Q68 F69 S80 V517 V519 M521	T21-Y78 HydrophobicContact CG2-CD1 4.13Å; T21-Y78 HydrophobicContact CG2-CE1 4.11Å; A24-Y78 WeakPolarHBondContact CA-O 3.16Å; V25-Y78 PolarHBondContact N-O 2.86Å; V25-Y78 PolarHBondContact O-N 3.29Å; H67-Y78 HydrophobicContact CB-CE2 4.09Å; H67-Y78 AromaticContact ND1-CE2 3.83Å; H67-Y78 AromaticContact ND1-CZ 3.8Å; H67-Y78 PolarHBondContact ND1-OH 3.31Å; Q68-Y78 WeakPolarHBondContact O-CA 3.47Å; F69-Y78 HydrophobicContact CD1-CD2 4.11Å; F69-Y78 AromaticContact CD2-CD2 3.95Å; F69-Y78 HydrophobicContact CD2-CD2 3.95Å; F69-Y78 HydrophobicContact CD2-CE2 4.47Å; F69-Y78 AromaticContact CE1-CD2 3.78Å; F69-Y78 HydrophobicContact CE1-CD2 3.78Å; F69-Y78 HydrophobicContact CE1-CG 4.3Å; F69-Y78 AromaticContact CE2-CD2 3.57Å; F69-Y78 HydrophobicContact CE2-CD2 3.57Å; F69-Y78 AromaticContact CE2-CE2 3.83Å; F69-Y78 HydrophobicContact CE2-CE2 3.83Å; F69-Y78 HydrophobicContact CG-CD2 4.21Å; F69-Y78 AromaticContact CZ-CD2 3.5Å; F69-Y78 HydrophobicContact CZ-CD2 3.5Å; F69-Y78 AromaticContact CZ-CE2 3.95Å; F69-Y78 HydrophobicContact CZ-CE2 3.95Å; F69-Y78 HydrophobicContact CZ-CG 4.38Å; Y78-S80 VanDerWaalsContact OH-CB 3.28Å; Y78-S80 WeakPolarHBondContact OH-CB 3.17Å; Y78-S80 PolarHBondContact OH-OG 3.27Å; Y78-V517 HydrophobicContact CG-CG1 4.35Å; Y78-V519 HydrophobicContact CD1-CG2 3.72Å; Y78-V519 HydrophobicContact CE1-CB 4.32Å; Y78-V519 HydrophobicContact CE1-CG2 3.42Å; Y78-V519 VanDerWaalsContact CE1-CG2 3.42Å; Y78-M521 HydrophobicContact CD1-CE 4.13Å; Y78-M521 HydrophobicContact CD2-CE 3.7Å; Y78-M521 HydrophobicContact CE1-CE 3.79Å; Y78-M521 HydrophobicContact CE2-CE 3.29Å; Y78-M521 HydrophobicContact CE2-SD 4Å; Y78-M521 HydrophobicContact CG-CE 4.08Å
79	K	97.8	Very high	97.8	Very high	35 Å²	35	37.5 Å²	37.5	15%	0.152	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161.1	163.3	61.9	175.7	178.6	179.9	0	111.6	T21 Q68 E157 L159	T21-K79 CarbonylContact O-C 3.46Å; T21-K79 VanDerWaalsContact O-CA 3.31Å; T21-K79 WeakPolarHBondContact O-CA 3.41Å; T21-K79 VanDerWaalsContact O-CB 3.23Å; T21-K79 WeakPolarHBondContact O-CB 3.39Å; Q68-K79 HydrophobicContact CB-CG 4.09Å; Q68-K79 PolarHBondContact N-O 2.94Å; Q68-K79 PolarHBondContact O-N 2.81Å; K79-E157 WeakPolarHBondContact CE-O 3.18Å; K79-E157 PolarHBondContact NZ-O 2.95Å; K79-L159 HydrophobicContact CG-CD1 4.08Å
80	S	98.3	Very high	97.7	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.7	172.3	61.1	0	0	0	0	112.2	T21 L66 Y78	T21-S80 CarbonylContact C-O 3.58Å; T21-S80 VanDerWaalsContact C-O 3.28Å; T21-S80 PolarHBondContact N-O 3.36Å; T21-S80 PolarHBondContact N-OG 2.91Å; T21-S80 PolarHBondContact O-N 3.27Å; T21-S80 VanDerWaalsContact O-O 3.09Å; L66-S80 CarbonylContact O-C 3.56Å; L66-S80 WeakPolarHBondContact O-CA 3.25Å; L66-S80 WeakPolarHBondContact O-CB 3.48Å; Y78-S80 VanDerWaalsContact OH-CB 3.28Å; Y78-S80 WeakPolarHBondContact OH-CB 3.17Å; Y78-S80 PolarHBondContact OH-OG 3.27Å
81	K	98.2	Very high	97.6	Very high	37 Å²	37	34.9 Å²	34.9	16%	0.161	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	135	-180	-169.4	162.5	-179.3	167.8	0	110.7	L22 L66 L83 L159 E160	L22-K81 HydrophobicContact CD2-CB 4.32Å; L22-K81 HydrophobicContact CD2-CD 4.03Å; L22-K81 HydrophobicContact CD2-CG 3.94Å; L66-K81 PolarHBondContact N-O 3.41Å; L66-K81 PolarHBondContact O-N 2.9Å; K81-L83 PolarHBondContact O-N 3.14Å; K81-L159 HydrophobicContact CB-CB 3.96Å; K81-L159 HydrophobicContact CB-CD1 4.44Å; K81-E160 HydrophobicContact CD-CG 4.37Å; K81-E160 VanDerWaalsContact NZ-CG 3.27Å; K81-E160 IonicContact NZ-OE1 3.63Å; K81-E160 PolarHBondContact NZ-OE1 2.95Å
82	F	98.5	Very high	97.5	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	134.9	171.6	-80	-72.6	0	0	0	110.3	A18 E20 G47 K48 L65 Q84 Y88	A18-F82 WeakPolarHBondContact O-CZ 3.49Å; E20-F82 HydrophobicContact CB-CD2 4.12Å; E20-F82 HydrophobicContact CB-CE2 4.42Å; E20-F82 HydrophobicContact CG-CD2 4.38Å; E20-F82 PolarHBondContact OE2-N 3.34Å; G47-F82 WeakPolarHBondContact O-CZ 3.43Å; K48-F82 HydrophobicContact CB-CE1 3.63Å; K48-F82 HydrophobicContact CB-CZ 3.82Å; L65-F82 HydrophobicContact CB-CD1 4.19Å; L65-F82 HydrophobicContact CB-CE1 3.99Å; L65-F82 HydrophobicContact CD1-CD1 4.1Å; L65-F82 HydrophobicContact CD1-CD2 4.19Å; L65-F82 HydrophobicContact CD1-CE1 4.14Å; L65-F82 HydrophobicContact CD1-CE2 4.24Å; L65-F82 HydrophobicContact CD1-CG 4.12Å; L65-F82 HydrophobicContact CD1-CZ 4.2Å; F82-Q84 PolarHBondContact O-N 3.03Å; F82-Q84 VanDerWaalsContact O-N 3.14Å; F82-Q84 PolarHBondContact O-NE2 3.37Å; F82-Y88 HydrophobicContact CB-CD2 4.43Å; F82-Y88 HydrophobicContact CB-CE1 4.14Å; F82-Y88 HydrophobicContact CB-CE2 3.85Å; F82-Y88 HydrophobicContact CD1-CD2 4.42Å; F82-Y88 AromaticContact CD1-CE2 3.77Å; F82-Y88 HydrophobicContact CD1-CE2 3.77Å; F82-Y88 HydrophobicContact CD2-CE2 4.37Å; F82-Y88 HydrophobicContact CE1-CE2 4.44Å; F82-Y88 AromaticContact CG-CE2 3.73Å; F82-Y88 HydrophobicContact CG-CE2 3.73Å; F82-Y88 AromaticContact CG-CZ 3.8Å
83	L	98.4	Very high	97.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.217	C	C	.	.			trans	-62.6	120.8	173.4	-174.5	64.1	0	0	0	109.2	A64 L66 K81 S85 Y88 T131 M144 N152 V154 R161	A64-L83 HydrophobicContact CB-CB 3.77Å; A64-L83 HydrophobicContact CB-CD2 4.07Å; A64-L83 PolarHBondContact O-N 2.76Å; L66-L83 HydrophobicContact CD1-CB 3.7Å; L66-L83 HydrophobicContact CD1-CD1 4.27Å; L66-L83 HydrophobicContact CD1-CG 4.45Å; K81-L83 PolarHBondContact O-N 3.14Å; L83-S85 PolarHBondContact O-N 3.13Å; L83-Y88 WeakPolarHBondContact O-CB 3.09Å; L83-T131 WeakPolarHBondContact CD2-OG1 3.4Å; L83-M144 HydrophobicContact CD1-CG 4.13Å; L83-M144 HydrophobicContact CD2-CB 4.16Å; L83-M144 HydrophobicContact CD2-CG 4.28Å; L83-N152 HydrophobicContact CD1-CB 4.12Å; L83-N152 HydrophobicContact CD2-CB 4.02Å; L83-V154 HydrophobicContact CD1-CG1 3.94Å; L83-R161 HydrophobicContact CD1-CB 4.08Å
84	Q	97.8	Very high	97.2	Very high	60 Å²	60	32.9 Å²	32.9	28%	0.28	20%	0.204	S	C	.	.			trans	-77.9	51.1	178.1	-61.8	-58	-46.2	0	0	111.7	F82 K89 R161	F82-Q84 PolarHBondContact O-N 3.03Å; F82-Q84 VanDerWaalsContact O-N 3.14Å; F82-Q84 PolarHBondContact O-NE2 3.37Å; Q84-K89 WeakPolarHBondContact O-CE 3.34Å; Q84-K89 PolarHBondContact O-NZ 3.47Å; Q84-R161 PolarHBondContact O-NE 2.9Å; Q84-R161 PolarHBondContact O-NH1 3.07Å
85	S	97.9	Very high	97.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	22%	0.215	C	C	.	.			trans	-66.9	161.9	175.6	72.2	0	0	0	0	111.2	L83 T87 Y88 K89 D129	L83-S85 PolarHBondContact O-N 3.13Å; S85-T87 PolarHBondContact O-N 3.26Å; S85-Y88 PolarHBondContact O-N 3.39Å; S85-Y88 WeakPolarHBondContact OG-CB 3.41Å; S85-Y88 PolarHBondContact OG-N 2.82Å; S85-K89 WeakPolarHBondContact O-CB 3.34Å; S85-K89 VanDerWaalsContact O-CG 3.32Å; S85-K89 WeakPolarHBondContact O-CG 3.49Å; S85-K89 PolarHBondContact O-N 2.93Å; S85-D129 WeakPolarHBondContact CB-O 3.48Å; S85-D129 WeakPolarHBondContact CB-OD1 3.17Å
86	D	97.2	Very high	96.9	Very high	66 Å²	66	31.6 Å²	31.6	35%	0.353	20%	0.197	S	C	.	.	H	α-helix	trans	-64.2	-33.9	176.9	-59	-18.4	0	0	0	110.1	K89 A90 D129 R161 K164	D86-K89 PolarHBondContact O-N 2.91Å; D86-A90 VanDerWaalsContact O-CB 3.26Å; D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 3.24Å; D86-D129 VanDerWaalsContact CB-OD2 3.31Å; D86-D129 WeakPolarHBondContact CB-OD2 3.47Å; D86-D129 PolarHBondContact N-OD1 3.37Å; D86-D129 PolarHBondContact N-OD2 3.37Å; D86-R161 IonicContact OD1-CZ 2.67Å; D86-R161 IonicContact OD1-NH1 3.11Å; D86-R161 PolarHBondContact OD1-NH1 3.49Å; D86-R161 IonicContact OD1-NH2 3.2Å; D86-K164 WeakPolarHBondContact OD2-CD 3.44Å; D86-K164 IonicContact OD2-NZ 3.47Å; D86-K164 PolarHBondContact OD2-NZ 3.19Å
87	T	96.8	Very high	96.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-48.6	176.1	-54	0	0	0	0	112.5	M63 S85 K89 A90 N91 I99 E101 T128 D129	M63-T87 HydrophobicContact CE-CG2 4.28Å; M63-T87 HydrophobicContact SD-CG2 4.26Å; S85-T87 PolarHBondContact O-N 3.26Å; T87-K89 VanDerWaalsContact C-N 3.33Å; T87-K89 PolarHBondContact O-N 2.79Å; T87-A90 PolarHBondContact O-N 2.75Å; T87-N91 WeakPolarHBondContact O-CB 3.46Å; T87-N91 VanDerWaalsContact O-CG 3.29Å; T87-N91 PolarHBondContact O-N 2.6Å; T87-N91 PolarHBondContact O-ND2 3.05Å; T87-I99 HydrophobicContact CG2-CB 3.85Å; T87-I99 HydrophobicContact CG2-CD1 4.14Å; T87-I99 HydrophobicContact CG2-CG2 3.81Å; T87-E101 WeakPolarHBondContact CG2-OE1 3.34Å; T87-T128 PolarHBondContact OG1-OG1 2.96Å; T87-D129 WeakPolarHBondContact CB-OD1 3.28Å; T87-D129 PolarHBondContact N-OD1 2.91Å; T87-D129 PolarHBondContact OG1-N 3.39Å; T87-D129 PolarHBondContact OG1-OD1 3.4Å
88	Y	97.6	Very high	96.4	Very high	32 Å²	32	32.8 Å²	32.8	13%	0.125	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-45.3	176.4	-176	-96.8	0	0	0	111.4	K48 F51 M63 F82 L83 S85 S92	K48-Y88 HydrophobicContact CD-CE2 3.93Å; F51-Y88 HydrophobicContact CZ-CD2 4.16Å; F51-Y88 HydrophobicContact CZ-CE2 4.32Å; M63-Y88 HydrophobicContact CB-CD2 3.74Å; M63-Y88 HydrophobicContact CB-CE2 4.23Å; M63-Y88 HydrophobicContact CG-CD2 3.78Å; M63-Y88 HydrophobicContact CG-CE2 4.37Å; M63-Y88 HydrophobicContact SD-CD2 4.22Å; F82-Y88 HydrophobicContact CB-CD2 4.43Å; F82-Y88 HydrophobicContact CB-CE1 4.14Å; F82-Y88 HydrophobicContact CB-CE2 3.85Å; F82-Y88 HydrophobicContact CD1-CD2 4.42Å; F82-Y88 AromaticContact CD1-CE2 3.77Å; F82-Y88 HydrophobicContact CD1-CE2 3.77Å; F82-Y88 HydrophobicContact CD2-CE2 4.37Å; F82-Y88 HydrophobicContact CE1-CE2 4.44Å; F82-Y88 AromaticContact CG-CE2 3.73Å; F82-Y88 HydrophobicContact CG-CE2 3.73Å; F82-Y88 AromaticContact CG-CZ 3.8Å; L83-Y88 WeakPolarHBondContact O-CB 3.09Å; S85-Y88 PolarHBondContact O-N 3.39Å; S85-Y88 WeakPolarHBondContact OG-CB 3.41Å; S85-Y88 PolarHBondContact OG-N 2.82Å; Y88-S92 VanDerWaalsContact O-CB 3.24Å; Y88-S92 WeakPolarHBondContact O-CB 3.27Å; Y88-S92 PolarHBondContact O-N 3.49Å; Y88-S92 PolarHBondContact O-OG 3.49Å
89	K	97.4	Very high	96	Very high	89 Å²	89	33.7 Å²	33.7	39%	0.387	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-45.9	179.2	-72.8	172.7	-178.7	168.3	0	112.3	Q84 S85 D86 T87 S92 A93	Q84-K89 WeakPolarHBondContact O-CE 3.34Å; Q84-K89 PolarHBondContact O-NZ 3.47Å; S85-K89 WeakPolarHBondContact O-CB 3.34Å; S85-K89 VanDerWaalsContact O-CG 3.32Å; S85-K89 WeakPolarHBondContact O-CG 3.49Å; S85-K89 PolarHBondContact O-N 2.93Å; D86-K89 PolarHBondContact O-N 2.91Å; T87-K89 VanDerWaalsContact C-N 3.33Å; T87-K89 PolarHBondContact O-N 2.79Å; K89-S92 PolarHBondContact O-N 3.17Å; K89-A93 VanDerWaalsContact O-CB 3.3Å; K89-A93 WeakPolarHBondContact O-CB 3.31Å; K89-A93 PolarHBondContact O-N 3.36Å
90	A	95.6	Very high	95.7	Very high	35 Å²	35	33.4 Å²	33.4	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-64.8	-45.2	-179.2	0	0	0	0	0	111.9	D86 T87 A93 G94 V98 I99	D86-A90 VanDerWaalsContact O-CB 3.26Å; D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 3.24Å; T87-A90 PolarHBondContact O-N 2.75Å; A90-A93 PolarHBondContact O-N 3.26Å; A90-G94 PolarHBondContact O-N 2.86Å; A90-V98 HydrophobicContact CB-CG2 3.73Å; A90-I99 HydrophobicContact CB-CD1 3.91Å
91	N	96.1	Very high	95.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-39.3	177.6	-65.6	-22	0	0	0	111.7	F51 Y56 T87 G95 R96 V98 I99	F51-N91 VanDerWaalsContact CD1-C 3.5Å; F51-N91 HydrophobicContact CD1-CB 3.82Å; F51-N91 WeakPolarHBondContact CD1-O 3.48Å; F51-N91 HydrophobicContact CD2-CB 3.63Å; F51-N91 HydrophobicContact CE1-CB 3.71Å; F51-N91 HydrophobicContact CE2-CB 3.49Å; F51-N91 VanDerWaalsContact CE2-CB 3.49Å; F51-N91 HydrophobicContact CG-CB 3.78Å; F51-N91 HydrophobicContact CZ-CB 3.52Å; Y56-N91 PolarHBondContact OH-ND2 2.94Å; T87-N91 WeakPolarHBondContact O-CB 3.46Å; T87-N91 VanDerWaalsContact O-CG 3.29Å; T87-N91 PolarHBondContact O-N 2.6Å; T87-N91 PolarHBondContact O-ND2 3.05Å; N91-G95 PolarHBondContact O-N 3.39Å; N91-R96 VanDerWaalsContact CA-O 3.29Å; N91-R96 WeakPolarHBondContact CA-O 3.45Å; N91-R96 PolarHBondContact O-N 2.95Å; N91-V98 VanDerWaalsContact OD1-CG2 3.22Å; N91-V98 WeakPolarHBondContact OD1-CG2 3.4Å; N91-V98 PolarHBondContact OD1-N 2.91Å; N91-I99 PolarHBondContact OD1-N 2.87Å
92	S	96.4	Very high	95.2	Very high	51 Å²	51	33.9 Å²	33.9	36%	0.357	21%	0.212	S	C	.	.	H	α-helix	trans	-62.7	-47.5	175	-60.9	0	0	0	0	111.9	F51 Y88 K89 G94 G95	F51-S92 WeakPolarHBondContact CE1-OG 3.25Å; Y88-S92 VanDerWaalsContact O-CB 3.24Å; Y88-S92 WeakPolarHBondContact O-CB 3.27Å; Y88-S92 PolarHBondContact O-N 3.49Å; Y88-S92 PolarHBondContact O-OG 3.49Å; K89-S92 PolarHBondContact O-N 3.17Å; S92-G94 VanDerWaalsContact C-N 3.34Å; S92-G94 PolarHBondContact O-N 2.81Å; S92-G95 PolarHBondContact O-N 2.93Å
93	A	95.7	Very high	94.8	Very high	93 Å²	93	33.7 Å²	33.7	77%	0.769	21%	0.212	S	C	*	.	H	α-helix	trans	-65.1	-36.7	-179.9	0	0	0	0	0	112.6	K89 A90	K89-A93 VanDerWaalsContact O-CB 3.3Å; K89-A93 WeakPolarHBondContact O-CB 3.31Å; K89-A93 PolarHBondContact O-N 3.36Å; A90-A93 PolarHBondContact O-N 3.26Å
94	G	91.3	Very high	94.4	Very high	42 Å²	42	33.9 Å²	33.9	43%	0.433	21%	0.214	S	C	.	.	H	α-helix	trans	-79.3	-14.1	176.6	0	0	0	0	0	114.6	A90 S92 R96	A90-G94 PolarHBondContact O-N 2.86Å; S92-G94 VanDerWaalsContact C-N 3.34Å; S92-G94 PolarHBondContact O-N 2.81Å; G94-R96 PolarHBondContact O-N 2.83Å
95	G	94.7	Very high	94	Very high	38 Å²	38	33 Å²	33	39%	0.392	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	24.6	-171.7	0	0	0	0	0	113.4	F51 G52 N91 S92	F51-G95 CarbonylContact C-O 3.51Å; G52-G95 VanDerWaalsContact CA-O 3.31Å; G52-G95 WeakPolarHBondContact CA-O 3.44Å; G52-G95 PolarHBondContact N-O 3.13Å; N91-G95 PolarHBondContact O-N 3.39Å; S92-G95 PolarHBondContact O-N 2.93Å
96	R	94.2	Very high	93.3	Very high	36 Å²	36	33.7 Å²	33.7	14%	0.136	22%	0.217	C	C	.	.	S	Bend	trans	-162.7	166.5	-173.2	76.4	-174.6	-142.2	83.3	11.8	111.1	F51 D54 N91 G94 V98 L107 D109	F51-R96 WeakPolarHBondContact O-CA 3.42Å; D54-R96 WeakPolarHBondContact OD2-CB 3.21Å; D54-R96 IonicContact OD2-NH1 2.74Å; N91-R96 VanDerWaalsContact CA-O 3.29Å; N91-R96 WeakPolarHBondContact CA-O 3.45Å; N91-R96 PolarHBondContact O-N 2.95Å; G94-R96 PolarHBondContact O-N 2.83Å; R96-V98 HydrophobicContact CG-CG1 3.7Å; R96-V98 PolarHBondContact O-N 2.97Å; R96-L107 PolarHBondContact NH2-O 2.95Å; R96-D109 VanDerWaalsContact NH2-CA 3.31Å
97	I	94	Very high	92.1	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	23%	0.226	C	C	.	.			trans	-80.1	109	178.3	-61.6	170.7	0	0	0	108.8	F51 D54 Y56 I99 T104 A106	F51-I97 HydrophobicContact CB-CG1 4.44Å; F51-I97 HydrophobicContact CD2-CG1 4.16Å; D54-I97 HydrophobicContact CB-CB 4.13Å; D54-I97 HydrophobicContact CB-CD1 3.93Å; D54-I97 HydrophobicContact CB-CG1 3.83Å; D54-I97 PolarHBondContact OD2-N 2.71Å; Y56-I97 HydrophobicContact CD1-CD1 3.62Å; Y56-I97 HydrophobicContact CD1-CG1 4.5Å; Y56-I97 HydrophobicContact CD2-CD1 4.33Å; Y56-I97 HydrophobicContact CE1-CD1 3.59Å; Y56-I97 HydrophobicContact CE1-CG1 3.99Å; Y56-I97 HydrophobicContact CE1-CG2 3.93Å; Y56-I97 HydrophobicContact CE2-CD1 4.31Å; Y56-I97 HydrophobicContact CG-CD1 4.01Å; I97-I99 VanDerWaalsContact CG2-O 3.25Å; I97-I99 WeakPolarHBondContact CG2-O 3.41Å; I97-T104 HydrophobicContact CD1-CG2 4.08Å; I97-T104 HydrophobicContact CG2-CG2 4.48Å; I97-A106 HydrophobicContact CG2-CB 4.29Å
98	V	91.4	Very high	90.8	Very high	57 Å²	57	37.6 Å²	37.6	35%	0.345	24%	0.239	S	C	.	.			trans	-107.4	-19.7	-178.9	-61.1	0	0	0	0	113.5	A90 N91 R96 A106	A90-V98 HydrophobicContact CB-CG2 3.73Å; N91-V98 VanDerWaalsContact OD1-CG2 3.22Å; N91-V98 WeakPolarHBondContact OD1-CG2 3.4Å; N91-V98 PolarHBondContact OD1-N 2.91Å; R96-V98 HydrophobicContact CG-CG1 3.7Å; R96-V98 PolarHBondContact O-N 2.97Å; V98-A106 VanDerWaalsContact C-CB 3.41Å; V98-A106 WeakPolarHBondContact O-CB 3.41Å
99	I	90.9	Very high	89.2	Confident	20 Å²	20	38.9 Å²	38.9	10%	0.103	25%	0.248	C	C	.	.	S	Bend	trans	-110.5	134.8	172.3	-70.6	160	0	0	0	108.7	T87 A90 N91 I97 T126	T87-I99 HydrophobicContact CG2-CB 3.85Å; T87-I99 HydrophobicContact CG2-CD1 4.14Å; T87-I99 HydrophobicContact CG2-CG2 3.81Å; A90-I99 HydrophobicContact CB-CD1 3.91Å; N91-I99 PolarHBondContact OD1-N 2.87Å; I97-I99 VanDerWaalsContact CG2-O 3.25Å; I97-I99 WeakPolarHBondContact CG2-O 3.41Å; I99-T126 HydrophobicContact CG1-CG2 4.49Å
100	S	91.5	Very high	87.4	Confident	30 Å²	30	38.2 Å²	38.2	21%	0.21	25%	0.253	C	S	.	.			trans	-78.2	141.8	-179.9	-54.3	0	0	0	0	110	T104 A106	S100-T104 CarbonylContact C-O 3.57Å; S100-T104 WeakPolarHBondContact CA-O 3.25Å; S100-T104 WeakPolarHBondContact CB-O 3.23Å; S100-A106 PolarHBondContact OG-N 3.49Å
101	E	93.8	Very high	85.9	Confident	11 Å²	11	42 Å²	42	5%	0.051	28%	0.277	C	S	.	.			trans	-110	-174.1	175.8	-63.9	-62.3	160.9	0	0	110.2	Y56 D61 M63 T87 G103 T104 T128	Y56-E101 HydrophobicContact CD1-CB 4.5Å; Y56-E101 HydrophobicContact CD1-CG 4.18Å; Y56-E101 HydrophobicContact CE1-CB 4.23Å; Y56-E101 HydrophobicContact CE1-CG 3.47Å; Y56-E101 VanDerWaalsContact CE1-CG 3.47Å; D61-E101 HydrophobicContact CB-CB 3.68Å; D61-E101 HydrophobicContact CB-CG 4.17Å; D61-E101 WeakPolarHBondContact OD1-CB 3.38Å; M63-E101 HydrophobicContact CE-CG 4.36Å; T87-E101 WeakPolarHBondContact CG2-OE1 3.34Å; E101-G103 PolarHBondContact O-N 3.18Å; E101-T104 PolarHBondContact N-O 3.14Å; E101-T128 VanDerWaalsContact CD-OG1 3.29Å; E101-T128 PolarHBondContact OE1-OG1 3.18Å; E101-T128 WeakPolarHBondContact OE2-CB 3.49Å; E101-T128 WeakPolarHBondContact OE2-CG2 3.37Å; E101-T128 PolarHBondContact OE2-OG1 2.61Å
102	F	91.7	Very high	84.4	Confident	37 Å²	37	45.2 Å²	45.2	16%	0.162	29%	0.29	C	S	.	.	S	Bend	trans	-53.7	-53.7	-176.8	172.4	-99.3	0	0	0	112.9	H58 F60 D61 F272 A273 I276 L334	H58-F102 HydrophobicContact CB-CD1 4.36Å; H58-F102 AromaticContact CD2-CE1 3.99Å; H58-F102 AromaticContact CE1-CD1 3.86Å; H58-F102 AromaticContact CE1-CE1 3.64Å; H58-F102 AromaticContact CG-CD1 3.78Å; H58-F102 AromaticContact ND1-CD1 3.52Å; H58-F102 AromaticContact ND1-CE1 3.78Å; H58-F102 AromaticContact NE2-CE1 3.76Å; F60-F102 HydrophobicContact CB-CD1 4.48Å; F60-F102 HydrophobicContact CD2-CD1 4.08Å; F60-F102 HydrophobicContact CD2-CE1 4.12Å; D61-F102 WeakPolarHBondContact OD1-CA 3.19Å; D61-F102 WeakPolarHBondContact OD1-CB 3.42Å; D61-F102 PolarHBondContact OD1-N 3.29Å; D61-F102 VanDerWaalsContact OD1-N 3.08Å; F102-F272 AromaticContact CD2-CD1 3.85Å; F102-F272 HydrophobicContact CD2-CD1 3.85Å; F102-F272 HydrophobicContact CD2-CE1 4.44Å; F102-F272 HydrophobicContact CE2-CD1 4.09Å; F102-F272 WeakPolarHBondContact O-CB 3.19Å; F102-F272 PolarHBondContact O-N 2.98Å; F102-A273 HydrophobicContact CD1-CB 4.15Å; F102-A273 HydrophobicContact CE1-CB 3.73Å; F102-A273 HydrophobicContact CE2-CB 4.31Å; F102-A273 HydrophobicContact CZ-CB 3.82Å; F102-A273 WeakPolarHBondContact O-CB 3.44Å; F102-A273 PolarHBondContact O-N 2.61Å; F102-I276 HydrophobicContact CE2-CD1 3.62Å; F102-I276 HydrophobicContact CZ-CD1 4.09Å; F102-L334 HydrophobicContact CZ-CD1 4.31Å; F102-L334 HydrophobicContact CZ-CD2 4.07Å
103	G	91.5	Very high	82.4	Confident	3 Å²	3	45.6 Å²	45.6	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	-103.6	-0.5	-179	0	0	0	0	0	115	D61 E101 P271	D61-G103 PolarHBondContact OD1-N 2.81Å; D61-G103 VanDerWaalsContact OD2-C 3.23Å; D61-G103 WeakPolarHBondContact OD2-CA 3.03Å; D61-G103 PolarHBondContact OD2-N 2.85Å; E101-G103 PolarHBondContact O-N 3.18Å; G103-P271 WeakPolarHBondContact O-CB 3.25Å
104	T	89.7	Confident	80.4	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.031	29%	0.292	C	S	.	.			trans	-129.2	119.4	-172.7	-56.7	0	0	0	0	112	Y56 N57 D61 I97 S100 E101	Y56-T104 HydrophobicContact CD1-CG2 3.94Å; Y56-T104 HydrophobicContact CE1-CG2 4.5Å; N57-T104 PolarHBondContact N-OG1 2.72Å; D61-T104 VanDerWaalsContact OD2-CB 3.31Å; D61-T104 WeakPolarHBondContact OD2-CB 3.47Å; D61-T104 PolarHBondContact OD2-N 2.85Å; D61-T104 VanDerWaalsContact OD2-N 3.08Å; D61-T104 PolarHBondContact OD2-OG1 3.43Å; I97-T104 HydrophobicContact CD1-CG2 4.08Å; I97-T104 HydrophobicContact CG2-CG2 4.48Å; S100-T104 CarbonylContact C-O 3.57Å; S100-T104 WeakPolarHBondContact CA-O 3.25Å; S100-T104 WeakPolarHBondContact CB-O 3.23Å; E101-T104 PolarHBondContact N-O 3.14Å
105	L	88	Confident	78.8	Confident	42 Å²	42	53.1 Å²	53.1	22%	0.22	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-85.2	128.4	173.1	-174.1	73.2	0	0	0	110.2	L107 G269	L105-L107 PolarHBondContact O-N 3.43Å; L105-G269 VanDerWaalsContact CD2-C 3.49Å
106	A	83.6	Confident	77	Confident	16 Å²	16	56 Å²	56	13%	0.132	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-67.2	128.6	170.2	0	0	0	0	0	110.4	I97 V98 S100	I97-A106 HydrophobicContact CG2-CB 4.29Å; V98-A106 VanDerWaalsContact C-CB 3.41Å; V98-A106 WeakPolarHBondContact O-CB 3.41Å; S100-A106 PolarHBondContact OG-N 3.49Å
107	L	73.3	Confident	75.5	Confident	106 Å²	106	58.5 Å²	58.5	56%	0.555	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-73.7	147.9	176.2	-66.1	175.6	0	0	0	110.2	R96 L105	R96-L107 PolarHBondContact NH2-O 2.95Å; L105-L107 PolarHBondContact O-N 3.43Å
108	P	68.3	Low	73.8	Confident	43 Å²	43	63.4 Å²	63.4	28%	0.279	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-56.8	146.5	171.3	-24.3	34	0	0	0	111.8	R117	P108-R117 HydrophobicContact CB-CB 4.08Å; P108-R117 HydrophobicContact CB-CG 3.96Å
109	D	63.3	Low	72.5	Confident	58 Å²	58	65 Å²	65	31%	0.31	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-55.9	121.5	-178.9	-175.7	-8	0	0	0	111.5	R96 C111 K112 R117	R96-D109 VanDerWaalsContact NH2-CA 3.31Å; D109-C111 PolarHBondContact O-N 3.37Å; D109-C111 WeakPolarHBondContact OD1-CB 3.43Å; D109-C111 PolarHBondContact OD1-N 2.92Å; D109-K112 HydrophobicContact CB-CB 4.21Å; D109-K112 HydrophobicContact CB-CD 3.91Å; D109-K112 HydrophobicContact CB-CG 3.82Å; D109-K112 WeakPolarHBondContact O-CB 3.12Å; D109-K112 PolarHBondContact O-N 2.93Å; D109-K112 VanDerWaalsContact O-N 3.12Å; D109-R117 PolarHBondContact O-NE 3.18Å
110	P	60.4	Low	71.1	Confident	75 Å²	75	64.9 Å²	64.9	49%	0.487	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.2	177.5	27.4	-34.9	0	0	0	113	R117	P110-R117 VanDerWaalsContact C-NH2 3.28Å; P110-R117 PolarHBondContact O-NH2 3Å
111	C	63.4	Low	69.6	Low	116 Å²	116	68.7 Å²	68.7	78%	0.784	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.6	176	-62.5	0	0	0	0	112.9	D109	D109-C111 PolarHBondContact O-N 3.37Å; D109-C111 WeakPolarHBondContact OD1-CB 3.43Å; D109-C111 PolarHBondContact OD1-N 2.92Å
112	K	64.7	Low	68	Low	67 Å²	67	73.9 Å²	73.9	29%	0.291	37%	0.374	S	S	.	.	S	Bend	trans	-68.3	142.4	174.3	-79.3	-179	-177.6	-169	0	110.8	D109 E116 R117	D109-K112 HydrophobicContact CB-CB 4.21Å; D109-K112 HydrophobicContact CB-CD 3.91Å; D109-K112 HydrophobicContact CB-CG 3.82Å; D109-K112 WeakPolarHBondContact O-CB 3.12Å; D109-K112 PolarHBondContact O-N 2.93Å; D109-K112 VanDerWaalsContact O-N 3.12Å; K112-E116 WeakPolarHBondContact CA-OE2 3.49Å; K112-E116 HydrophobicContact CB-CB 3.82Å; K112-E116 HydrophobicContact CD-CB 4.13Å; K112-E116 HydrophobicContact CG-CB 4.05Å; K112-R117 HydrophobicContact CB-CG 3.75Å; K112-R117 PolarHBondContact O-NE 3.36Å; K112-R117 VanDerWaalsContact O-NE 3.09Å
113	S	55.1	Low	66.6	Low	58 Å²	58	77.2 Å²	77.2	41%	0.406	39%	0.39	S	S	.	.			trans	-59.1	158.8	171.1	67.9	0	0	0	0	110.9	F115 E116 R117	S113-F115 PolarHBondContact O-N 3.49Å; S113-F115 VanDerWaalsContact O-N 3.15Å; S113-E116 PolarHBondContact N-OE2 2.81Å; S113-E116 PolarHBondContact O-N 2.81Å; S113-E116 VanDerWaalsContact O-N 3.12Å; S113-E116 WeakPolarHBondContact OG-CB 3.23Å; S113-E116 VanDerWaalsContact OG-CG 3.29Å; S113-E116 WeakPolarHBondContact OG-CG 3.4Å; S113-E116 PolarHBondContact OG-N 2.9Å; S113-E116 PolarHBondContact OG-OE2 3.45Å; S113-R117 WeakPolarHBondContact O-CG 3.29Å; S113-R117 PolarHBondContact O-N 3.04Å
114	I	54.2	Low	65.1	Low	148 Å²	148	82.2 Å²	82.2	76%	0.759	42%	0.422	S	S	*	.	H	α-helix	trans	-53.8	-38.6	177.7	-65.5	174	0	0	0	111.1	F118	I114-F118 PolarHBondContact O-N 3.42Å
115	F	57.1	Low	63.9	Low	145 Å²	145	85.7 Å²	85.7	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-66.8	-47.5	177.7	-174.5	-100.8	0	0	0	112.1	S113 R117 F118 M119	S113-F115 PolarHBondContact O-N 3.49Å; S113-F115 VanDerWaalsContact O-N 3.15Å; F115-R117 VanDerWaalsContact C-N 3.33Å; F115-R117 PolarHBondContact O-N 3.28Å; F115-F118 WeakPolarHBondContact O-CB 3.35Å; F115-F118 PolarHBondContact O-N 3.05Å; F115-F118 VanDerWaalsContact O-N 3.12Å; F115-M119 HydrophobicContact CD1-CG 4.1Å; F115-M119 HydrophobicContact CE1-CG 3.74Å; F115-M119 HydrophobicContact CE1-SD 4.38Å; F115-M119 HydrophobicContact CZ-CG 3.97Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 WeakPolarHBondContact O-CG 3.48Å; F115-M119 PolarHBondContact O-N 2.95Å
116	E	57.7	Low	63.4	Low	99 Å²	99	88.2 Å²	88.2	46%	0.463	46%	0.462	S	S	.	.	H	α-helix	trans	-64	-37.2	176.3	-73.3	167.4	160.9	0	0	112.5	K112 S113 F118 M119 S120	K112-E116 WeakPolarHBondContact CA-OE2 3.49Å; K112-E116 HydrophobicContact CB-CB 3.82Å; K112-E116 HydrophobicContact CD-CB 4.13Å; K112-E116 HydrophobicContact CG-CB 4.05Å; S113-E116 PolarHBondContact N-OE2 2.81Å; S113-E116 PolarHBondContact O-N 2.81Å; S113-E116 VanDerWaalsContact O-N 3.12Å; S113-E116 WeakPolarHBondContact OG-CB 3.23Å; S113-E116 VanDerWaalsContact OG-CG 3.29Å; S113-E116 WeakPolarHBondContact OG-CG 3.4Å; S113-E116 PolarHBondContact OG-N 2.9Å; S113-E116 PolarHBondContact OG-OE2 3.45Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 2.81Å; E116-M119 PolarHBondContact O-N 2.85Å; E116-S120 WeakPolarHBondContact O-CB 3.37Å; E116-S120 PolarHBondContact O-N 3.44Å
117	R	61.7	Low	63.7	Low	89 Å²	89	91.5 Å²	91.5	34%	0.336	48%	0.476	S	S	.	.	H	α-helix	trans	-62.7	-40.4	172.5	-69.2	-174.7	-165.5	175.9	10.5	111.1	P108 D109 P110 K112 S113 F115 S120	P108-R117 HydrophobicContact CB-CB 4.08Å; P108-R117 HydrophobicContact CB-CG 3.96Å; D109-R117 PolarHBondContact O-NE 3.18Å; P110-R117 VanDerWaalsContact C-NH2 3.28Å; P110-R117 PolarHBondContact O-NH2 3Å; K112-R117 HydrophobicContact CB-CG 3.75Å; K112-R117 PolarHBondContact O-NE 3.36Å; K112-R117 VanDerWaalsContact O-NE 3.09Å; S113-R117 WeakPolarHBondContact O-CG 3.29Å; S113-R117 PolarHBondContact O-N 3.04Å; F115-R117 VanDerWaalsContact C-N 3.33Å; F115-R117 PolarHBondContact O-N 3.28Å; R117-S120 PolarHBondContact O-OG 2.99Å
118	F	59.1	Low	64.6	Low	107 Å²	107	87.1 Å²	87.1	47%	0.469	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-49.7	174.1	-178	-100.9	0	0	0	111.2	I114 F115 E116 S120 R121 F122	I114-F118 PolarHBondContact O-N 3.42Å; F115-F118 WeakPolarHBondContact O-CB 3.35Å; F115-F118 PolarHBondContact O-N 3.05Å; F115-F118 VanDerWaalsContact O-N 3.12Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 2.81Å; F118-S120 VanDerWaalsContact C-N 3.31Å; F118-S120 PolarHBondContact O-N 3.29Å; F118-R121 WeakPolarHBondContact O-CB 3.33Å; F118-R121 PolarHBondContact O-N 3.1Å; F118-R121 VanDerWaalsContact O-N 3.14Å; F118-F122 AromaticContact CD1-CE2 3.76Å; F118-F122 HydrophobicContact CD1-CE2 3.76Å; F118-F122 HydrophobicContact CD2-CE2 4.36Å; F118-F122 HydrophobicContact CE1-CD2 4.43Å; F118-F122 AromaticContact CE1-CE2 3.37Å; F118-F122 HydrophobicContact CE1-CE2 3.37Å; F118-F122 AromaticContact CE1-CZ 3.86Å; F118-F122 HydrophobicContact CE1-CZ 3.86Å; F118-F122 HydrophobicContact CE2-CE2 4.01Å; F118-F122 HydrophobicContact CE2-CZ 4.2Å; F118-F122 HydrophobicContact CG-CE2 4.24Å; F118-F122 AromaticContact CZ-CE2 3.51Å; F118-F122 HydrophobicContact CZ-CE2 3.51Å; F118-F122 AromaticContact CZ-CZ 3.61Å; F118-F122 HydrophobicContact CZ-CZ 3.61Å; F118-F122 VanDerWaalsContact O-CD2 3.29Å; F118-F122 WeakPolarHBondContact O-CD2 3.39Å; F118-F122 WeakPolarHBondContact O-CE2 3.49Å
119	M	63.1	Low	66	Low	91 Å²	91	85 Å²	85	45%	0.448	44%	0.44	S	S	.	.	H	α-helix	trans	-60	-38.2	178.2	-67.4	-56.9	-66.7	0	0	112.7	F115 E116 R121 F122	F115-M119 HydrophobicContact CD1-CG 4.1Å; F115-M119 HydrophobicContact CE1-CG 3.74Å; F115-M119 HydrophobicContact CE1-SD 4.38Å; F115-M119 HydrophobicContact CZ-CG 3.97Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 WeakPolarHBondContact O-CG 3.48Å; F115-M119 PolarHBondContact O-N 2.95Å; E116-M119 PolarHBondContact O-N 2.85Å; M119-R121 PolarHBondContact O-N 3.45Å; M119-R121 VanDerWaalsContact O-N 3.12Å; M119-F122 WeakPolarHBondContact O-CB 3.37Å; M119-F122 PolarHBondContact O-N 2.88Å
120	S	60.8	Low	67.6	Low	16 Å²	16	82.3 Å²	82.3	11%	0.112	43%	0.425	C	S	.	.	H	α-helix	trans	-62.6	-19.7	178.5	73.2	0	0	0	0	114.4	E116 R117 F118 F122 E123	E116-S120 WeakPolarHBondContact O-CB 3.37Å; E116-S120 PolarHBondContact O-N 3.44Å; R117-S120 PolarHBondContact O-OG 2.99Å; F118-S120 VanDerWaalsContact C-N 3.31Å; F118-S120 PolarHBondContact O-N 3.29Å; S120-F122 PolarHBondContact O-N 3.21Å; S120-E123 PolarHBondContact O-N 3.01Å
121	R	60	Low	69.4	Low	110 Å²	110	78.8 Å²	78.8	42%	0.415	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.7	173.5	-65.8	-175	173.7	99.3	-4.6	112.8	F118 M119	F118-R121 WeakPolarHBondContact O-CB 3.33Å; F118-R121 PolarHBondContact O-N 3.1Å; F118-R121 VanDerWaalsContact O-N 3.14Å; M119-R121 PolarHBondContact O-N 3.45Å; M119-R121 VanDerWaalsContact O-N 3.12Å
122	F	60.8	Low	71.1	Confident	121 Å²	121	73.3 Å²	73.3	53%	0.531	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-11.7	178.1	-58.7	-84.4	0	0	0	112.7	F118 M119 S120	F118-F122 AromaticContact CD1-CE2 3.76Å; F118-F122 HydrophobicContact CD1-CE2 3.76Å; F118-F122 HydrophobicContact CD2-CE2 4.36Å; F118-F122 HydrophobicContact CE1-CD2 4.43Å; F118-F122 AromaticContact CE1-CE2 3.37Å; F118-F122 HydrophobicContact CE1-CE2 3.37Å; F118-F122 AromaticContact CE1-CZ 3.86Å; F118-F122 HydrophobicContact CE1-CZ 3.86Å; F118-F122 HydrophobicContact CE2-CE2 4.01Å; F118-F122 HydrophobicContact CE2-CZ 4.2Å; F118-F122 HydrophobicContact CG-CE2 4.24Å; F118-F122 AromaticContact CZ-CE2 3.51Å; F118-F122 HydrophobicContact CZ-CE2 3.51Å; F118-F122 AromaticContact CZ-CZ 3.61Å; F118-F122 HydrophobicContact CZ-CZ 3.61Å; F118-F122 VanDerWaalsContact O-CD2 3.29Å; F118-F122 WeakPolarHBondContact O-CD2 3.39Å; F118-F122 WeakPolarHBondContact O-CE2 3.49Å; M119-F122 WeakPolarHBondContact O-CB 3.37Å; M119-F122 PolarHBondContact O-N 2.88Å; S120-F122 PolarHBondContact O-N 3.21Å
123	E	61.8	Low	72.7	Confident	106 Å²	106	70.9 Å²	70.9	50%	0.495	36%	0.356	S	S	.	.	S	Bend	trans	-66.7	133	170.3	-70.8	173.7	-178.3	0	0	109.8	S120 K266	S120-E123 PolarHBondContact O-N 3.01Å; E123-K266 WeakPolarHBondContact O-CD 3.23Å; E123-K266 PolarHBondContact O-NZ 2.88Å
124	P	60	Low	74.7	Confident	109 Å²	109	69 Å²	69	71%	0.708	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-49.8	141	174.4	-25.7	33.2	0	0	0	111.2	T126 K266	P124-T126 PolarHBondContact O-N 3.22Å; P124-K266 PolarHBondContact O-NZ 3.14Å; P124-K266 VanDerWaalsContact O-NZ 3.08Å
125	P	64.5	Low	76.8	Confident	77 Å²	77	62.4 Å²	62.4	50%	0.5	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-61	125.2	174.2	23.9	-30.2	0	0	0	110.5	M127 K266	P125-M127 PolarHBondContact O-N 2.74Å; P125-K266 VanDerWaalsContact CA-CE 3.48Å; P125-K266 HydrophobicContact CB-CD 4.24Å
126	T	79.1	Confident	78.7	Confident	96 Å²	96	55.6 Å²	55.6	59%	0.589	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-63.3	119.4	167.1	-50.4	0	0	0	0	107.7	I99 P124	I99-T126 HydrophobicContact CG1-CG2 4.49Å; P124-T126 PolarHBondContact O-N 3.22Å
127	M	88.3	Confident	80.6	Confident	85 Å²	85	54.2 Å²	54.2	42%	0.419	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-69.9	135.3	176.1	-171	67.7	72.9	0	0	109.7	P125 T148 N149 F150	P125-M127 PolarHBondContact O-N 2.74Å; M127-T148 HydrophobicContact CG-CG2 3.87Å; M127-T148 HydrophobicContact SD-CG2 3.7Å; M127-N149 WeakPolarHBondContact CG-OD1 3.06Å; M127-F150 HydrophobicContact CB-CD2 4.26Å; M127-F150 HydrophobicContact CB-CE2 3.88Å; M127-F150 HydrophobicContact CG-CD2 4.31Å; M127-F150 HydrophobicContact CG-CE2 4.39Å
128	T	93.9	Very high	82.3	Confident	13 Å²	13	50 Å²	50	8%	0.08	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-67.9	144.1	178.3	-175.3	0	0	0	0	111.5	T87 E101 N130 T148	T87-T128 PolarHBondContact OG1-OG1 2.96Å; E101-T128 VanDerWaalsContact CD-OG1 3.29Å; E101-T128 PolarHBondContact OE1-OG1 3.18Å; E101-T128 WeakPolarHBondContact OE2-CB 3.49Å; E101-T128 WeakPolarHBondContact OE2-CG2 3.37Å; E101-T128 PolarHBondContact OE2-OG1 2.61Å; T128-N130 VanDerWaalsContact OG1-CB 3.23Å; T128-N130 WeakPolarHBondContact OG1-CB 3.5Å; T128-N130 PolarHBondContact OG1-N 3.16Å; T128-T148 HydrophobicContact CG2-CG2 3.86Å; T128-T148 PolarHBondContact O-OG1 2.93Å; T128-T148 VanDerWaalsContact O-OG1 3.05Å
129	D	96.8	Very high	84.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.			trans	-113.2	24	166	69.9	-16.1	0	0	0	111.6	S85 D86 T87 T131 F150 N152 K164	S85-D129 WeakPolarHBondContact CB-O 3.48Å; S85-D129 WeakPolarHBondContact CB-OD1 3.17Å; D86-D129 VanDerWaalsContact CB-OD2 3.31Å; D86-D129 WeakPolarHBondContact CB-OD2 3.47Å; D86-D129 PolarHBondContact N-OD1 3.37Å; D86-D129 PolarHBondContact N-OD2 3.37Å; T87-D129 WeakPolarHBondContact CB-OD1 3.28Å; T87-D129 PolarHBondContact N-OD1 2.91Å; T87-D129 PolarHBondContact OG1-N 3.39Å; T87-D129 PolarHBondContact OG1-OD1 3.4Å; D129-T131 PolarHBondContact O-N 3.37Å; D129-F150 HydrophobicContact CB-CB 3.83Å; D129-F150 HydrophobicContact CB-CD2 4.15Å; D129-F150 HydrophobicContact CB-CG 4.25Å; D129-N152 PolarHBondContact O-ND2 3.38Å; D129-K164 HydrophobicContact CB-CD 4.46Å; D129-K164 WeakPolarHBondContact OD2-CD 3.22Å; D129-K164 WeakPolarHBondContact OD2-CE 3.42Å; D129-K164 IonicContact OD2-NZ 3.68Å; D129-K164 PolarHBondContact OD2-NZ 2.67Å
130	N	97.9	Very high	85.5	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.238	C	C	.	.			trans	-69	80.6	167.2	-177.2	31.8	0	0	0	110.3	D61 G62 M63 A64 T128 N132 T146	D61-N130 PolarHBondContact O-ND2 2.68Å; G62-N130 PolarHBondContact O-ND2 3.07Å; M63-N130 WeakPolarHBondContact CA-OD1 3.44Å; M63-N130 HydrophobicContact CE-CB 4.05Å; M63-N130 WeakPolarHBondContact CE-ND2 3.21Å; A64-N130 PolarHBondContact N-OD1 3.3Å; T128-N130 VanDerWaalsContact OG1-CB 3.23Å; T128-N130 WeakPolarHBondContact OG1-CB 3.5Å; T128-N130 PolarHBondContact OG1-N 3.16Å; N130-N132 VanDerWaalsContact C-N 3.29Å; N130-N132 PolarHBondContact ND2-ND2 3.21Å; N130-N132 PolarHBondContact O-N 3.23Å; N130-T146 WeakPolarHBondContact O-CB 3.35Å; N130-T146 WeakPolarHBondContact O-CG2 3.44Å
131	T	98	Very high	87.2	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.			trans	-84.2	70.5	-179.3	53.3	0	0	0	0	110.7	L83 D129 M144 S145 T146 F150 N152	L83-T131 WeakPolarHBondContact CD2-OG1 3.4Å; D129-T131 PolarHBondContact O-N 3.37Å; T131-M144 VanDerWaalsContact CB-C 3.43Å; T131-M144 VanDerWaalsContact CB-O 3.32Å; T131-M144 WeakPolarHBondContact CB-O 3.41Å; T131-M144 VanDerWaalsContact CG2-O 3.3Å; T131-M144 WeakPolarHBondContact CG2-O 3.37Å; T131-M144 WeakPolarHBondContact OG1-CB 3.34Å; T131-S145 CarbonylContact C-O 3.47Å; T131-T146 HydrophobicContact CG2-CG2 4Å; T131-F150 WeakPolarHBondContact CG2-O 3.23Å; T131-N152 WeakPolarHBondContact CG2-ND2 3.32Å; T131-N152 PolarHBondContact OG1-ND2 3.23Å
132	N	97.8	Very high	89	Confident	2 Å²	2	41 Å²	41	1%	0.011	23%	0.228	C	C	.	.			trans	-97.4	6.4	-172.7	66.7	-7.1	0	0	0	114.6	F60 G62 A64 N130 F525	F60-N132 PolarHBondContact O-ND2 3.41Å; G62-N132 PolarHBondContact O-ND2 3Å; A64-N132 HydrophobicContact CB-CB 3.62Å; N130-N132 VanDerWaalsContact C-N 3.29Å; N130-N132 PolarHBondContact ND2-ND2 3.21Å; N130-N132 PolarHBondContact O-N 3.23Å; N132-F525 WeakPolarHBondContact O-CD2 3.38Å
133	V	98.1	Very high	90.8	Very high	15 Å²	15	35.3 Å²	35.3	9%	0.091	20%	0.203	C	C	.	.	S	Bend	trans	-94.2	-56.8	-168.9	-177	0	0	0	0	111.8	V44 S145 A178 H526	V44-V133 VanDerWaalsContact CG1-C 3.42Å; V44-V133 VanDerWaalsContact CG1-O 3.31Å; V44-V133 WeakPolarHBondContact CG1-O 3.43Å; V133-S145 WeakPolarHBondContact CB-O 3.45Å; V133-S145 PolarHBondContact N-O 2.84Å; V133-S145 VanDerWaalsContact N-O 3.1Å; V133-A178 HydrophobicContact CB-CB 3.84Å; V133-A178 HydrophobicContact CG1-CB 3.49Å; V133-A178 VanDerWaalsContact CG1-CB 3.49Å; V133-H526 WeakPolarHBondContact O-CB 3.18Å; V133-H526 PolarHBondContact O-CD2 3.47Å; V133-H526 PolarHBondContact O-N 2.77Å
134	N	98.3	Very high	92.5	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.102	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.5	-172.3	-157.5	2.6	0	0	0	114.2	V136 M144 S145 A178 H526	N134-V136 HydrophobicContact CB-CG1 4.4Å; N134-M144 WeakPolarHBondContact O-CA 3.43Å; N134-S145 PolarHBondContact N-O 3.37Å; N134-S145 PolarHBondContact O-N 3.28Å; N134-A178 HydrophobicContact CB-CB 4.02Å; N134-A178 WeakPolarHBondContact CB-O 3.36Å; N134-A178 PolarHBondContact ND2-O 2.79Å; N134-H526 HydrophobicContact CB-CB 3.9Å; N134-H526 VanDerWaalsContact CG-CB 3.43Å; N134-H526 VanDerWaalsContact OD1-CB 3.23Å; N134-H526 WeakPolarHBondContact OD1-CB 3.23Å
135	F	97.8	Very high	94.3	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.039	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126	159.8	-76.3	-98.9	0	0	0	109	L42 V44 L66 Y143 M144 V154 I156 T528	L42-F135 HydrophobicContact CB-CD1 4.28Å; L42-F135 HydrophobicContact CB-CD2 4Å; L42-F135 HydrophobicContact CB-CE1 4.11Å; L42-F135 HydrophobicContact CB-CE2 3.83Å; L42-F135 HydrophobicContact CB-CG 4.23Å; L42-F135 HydrophobicContact CB-CZ 3.88Å; L42-F135 HydrophobicContact CD1-CD1 4.01Å; L42-F135 HydrophobicContact CD1-CE1 3.94Å; L42-F135 HydrophobicContact CD1-CZ 4.5Å; L42-F135 HydrophobicContact CG-CE1 4.47Å; V44-F135 HydrophobicContact CB-CD2 4.36Å; V44-F135 HydrophobicContact CB-CE2 4Å; V44-F135 HydrophobicContact CG1-CD2 4.27Å; V44-F135 HydrophobicContact CG1-CE2 4.4Å; L66-F135 HydrophobicContact CB-CZ 4.33Å; L66-F135 HydrophobicContact CD2-CE1 4.25Å; L66-F135 HydrophobicContact CD2-CZ 3.87Å; L66-F135 HydrophobicContact CG-CE2 4.46Å; L66-F135 HydrophobicContact CG-CZ 3.87Å; F135-Y143 CarbonylContact C-O 3.6Å; F135-Y143 WeakPolarHBondContact CA-O 3.28Å; F135-M144 HydrophobicContact CD1-CE 4.29Å; F135-M144 HydrophobicContact CD1-SD 3.45Å; F135-M144 WeakPolarHBondContact CD1-SD 3.49Å; F135-M144 HydrophobicContact CD2-CE 3.74Å; F135-M144 HydrophobicContact CD2-SD 4.02Å; F135-M144 HydrophobicContact CE1-CE 4.17Å; F135-M144 HydrophobicContact CE1-SD 3.28Å; F135-M144 WeakPolarHBondContact CE1-SD 3.41Å; F135-M144 HydrophobicContact CE2-CE 3.59Å; F135-M144 HydrophobicContact CE2-SD 3.86Å; F135-M144 HydrophobicContact CG-CE 4.09Å; F135-M144 HydrophobicContact CG-SD 3.82Å; F135-M144 HydrophobicContact CZ-CE 3.82Å; F135-M144 HydrophobicContact CZ-SD 3.5Å; F135-M144 WeakPolarHBondContact CZ-SD 3.48Å; F135-V154 HydrophobicContact CD1-CG2 4.36Å; F135-V154 HydrophobicContact CE1-CG2 4.06Å; F135-I156 HydrophobicContact CE1-CG2 4.46Å; F135-T528 HydrophobicContact CB-CG2 3.92Å
136	V	97.9	Very high	95.8	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.6	177.8	-58.2	0	0	0	0	110.5	N134 Y138 Y143 M151 P180	N134-V136 HydrophobicContact CB-CG1 4.4Å; V136-Y138 HydrophobicContact CB-CE2 4.23Å; V136-Y138 HydrophobicContact CG2-CD2 4.17Å; V136-Y138 HydrophobicContact CG2-CE2 3.55Å; V136-Y143 PolarHBondContact N-O 3.17Å; V136-Y143 PolarHBondContact O-N 2.9Å; V136-M151 HydrophobicContact CG2-SD 4.24Å; V136-P180 HydrophobicContact CB-CG 3.84Å; V136-P180 HydrophobicContact CG1-CG 3.67Å
137	Q	97	Very high	96.6	Very high	70 Å²	70	20.6 Å²	20.6	33%	0.327	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.7	177.6	-163.5	176.7	34.9	0	0	111.4	D141 Y182	Q137-D141 CarbonylContact C-O 3.56Å; Q137-D141 VanDerWaalsContact CA-O 3.28Å; Q137-D141 WeakPolarHBondContact CA-O 3.34Å; Q137-D141 WeakPolarHBondContact CG-O 3.11Å; Q137-Y182 HydrophobicContact CB-CE1 4.21Å; Q137-Y182 PolarHBondContact N-OH 3.18Å; Q137-Y182 WeakPolarHBondContact O-CE1 3.45Å; Q137-Y182 PolarHBondContact O-OH 3.32Å
138	Y	97.8	Very high	97	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	130.5	163.9	-63	-75.1	0	0	0	109.1	V136 G140 D141 Y143 M151 W167 P180 A188 N190 V207 I218	V136-Y138 HydrophobicContact CB-CE2 4.23Å; V136-Y138 HydrophobicContact CG2-CD2 4.17Å; V136-Y138 HydrophobicContact CG2-CE2 3.55Å; Y138-G140 PolarHBondContact O-N 2.87Å; Y138-G140 VanDerWaalsContact O-N 3.12Å; Y138-D141 PolarHBondContact N-O 2.72Å; Y138-D141 PolarHBondContact O-N 2.85Å; Y138-Y143 AromaticContact CD2-CD2 3.74Å; Y138-Y143 HydrophobicContact CD2-CD2 3.74Å; Y138-Y143 HydrophobicContact CD2-CE2 4.07Å; Y138-Y143 HydrophobicContact CD2-CG 4.4Å; Y138-Y143 HydrophobicContact CG-CD2 4.49Å; Y138-Y143 HydrophobicContact CG-CE2 4.45Å; Y138-M151 HydrophobicContact CD2-CE 4.09Å; Y138-M151 HydrophobicContact CD2-SD 4.2Å; Y138-M151 HydrophobicContact CE2-CE 3.93Å; Y138-M151 HydrophobicContact CE2-SD 3.59Å; Y138-M151 VanDerWaalsContact CE2-SD 3.59Å; Y138-W167 HydrophobicContact CE1-CH2 4.02Å; Y138-W167 HydrophobicContact CE1-CZ2 4.22Å; Y138-W167 HydrophobicContact CE2-CH2 4.42Å; Y138-W167 AromaticContact CE2-CZ2 3.91Å; Y138-W167 HydrophobicContact CE2-CZ2 3.91Å; Y138-W167 AromaticContact CZ-CH2 3.93Å; Y138-W167 AromaticContact CZ-CZ2 3.65Å; Y138-P180 HydrophobicContact CE1-CB 4.47Å; Y138-A188 HydrophobicContact CD1-CB 3.56Å; Y138-A188 HydrophobicContact CE1-CB 3.63Å; Y138-N190 PolarHBondContact OH-ND2 2.78Å; Y138-V207 HydrophobicContact CD1-CB 3.92Å; Y138-V207 HydrophobicContact CD1-CG1 4.09Å; Y138-V207 HydrophobicContact CD1-CG2 3.75Å; Y138-V207 HydrophobicContact CE1-CB 4.44Å; Y138-V207 HydrophobicContact CE1-CG2 3.91Å; Y138-I218 HydrophobicContact CD2-CG2 4.25Å; Y138-I218 HydrophobicContact CG-CG2 4.05Å
139	K	96.3	Very high	97	Very high	15 Å²	15	17.4 Å²	17.4	7%	0.065	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	34.8	179.4	-55.6	-159.1	175.2	-150.6	0	114.7	D141 V207 P208 P209 K210 K211 E216 T217 H219	K139-D141 VanDerWaalsContact C-N 3.25Å; K139-D141 PolarHBondContact O-N 2.85Å; K139-V207 HydrophobicContact CG-CG1 4.23Å; K139-P208 WeakPolarHBondContact CG-O 3.32Å; K139-P209 WeakPolarHBondContact CA-O 3.38Å; K139-K210 WeakPolarHBondContact CD-O 3.23Å; K139-K210 PolarHBondContact NZ-O 2.84Å; K139-K211 HydrophobicContact CB-CG 3.81Å; K139-K211 HydrophobicContact CD-CB 4.45Å; K139-K211 HydrophobicContact CD-CG 3.81Å; K139-E216 IonicContact NZ-OE2 2.97Å; K139-E216 PolarHBondContact NZ-OE2 2.95Å; K139-T217 VanDerWaalsContact CD-O 3.24Å; K139-T217 WeakPolarHBondContact CD-O 3.26Å; K139-H219 WeakPolarHBondContact CE-O 3.47Å; K139-H219 PolarHBondContact NZ-O 3Å
140	G	93	Very high	97	Very high	48 Å²	48	19 Å²	19	50%	0.495	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-10.7	-177.4	0	0	0	0	0	115.6	Y138	Y138-G140 PolarHBondContact O-N 2.87Å; Y138-G140 VanDerWaalsContact O-N 3.12Å
141	D	96.2	Very high	97	Very high	26 Å²	26	19 Å²	19	14%	0.139	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	152.8	173.8	-71.1	-24.5	0	0	0	111.2	Q137 Y138 K139 Y143 K153 K211	Q137-D141 CarbonylContact C-O 3.56Å; Q137-D141 VanDerWaalsContact CA-O 3.28Å; Q137-D141 WeakPolarHBondContact CA-O 3.34Å; Q137-D141 WeakPolarHBondContact CG-O 3.11Å; Y138-D141 PolarHBondContact N-O 2.72Å; Y138-D141 PolarHBondContact O-N 2.85Å; K139-D141 VanDerWaalsContact C-N 3.25Å; K139-D141 PolarHBondContact O-N 2.85Å; D141-Y143 HydrophobicContact CB-CD2 4.39Å; D141-Y143 HydrophobicContact CB-CE2 3.54Å; D141-K153 HydrophobicContact CB-CD 4.42Å; D141-K153 VanDerWaalsContact CG-CE 3.43Å; D141-K153 IonicContact OD1-NZ 2.75Å; D141-K153 PolarHBondContact OD1-NZ 2.99Å; D141-K153 VanDerWaalsContact OD2-CE 3.25Å; D141-K153 WeakPolarHBondContact OD2-CE 3.25Å; D141-K153 IonicContact OD2-NZ 2.71Å; D141-K153 PolarHBondContact OD2-NZ 2.92Å; D141-K211 IonicContact OD1-NZ 3.06Å; D141-K211 PolarHBondContact OD1-NZ 2.78Å; D141-K211 WeakPolarHBondContact OD2-CE 3.11Å; D141-K211 IonicContact OD2-NZ 3.68Å; D141-K211 PolarHBondContact OD2-NZ 3.05Å
142	Y	97.3	Very high	97.1	Very high	47 Å²	47	19 Å²	19	18%	0.184	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.1	174.1	-64.8	-87.3	0	0	0	111.4	V154 I156 V530	Y142-V154 PolarHBondContact O-N 2.8Å; Y142-I156 HydrophobicContact CD1-CG2 4.3Å; Y142-I156 HydrophobicContact CD2-CD1 3.94Å; Y142-I156 HydrophobicContact CD2-CG1 4.32Å; Y142-I156 HydrophobicContact CD2-CG2 3.65Å; Y142-I156 HydrophobicContact CE2-CD1 3.72Å; Y142-I156 HydrophobicContact CE2-CG2 4.45Å; Y142-I156 HydrophobicContact CG-CG2 3.56Å; Y142-V530 HydrophobicContact CE1-CG2 3.69Å; Y142-V530 HydrophobicContact CE2-CG1 4.41Å; Y142-V530 VanDerWaalsContact OH-CG1 3.24Å; Y142-V530 WeakPolarHBondContact OH-CG1 3.39Å; Y142-V530 WeakPolarHBondContact OH-CG2 3.37Å
143	Y	98.3	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.9	179.9	-58.9	-96.2	0	0	0	109.7	F135 V136 Y138 D141 M151 N152 K153 V165 T217	F135-Y143 CarbonylContact C-O 3.6Å; F135-Y143 WeakPolarHBondContact CA-O 3.28Å; V136-Y143 PolarHBondContact N-O 3.17Å; V136-Y143 PolarHBondContact O-N 2.9Å; Y138-Y143 AromaticContact CD2-CD2 3.74Å; Y138-Y143 HydrophobicContact CD2-CD2 3.74Å; Y138-Y143 HydrophobicContact CD2-CE2 4.07Å; Y138-Y143 HydrophobicContact CD2-CG 4.4Å; Y138-Y143 HydrophobicContact CG-CD2 4.49Å; Y138-Y143 HydrophobicContact CG-CE2 4.45Å; D141-Y143 HydrophobicContact CB-CD2 4.39Å; D141-Y143 HydrophobicContact CB-CE2 3.54Å; Y143-M151 HydrophobicContact CD1-CB 4.33Å; Y143-M151 HydrophobicContact CD1-CE 4.5Å; Y143-N152 CarbonylContact C-O 3.42Å; Y143-N152 VanDerWaalsContact CA-O 3.32Å; Y143-N152 WeakPolarHBondContact CA-O 3.48Å; Y143-K153 HydrophobicContact CD1-CB 3.69Å; Y143-K153 HydrophobicContact CD1-CG 4.2Å; Y143-K153 HydrophobicContact CE1-CB 3.55Å; Y143-K153 HydrophobicContact CE1-CD 4.13Å; Y143-K153 HydrophobicContact CE1-CG 3.83Å; Y143-V165 HydrophobicContact CD1-CG2 4.32Å; Y143-V165 HydrophobicContact CE1-CB 4.47Å; Y143-V165 HydrophobicContact CE1-CG2 3.75Å; Y143-T217 WeakPolarHBondContact OH-CA 3.46Å; Y143-T217 WeakPolarHBondContact OH-CB 3.27Å
144	M	98.2	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.3	163.1	-54.9	-48.2	-59.2	0	0	108.7	V44 L66 L83 T131 N134 F135 M151 N152 V154	V44-M144 HydrophobicContact CB-CE 3.48Å; V44-M144 VanDerWaalsContact CB-CE 3.48Å; V44-M144 HydrophobicContact CG1-CE 3.63Å; V44-M144 HydrophobicContact CG2-CE 3.47Å; V44-M144 VanDerWaalsContact CG2-CE 3.47Å; L66-M144 HydrophobicContact CD1-CE 4.15Å; L66-M144 HydrophobicContact CD1-CG 4.43Å; L66-M144 HydrophobicContact CD1-SD 4.47Å; L66-M144 HydrophobicContact CD2-CE 4.36Å; L66-M144 HydrophobicContact CD2-CG 4.12Å; L66-M144 HydrophobicContact CD2-SD 3.77Å; L66-M144 HydrophobicContact CG-CE 3.98Å; L66-M144 HydrophobicContact CG-SD 4.05Å; L83-M144 HydrophobicContact CD1-CG 4.13Å; L83-M144 HydrophobicContact CD2-CB 4.16Å; L83-M144 HydrophobicContact CD2-CG 4.28Å; T131-M144 VanDerWaalsContact CB-C 3.43Å; T131-M144 VanDerWaalsContact CB-O 3.32Å; T131-M144 WeakPolarHBondContact CB-O 3.41Å; T131-M144 VanDerWaalsContact CG2-O 3.3Å; T131-M144 WeakPolarHBondContact CG2-O 3.37Å; T131-M144 WeakPolarHBondContact OG1-CB 3.34Å; N134-M144 WeakPolarHBondContact O-CA 3.43Å; F135-M144 HydrophobicContact CD1-CE 4.29Å; F135-M144 HydrophobicContact CD1-SD 3.45Å; F135-M144 WeakPolarHBondContact CD1-SD 3.49Å; F135-M144 HydrophobicContact CD2-CE 3.74Å; F135-M144 HydrophobicContact CD2-SD 4.02Å; F135-M144 HydrophobicContact CE1-CE 4.17Å; F135-M144 HydrophobicContact CE1-SD 3.28Å; F135-M144 WeakPolarHBondContact CE1-SD 3.41Å; F135-M144 HydrophobicContact CE2-CE 3.59Å; F135-M144 HydrophobicContact CE2-SD 3.86Å; F135-M144 HydrophobicContact CG-CE 4.09Å; F135-M144 HydrophobicContact CG-SD 3.82Å; F135-M144 HydrophobicContact CZ-CE 3.82Å; F135-M144 HydrophobicContact CZ-SD 3.5Å; F135-M144 WeakPolarHBondContact CZ-SD 3.48Å; M144-M151 WeakPolarHBondContact O-CA 3.35Å; M144-N152 HydrophobicContact CB-CB 4.27Å; M144-N152 PolarHBondContact N-O 2.87Å; M144-N152 PolarHBondContact O-N 2.86Å; M144-V154 HydrophobicContact CG-CB 4.48Å; M144-V154 HydrophobicContact CG-CG1 3.56Å; M144-V154 HydrophobicContact CG-CG2 4.09Å; M144-V154 HydrophobicContact SD-CG1 4.31Å; M144-V154 HydrophobicContact SD-CG2 3.89Å
145	S	97.8	Very high	97	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148	178.3	-154.2	0	0	0	0	112.4	T131 V133 N134	T131-S145 CarbonylContact C-O 3.47Å; V133-S145 WeakPolarHBondContact CB-O 3.45Å; V133-S145 PolarHBondContact N-O 2.84Å; V133-S145 VanDerWaalsContact N-O 3.1Å; N134-S145 PolarHBondContact N-O 3.37Å; N134-S145 PolarHBondContact O-N 3.28Å
146	T	96.9	Very high	96.9	Very high	20 Å²	20	23.1 Å²	23.1	12%	0.123	13%	0.125	C	C	.	.			trans	-121.4	-150.2	153.6	-177	0	0	0	0	106.5	N130 T131 T148	N130-T146 WeakPolarHBondContact O-CB 3.35Å; N130-T146 WeakPolarHBondContact O-CG2 3.44Å; T131-T146 HydrophobicContact CG2-CG2 4Å; T146-T148 HydrophobicContact CG2-CG2 3.92Å
147	E	96	Very high	96.8	Very high	58 Å²	58	28 Å²	28	27%	0.271	15%	0.148	S	C	.	.	S	Bend	trans	-109.1	26.9	-179.7	-55.1	-168	132.7	0	0	113.5	A176 Y237 H239	E147-A176 WeakPolarHBondContact CA-O 3.25Å; E147-Y237 PolarHBondContact OE1-OH 2.65Å; E147-Y237 WeakPolarHBondContact OE2-CE2 3.47Å; E147-Y237 PolarHBondContact OE2-OH 3.29Å; E147-H239 IonicContact OE1-CE1 3.16Å; E147-H239 IonicContact OE1-CG 2.68Å; E147-H239 IonicContact OE1-ND1 3.07Å; E147-H239 PolarHBondContact OE1-ND1 2.69Å
148	T	94.7	Very high	96.8	Very high	15 Å²	15	29.8 Å²	29.8	9%	0.092	16%	0.158	C	C	.	.	S	Bend	trans	-104.9	-178.1	176.4	73.4	0	0	0	0	111.3	M127 T128 T146 F150 A176	M127-T148 HydrophobicContact CG-CG2 3.87Å; M127-T148 HydrophobicContact SD-CG2 3.7Å; T128-T148 HydrophobicContact CG2-CG2 3.86Å; T128-T148 PolarHBondContact O-OG1 2.93Å; T128-T148 VanDerWaalsContact O-OG1 3.05Å; T146-T148 HydrophobicContact CG2-CG2 3.92Å; T148-F150 PolarHBondContact O-N 2.85Å; T148-F150 PolarHBondContact OG1-N 2.83Å; T148-A176 PolarHBondContact O-N 3.16Å
149	N	95.1	Very high	96.8	Very high	16 Å²	16	29.9 Å²	29.9	9%	0.086	16%	0.158	C	C	.	.	S	Bend	trans	-74.6	-7.7	172.9	63.4	-64.7	0	0	0	113.1	M127 D166 W167 N174	M127-N149 WeakPolarHBondContact CG-OD1 3.06Å; N149-D166 PolarHBondContact ND2-OD1 2.88Å; N149-D166 WeakPolarHBondContact O-CA 3.28Å; N149-W167 HydrophobicContact CB-CB 4.43Å; N149-W167 PolarHBondContact O-N 3.42Å; N149-N174 PolarHBondContact N-O 3.27Å
150	F	97.5	Very high	96.8	Very high	34 Å²	34	33.7 Å²	33.7	15%	0.149	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.2	-178.2	-64.2	-51.4	0	0	0	112.5	M127 D129 T131 T148 K164 V165 D166	M127-F150 HydrophobicContact CB-CD2 4.26Å; M127-F150 HydrophobicContact CB-CE2 3.88Å; M127-F150 HydrophobicContact CG-CD2 4.31Å; M127-F150 HydrophobicContact CG-CE2 4.39Å; D129-F150 HydrophobicContact CB-CB 3.83Å; D129-F150 HydrophobicContact CB-CD2 4.15Å; D129-F150 HydrophobicContact CB-CG 4.25Å; T131-F150 WeakPolarHBondContact CG2-O 3.23Å; T148-F150 PolarHBondContact O-N 2.85Å; T148-F150 PolarHBondContact OG1-N 2.83Å; F150-K164 VanDerWaalsContact CD1-CE 3.48Å; F150-V165 WeakPolarHBondContact CA-O 3.42Å; F150-D166 HydrophobicContact CD1-CB 3.85Å; F150-D166 HydrophobicContact CE1-CB 3.77Å
151	M	97.9	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	155.8	167.8	-64.2	-174.1	-60.7	0	0	109.5	V136 Y138 Y143 M144 V165 W167 I218	V136-M151 HydrophobicContact CG2-SD 4.24Å; Y138-M151 HydrophobicContact CD2-CE 4.09Å; Y138-M151 HydrophobicContact CD2-SD 4.2Å; Y138-M151 HydrophobicContact CE2-CE 3.93Å; Y138-M151 HydrophobicContact CE2-SD 3.59Å; Y138-M151 VanDerWaalsContact CE2-SD 3.59Å; Y143-M151 HydrophobicContact CD1-CB 4.33Å; Y143-M151 HydrophobicContact CD1-CE 4.5Å; M144-M151 WeakPolarHBondContact O-CA 3.35Å; M151-V165 HydrophobicContact CE-CG1 4.32Å; M151-V165 PolarHBondContact N-O 3.47Å; M151-V165 PolarHBondContact O-N 3.48Å; M151-W167 HydrophobicContact CE-CD2 4.28Å; M151-W167 VanDerWaalsContact CE-CE2 3.43Å; M151-W167 HydrophobicContact CE-CH2 4.48Å; M151-W167 HydrophobicContact CE-CZ2 3.56Å; M151-W167 VanDerWaalsContact CE-NE1 3.33Å; M151-W167 HydrophobicContact SD-CZ2 3.88Å; M151-W167 PolarHBondContact SD-NE1 2.89Å; M151-I218 HydrophobicContact CE-CD1 4.35Å; M151-I218 HydrophobicContact CE-CG2 4.13Å
152	N	98.3	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112	174.7	-68.9	-81	0	0	0	109.3	L83 D129 T131 Y143 M144 R161 E163	L83-N152 HydrophobicContact CD1-CB 4.12Å; L83-N152 HydrophobicContact CD2-CB 4.02Å; D129-N152 PolarHBondContact O-ND2 3.38Å; T131-N152 WeakPolarHBondContact CG2-ND2 3.32Å; T131-N152 PolarHBondContact OG1-ND2 3.23Å; Y143-N152 CarbonylContact C-O 3.42Å; Y143-N152 VanDerWaalsContact CA-O 3.32Å; Y143-N152 WeakPolarHBondContact CA-O 3.48Å; M144-N152 HydrophobicContact CB-CB 4.27Å; M144-N152 PolarHBondContact N-O 2.87Å; M144-N152 PolarHBondContact O-N 2.86Å; N152-R161 HydrophobicContact CB-CG 4.12Å; N152-R161 WeakPolarHBondContact OD1-CD 3.31Å; N152-E163 CarbonylContact C-O 3.54Å
153	K	98	Very high	97	Very high	35 Å²	35	38.9 Å²	38.9	15%	0.152	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.1	172	-172.2	176	162.7	169.2	0	109.3	D141 Y143 R161 T162 E163	D141-K153 HydrophobicContact CB-CD 4.42Å; D141-K153 VanDerWaalsContact CG-CE 3.43Å; D141-K153 IonicContact OD1-NZ 2.75Å; D141-K153 PolarHBondContact OD1-NZ 2.99Å; D141-K153 VanDerWaalsContact OD2-CE 3.25Å; D141-K153 WeakPolarHBondContact OD2-CE 3.25Å; D141-K153 IonicContact OD2-NZ 2.71Å; D141-K153 PolarHBondContact OD2-NZ 2.92Å; Y143-K153 HydrophobicContact CD1-CB 3.69Å; Y143-K153 HydrophobicContact CD1-CG 4.2Å; Y143-K153 HydrophobicContact CE1-CB 3.55Å; Y143-K153 HydrophobicContact CE1-CD 4.13Å; Y143-K153 HydrophobicContact CE1-CG 3.83Å; K153-R161 CarbonylContact O-C 3.6Å; K153-R161 WeakPolarHBondContact O-CA 3.48Å; K153-T162 WeakPolarHBondContact CG-OG1 3.39Å; K153-T162 PolarHBondContact O-N 3.35Å; K153-T162 PolarHBondContact O-OG1 3.03Å; K153-E163 HydrophobicContact CB-CB 4.08Å; K153-E163 PolarHBondContact N-O 2.91Å
154	V	97.7	Very high	96.9	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.6	-176.6	-70	0	0	0	0	112.6	L66 L83 F135 Y142 M144 I156 E160	L66-V154 HydrophobicContact CD2-CG1 4.15Å; L83-V154 HydrophobicContact CD1-CG1 3.94Å; F135-V154 HydrophobicContact CD1-CG2 4.36Å; F135-V154 HydrophobicContact CE1-CG2 4.06Å; Y142-V154 PolarHBondContact O-N 2.8Å; M144-V154 HydrophobicContact CG-CB 4.48Å; M144-V154 HydrophobicContact CG-CG1 3.56Å; M144-V154 HydrophobicContact CG-CG2 4.09Å; M144-V154 HydrophobicContact SD-CG1 4.31Å; M144-V154 HydrophobicContact SD-CG2 3.89Å; V154-I156 HydrophobicContact CG2-CG2 4.39Å; V154-I156 PolarHBondContact O-N 2.84Å; V154-E160 CarbonylContact C-O 3.59Å; V154-E160 VanDerWaalsContact CA-O 3.26Å; V154-E160 WeakPolarHBondContact CA-O 3.32Å
155	D	97.3	Very high	96.9	Very high	66 Å²	66	41.7 Å²	41.7	35%	0.353	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	112.6	159.7	-175.7	-48.6	0	0	0	107.5	E157 M158 L159 E160 T162	D155-E157 VanDerWaalsContact C-N 3.28Å; D155-E157 PolarHBondContact O-N 3.39Å; D155-E157 WeakPolarHBondContact OD1-CA 3.44Å; D155-E157 WeakPolarHBondContact OD1-CB 3.45Å; D155-E157 PolarHBondContact OD1-N 2.7Å; D155-M158 HydrophobicContact CB-CB 4.32Å; D155-M158 PolarHBondContact OD1-N 3.08Å; D155-L159 WeakPolarHBondContact O-CA 3.1Å; D155-L159 PolarHBondContact O-N 2.92Å; D155-E160 PolarHBondContact N-O 2.85Å; D155-E160 PolarHBondContact O-N 3.28Å; D155-T162 HydrophobicContact CB-CG2 4.09Å
156	I	96.7	Very high	96.8	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.118	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-22.3	-176.2	59.5	166.4	0	0	0	112.9	Y40 L42 Q68 F135 Y142 V154 V530	Y40-I156 HydrophobicContact CD2-CD1 4.35Å; L42-I156 HydrophobicContact CD1-CB 3.81Å; L42-I156 HydrophobicContact CD1-CD1 4.4Å; L42-I156 HydrophobicContact CD1-CG2 3.63Å; Q68-I156 PolarHBondContact NE2-O 3.45Å; F135-I156 HydrophobicContact CE1-CG2 4.46Å; Y142-I156 HydrophobicContact CD1-CG2 4.3Å; Y142-I156 HydrophobicContact CD2-CD1 3.94Å; Y142-I156 HydrophobicContact CD2-CG1 4.32Å; Y142-I156 HydrophobicContact CD2-CG2 3.65Å; Y142-I156 HydrophobicContact CE2-CD1 3.72Å; Y142-I156 HydrophobicContact CE2-CG2 4.45Å; Y142-I156 HydrophobicContact CG-CG2 3.56Å; V154-I156 HydrophobicContact CG2-CG2 4.39Å; V154-I156 PolarHBondContact O-N 2.84Å; I156-V530 HydrophobicContact CD1-CB 4.32Å; I156-V530 HydrophobicContact CD1-CG1 3.81Å; I156-V530 HydrophobicContact CD1-CG2 4.34Å
157	E	95.7	Very high	96.9	Very high	106 Å²	106	41.7 Å²	41.7	50%	0.495	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-46	176.5	-63.7	-166.7	172.5	0	0	109.4	Y40 Q68 K79 D155	Y40-E157 HydrophobicContact CE2-CG 4.25Å; Q68-E157 PolarHBondContact NE2-O 2.92Å; K79-E157 WeakPolarHBondContact CE-O 3.18Å; K79-E157 PolarHBondContact NZ-O 2.95Å; D155-E157 VanDerWaalsContact C-N 3.28Å; D155-E157 PolarHBondContact O-N 3.39Å; D155-E157 WeakPolarHBondContact OD1-CA 3.44Å; D155-E157 WeakPolarHBondContact OD1-CB 3.45Å; D155-E157 PolarHBondContact OD1-N 2.7Å
158	M	95.9	Very high	96.8	Very high	107 Å²	107	42 Å²	42	53%	0.527	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-14.4	-177.1	-62.7	-61.7	-179	0	0	114.3	D155 E160	D155-M158 HydrophobicContact CB-CB 4.32Å; D155-M158 PolarHBondContact OD1-N 3.08Å; M158-E160 VanDerWaalsContact C-N 3.25Å; M158-E160 HydrophobicContact CB-CB 4.26Å; M158-E160 HydrophobicContact CB-CG 3.93Å; M158-E160 PolarHBondContact O-N 2.91Å
159	L	97.4	Very high	96.9	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	36.5	-169.2	-56.7	-177.9	0	0	0	112.9	L42 L66 Q68 K79 K81 D155	L42-L159 HydrophobicContact CD2-CD2 4.29Å; L66-L159 HydrophobicContact CB-CB 4.47Å; L66-L159 HydrophobicContact CB-CD1 4.26Å; L66-L159 HydrophobicContact CB-CD2 4.27Å; L66-L159 HydrophobicContact CD2-CB 4.45Å; L66-L159 HydrophobicContact CD2-CD2 4.33Å; Q68-L159 HydrophobicContact CB-CD1 3.93Å; Q68-L159 HydrophobicContact CB-CD2 4.18Å; Q68-L159 HydrophobicContact CB-CG 4.35Å; K79-L159 HydrophobicContact CG-CD1 4.08Å; K81-L159 HydrophobicContact CB-CB 3.96Å; K81-L159 HydrophobicContact CB-CD1 4.44Å; D155-L159 WeakPolarHBondContact O-CA 3.1Å; D155-L159 PolarHBondContact O-N 2.92Å
160	E	96.9	Very high	96.9	Very high	95 Å²	95	51 Å²	51	44%	0.444	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.9	-176.6	-70.6	-168.1	164.3	0	0	112.3	K81 V154 D155 M158 T162	K81-E160 HydrophobicContact CD-CG 4.37Å; K81-E160 VanDerWaalsContact NZ-CG 3.27Å; K81-E160 IonicContact NZ-OE1 3.63Å; K81-E160 PolarHBondContact NZ-OE1 2.95Å; V154-E160 CarbonylContact C-O 3.59Å; V154-E160 VanDerWaalsContact CA-O 3.26Å; V154-E160 WeakPolarHBondContact CA-O 3.32Å; D155-E160 PolarHBondContact N-O 2.85Å; D155-E160 PolarHBondContact O-N 3.28Å; M158-E160 VanDerWaalsContact C-N 3.25Å; M158-E160 HydrophobicContact CB-CB 4.26Å; M158-E160 HydrophobicContact CB-CG 3.93Å; M158-E160 PolarHBondContact O-N 2.91Å; E160-T162 PolarHBondContact O-N 2.93Å
161	R	97.4	Very high	96.9	Very high	65 Å²	65	50.2 Å²	50.2	25%	0.245	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.7	169.5	-177.1	-168.9	84.8	174.5	9.3	109.5	L83 Q84 D86 N152 K153	L83-R161 HydrophobicContact CD1-CB 4.08Å; Q84-R161 PolarHBondContact O-NE 2.9Å; Q84-R161 PolarHBondContact O-NH1 3.07Å; D86-R161 IonicContact OD1-CZ 2.67Å; D86-R161 IonicContact OD1-NH1 3.11Å; D86-R161 PolarHBondContact OD1-NH1 3.49Å; D86-R161 IonicContact OD1-NH2 3.2Å; N152-R161 HydrophobicContact CB-CG 4.12Å; N152-R161 WeakPolarHBondContact OD1-CD 3.31Å; K153-R161 CarbonylContact O-C 3.6Å; K153-R161 WeakPolarHBondContact O-CA 3.48Å
162	T	96.8	Very high	96.7	Very high	82 Å²	82	54.1 Å²	54.1	50%	0.503	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-36.4	173.9	64.6	0	0	0	0	112	K153 D155 E160	K153-T162 WeakPolarHBondContact CG-OG1 3.39Å; K153-T162 PolarHBondContact O-N 3.35Å; K153-T162 PolarHBondContact O-OG1 3.03Å; D155-T162 HydrophobicContact CB-CG2 4.09Å; E160-T162 PolarHBondContact O-N 2.93Å
163	E	96.1	Very high	96.5	Very high	82 Å²	82	54.4 Å²	54.4	38%	0.383	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	146.6	-174.4	-168.8	-178.5	174.4	0	0	111.4	N152 K153 V165 T217	N152-E163 CarbonylContact C-O 3.54Å; K153-E163 HydrophobicContact CB-CB 4.08Å; K153-E163 PolarHBondContact N-O 2.91Å; E163-V165 HydrophobicContact CG-CG2 4.4Å; E163-T217 WeakPolarHBondContact OE2-CG2 3.44Å
164	K	97.4	Very high	96.3	Very high	55 Å²	55	56 Å²	56	24%	0.239	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125	167.2	176.6	174.4	178.3	165.6	0	109.3	D86 D129 F150	D86-K164 WeakPolarHBondContact OD2-CD 3.44Å; D86-K164 IonicContact OD2-NZ 3.47Å; D86-K164 PolarHBondContact OD2-NZ 3.19Å; D129-K164 HydrophobicContact CB-CD 4.46Å; D129-K164 WeakPolarHBondContact OD2-CD 3.22Å; D129-K164 WeakPolarHBondContact OD2-CE 3.42Å; D129-K164 IonicContact OD2-NZ 3.68Å; D129-K164 PolarHBondContact OD2-NZ 2.67Å; F150-K164 VanDerWaalsContact CD1-CE 3.48Å
165	V	97.4	Very high	96.1	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.024	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.9	-178	-178.4	0	0	0	0	109.8	Y143 F150 M151 E163 F170 T217 I218	Y143-V165 HydrophobicContact CD1-CG2 4.32Å; Y143-V165 HydrophobicContact CE1-CB 4.47Å; Y143-V165 HydrophobicContact CE1-CG2 3.75Å; F150-V165 WeakPolarHBondContact CA-O 3.42Å; M151-V165 HydrophobicContact CE-CG1 4.32Å; M151-V165 PolarHBondContact N-O 3.47Å; M151-V165 PolarHBondContact O-N 3.48Å; E163-V165 HydrophobicContact CG-CG2 4.4Å; V165-F170 HydrophobicContact CG1-CE2 3.94Å; V165-T217 HydrophobicContact CG2-CG2 3.76Å; V165-I218 HydrophobicContact CG1-CD1 3.95Å; V165-I218 HydrophobicContact CG1-CG1 3.95Å
166	D	97	Very high	96.1	Very high	21 Å²	21	52.7 Å²	52.7	11%	0.112	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.6	-179.2	178.9	-3.9	0	0	0	109.2	N149 F150 S168 K169 F170	N149-D166 PolarHBondContact ND2-OD1 2.88Å; N149-D166 WeakPolarHBondContact O-CA 3.28Å; F150-D166 HydrophobicContact CD1-CB 3.85Å; F150-D166 HydrophobicContact CE1-CB 3.77Å; D166-S168 PolarHBondContact O-N 3.08Å; D166-S168 WeakPolarHBondContact OD1-CB 3.41Å; D166-S168 PolarHBondContact OD1-N 3.25Å; D166-S168 PolarHBondContact OD1-OG 3.46Å; D166-S168 PolarHBondContact OD2-OG 3.23Å; D166-K169 HydrophobicContact CB-CD 4.01Å; D166-K169 HydrophobicContact CB-CG 4.02Å; D166-K169 WeakPolarHBondContact O-CB 3.48Å; D166-K169 PolarHBondContact O-N 2.82Å; D166-K169 VanDerWaalsContact O-N 3.15Å; D166-F170 VanDerWaalsContact O-CD2 3.23Å; D166-F170 WeakPolarHBondContact O-CD2 3.28Å; D166-F170 WeakPolarHBondContact O-CE2 3.23Å
167	W	96.9	Very high	96.2	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-51.8	-37.3	178.5	-81.3	106.3	0	0	0	113	Y138 N149 M151 K169 F170 I171 V173 A176 I205 V207 I218 A221	Y138-W167 HydrophobicContact CE1-CH2 4.02Å; Y138-W167 HydrophobicContact CE1-CZ2 4.22Å; Y138-W167 HydrophobicContact CE2-CH2 4.42Å; Y138-W167 AromaticContact CE2-CZ2 3.91Å; Y138-W167 HydrophobicContact CE2-CZ2 3.91Å; Y138-W167 AromaticContact CZ-CH2 3.93Å; Y138-W167 AromaticContact CZ-CZ2 3.65Å; N149-W167 HydrophobicContact CB-CB 4.43Å; N149-W167 PolarHBondContact O-N 3.42Å; M151-W167 HydrophobicContact CE-CD2 4.28Å; M151-W167 VanDerWaalsContact CE-CE2 3.43Å; M151-W167 HydrophobicContact CE-CH2 4.48Å; M151-W167 HydrophobicContact CE-CZ2 3.56Å; M151-W167 VanDerWaalsContact CE-NE1 3.33Å; M151-W167 HydrophobicContact SD-CZ2 3.88Å; M151-W167 PolarHBondContact SD-NE1 2.89Å; W167-K169 PolarHBondContact O-N 2.67Å; W167-K169 VanDerWaalsContact O-N 3.16Å; W167-F170 PolarHBondContact O-N 3.2Å; W167-I171 HydrophobicContact CE3-CD1 3.74Å; W167-I171 HydrophobicContact CE3-CG1 4.05Å; W167-I171 HydrophobicContact CZ3-CD1 3.96Å; W167-I171 PolarHBondContact O-N 3.11Å; W167-V173 HydrophobicContact CB-CG2 3.67Å; W167-V173 HydrophobicContact CG-CG2 4.35Å; W167-A176 HydrophobicContact CD2-CB 4.46Å; W167-A176 HydrophobicContact CZ2-CB 4.4Å; W167-I205 HydrophobicContact CH2-CG2 4.09Å; W167-I205 HydrophobicContact CZ3-CG2 3.7Å; W167-V207 HydrophobicContact CH2-CG2 3.78Å; W167-V207 HydrophobicContact CZ3-CG2 4.05Å; W167-I218 HydrophobicContact CD2-CD1 3.72Å; W167-I218 HydrophobicContact CE3-CD1 3.37Å; W167-I218 HydrophobicContact CG-CD1 4.34Å; W167-I218 HydrophobicContact CH2-CD1 4.24Å; W167-I218 HydrophobicContact CZ3-CD1 3.66Å; W167-A221 HydrophobicContact CZ3-CB 4.17Å
168	S	94.5	Very high	96.3	Very high	64 Å²	64	46.7 Å²	46.7	45%	0.448	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-67.1	-17.1	-174.8	73.5	0	0	0	0	113.6	D166 F170 I171	D166-S168 PolarHBondContact O-N 3.08Å; D166-S168 WeakPolarHBondContact OD1-CB 3.41Å; D166-S168 PolarHBondContact OD1-N 3.25Å; D166-S168 PolarHBondContact OD1-OG 3.46Å; D166-S168 PolarHBondContact OD2-OG 3.23Å; S168-F170 VanDerWaalsContact C-N 3.29Å; S168-I171 WeakPolarHBondContact CA-O 3.39Å
169	K	96.4	Very high	96.4	Very high	160 Å²	160	43 Å²	43	70%	0.696	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-75.9	-16.3	173.1	-63.6	-177.8	-177.5	176.8	0	113.4	D166 W167	D166-K169 HydrophobicContact CB-CD 4.01Å; D166-K169 HydrophobicContact CB-CG 4.02Å; D166-K169 WeakPolarHBondContact O-CB 3.48Å; D166-K169 PolarHBondContact O-N 2.82Å; D166-K169 VanDerWaalsContact O-N 3.15Å; W167-K169 PolarHBondContact O-N 2.67Å; W167-K169 VanDerWaalsContact O-N 3.16Å
170	F	96.9	Very high	96.5	Very high	60 Å²	60	43.4 Å²	43.4	26%	0.263	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-39.5	-174.9	-57	-87.3	0	0	0	112.3	V165 D166 W167 S168 T217 I218 H219	V165-F170 HydrophobicContact CG1-CE2 3.94Å; D166-F170 VanDerWaalsContact O-CD2 3.23Å; D166-F170 WeakPolarHBondContact O-CD2 3.28Å; D166-F170 WeakPolarHBondContact O-CE2 3.23Å; W167-F170 PolarHBondContact O-N 3.2Å; S168-F170 VanDerWaalsContact C-N 3.29Å; F170-T217 WeakPolarHBondContact CZ-OG1 3.33Å; F170-I218 HydrophobicContact CB-CD1 4.3Å; F170-I218 HydrophobicContact CB-CG1 4.43Å; F170-I218 HydrophobicContact CD1-CG1 4.11Å; F170-I218 HydrophobicContact CD2-CD1 3.42Å; F170-I218 VanDerWaalsContact CD2-CD1 3.42Å; F170-I218 HydrophobicContact CD2-CG1 3.45Å; F170-I218 VanDerWaalsContact CD2-CG1 3.45Å; F170-I218 HydrophobicContact CE1-CG1 4.22Å; F170-I218 HydrophobicContact CE2-CD1 3.87Å; F170-I218 HydrophobicContact CE2-CG1 3.58Å; F170-I218 HydrophobicContact CG-CD1 3.93Å; F170-I218 HydrophobicContact CG-CG1 3.73Å; F170-I218 HydrophobicContact CZ-CG1 3.97Å; F170-H219 AromaticContact CE1-CD2 3.75Å; F170-H219 AromaticContact CE1-CE1 3.64Å; F170-H219 AromaticContact CE1-CG 3.77Å; F170-H219 AromaticContact CE1-ND1 3.7Å; F170-H219 AromaticContact CE1-NE2 3.65Å
171	I	96.5	Very high	96.6	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.087	21%	0.209	C	C	.	.	S	Bend	trans	-144.7	154.5	-178	54.7	171.7	0	0	0	110.9	W167 S168 V173 I205 A221 V223	W167-I171 HydrophobicContact CE3-CD1 3.74Å; W167-I171 HydrophobicContact CE3-CG1 4.05Å; W167-I171 HydrophobicContact CZ3-CD1 3.96Å; W167-I171 PolarHBondContact O-N 3.11Å; S168-I171 WeakPolarHBondContact CA-O 3.39Å; I171-V173 VanDerWaalsContact C-N 3.31Å; I171-V173 HydrophobicContact CD1-CG1 4Å; I171-V173 HydrophobicContact CD1-CG2 4.16Å; I171-V173 HydrophobicContact CG1-CG1 4.22Å; I171-V173 HydrophobicContact CG1-CG2 3.98Å; I171-V173 PolarHBondContact O-N 2.99Å; I171-I205 HydrophobicContact CD1-CB 4.25Å; I171-I205 HydrophobicContact CD1-CD1 3.86Å; I171-I205 HydrophobicContact CD1-CG1 3.73Å; I171-I205 HydrophobicContact CD1-CG2 3.55Å; I171-A221 HydrophobicContact CD1-CB 4.44Å; I171-A221 HydrophobicContact CG2-CB 4.09Å; I171-A221 WeakPolarHBondContact CG2-O 3.23Å; I171-V223 HydrophobicContact CB-CG2 4.27Å; I171-V223 HydrophobicContact CD1-CG2 4.43Å
172	A	93.4	Very high	96.6	Very high	82 Å²	82	38.8 Å²	38.8	68%	0.678	21%	0.208	S	C	*	.	S	Bend	trans	-77.6	73.6	-176.4	0	0	0	0	0	112.7	S194	A172-S194 WeakPolarHBondContact O-CB 3.48Å
173	V	94.8	Very high	96.6	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.036	19%	0.193	C	C	.	.			trans	-131.3	148.7	176.1	-56.3	0	0	0	0	111.6	W167 I171 N193 N203 I205 V223	W167-V173 HydrophobicContact CB-CG2 3.67Å; W167-V173 HydrophobicContact CG-CG2 4.35Å; I171-V173 VanDerWaalsContact C-N 3.31Å; I171-V173 HydrophobicContact CD1-CG1 4Å; I171-V173 HydrophobicContact CD1-CG2 4.16Å; I171-V173 HydrophobicContact CG1-CG1 4.22Å; I171-V173 HydrophobicContact CG1-CG2 3.98Å; I171-V173 PolarHBondContact O-N 2.99Å; V173-N193 CarbonylContact C-O 3.44Å; V173-N193 WeakPolarHBondContact CA-O 3.32Å; V173-N203 HydrophobicContact CG1-CB 4.25Å; V173-I205 HydrophobicContact CG1-CD1 4.15Å; V173-I205 HydrophobicContact CG1-CG1 4.42Å; V173-I205 HydrophobicContact CG2-CD1 4.5Å; V173-V223 HydrophobicContact CG1-CG2 4.41Å
174	N	92.8	Very high	96.5	Very high	70 Å²	70	39.1 Å²	39.1	37%	0.374	22%	0.216	S	C	.	.	S	Bend	trans	-94.2	-15.7	177.3	-69.2	104.1	0	0	0	113	N149 N193 S194 Y195	N149-N174 PolarHBondContact N-O 3.27Å; N174-N193 PolarHBondContact N-O 3.13Å; N174-S194 VanDerWaalsContact OD1-CA 3.31Å; N174-S194 WeakPolarHBondContact OD1-CA 3.32Å; N174-Y195 HydrophobicContact CB-CD2 3.94Å; N174-Y195 HydrophobicContact CB-CE2 4Å; N174-Y195 WeakPolarHBondContact OD1-CD2 3.35Å; N174-Y195 PolarHBondContact OD1-N 2.73Å
175	G	93.9	Very high	96.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	166.4	178.4	0	0	0	0	0	110.5	G192 N193	G175-G192 WeakPolarHBondContact O-CA 3.45Å; G175-N193 PolarHBondContact N-OD1 3.39Å; G175-N193 PolarHBondContact O-N 3.5Å; G175-N193 PolarHBondContact O-OD1 3.14Å
176	A	97.3	Very high	96.3	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.6	172.2	0	0	0	0	0	109.6	E147 T148 W167 M191 I205	E147-A176 WeakPolarHBondContact CA-O 3.25Å; T148-A176 PolarHBondContact O-N 3.16Å; W167-A176 HydrophobicContact CD2-CB 4.46Å; W167-A176 HydrophobicContact CZ2-CB 4.4Å; A176-M191 CarbonylContact C-O 3.55Å; A176-M191 WeakPolarHBondContact CA-O 3.11Å; A176-I205 HydrophobicContact CB-CD1 4.05Å
177	T	98.3	Very high	96.3	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	24%	0.24	C	C	.	.			trans	-69.2	159.9	-179.1	80.7	0	0	0	0	112.1	H179 N190 M191 Y238 H239	T177-H179 PolarHBondContact O-N 2.74Å; T177-H179 PolarHBondContact OG1-N 3.2Å; T177-N190 PolarHBondContact N-OD1 2.91Å; T177-N190 PolarHBondContact O-ND2 3.06Å; T177-N190 PolarHBondContact O-OD1 3.3Å; T177-N190 PolarHBondContact OG1-OD1 2.98Å; T177-M191 HydrophobicContact CG2-CB 4.07Å; T177-M191 PolarHBondContact N-O 2.99Å; T177-Y238 HydrophobicContact CG2-CD2 3.72Å; T177-Y238 HydrophobicContact CG2-CE2 3.5Å; T177-Y238 VanDerWaalsContact CG2-CE2 3.5Å; T177-H239 WeakPolarHBondContact CB-O 3.45Å
178	A	98.2	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-83.3	7.5	170.6	0	0	0	0	0	113.5	V133 N134 P180	V133-A178 HydrophobicContact CB-CB 3.84Å; V133-A178 HydrophobicContact CG1-CB 3.49Å; V133-A178 VanDerWaalsContact CG1-CB 3.49Å; N134-A178 HydrophobicContact CB-CB 4.02Å; N134-A178 WeakPolarHBondContact CB-O 3.36Å; N134-A178 PolarHBondContact ND2-O 2.79Å; A178-P180 WeakPolarHBondContact O-CD 3.27Å
179	H	98.6	Very high	96.6	Very high	29 Å²	29	39 Å²	39	13%	0.134	22%	0.22	C	C	.	.			trans	-124.8	59.9	-176.1	-64.9	-79.9	0	0	0	112.4	T177 H239 F241 H310 H526	T177-H179 PolarHBondContact O-N 2.74Å; T177-H179 PolarHBondContact OG1-N 3.2Å; H179-H239 AromaticContact CD2-CD2 3.78Å; H179-H239 AromaticContact CD2-CE1 3.83Å; H179-H239 AromaticContact CD2-NE2 3.55Å; H179-H239 PolarHBondContact CD2-O 3.19Å; H179-H239 VanDerWaalsContact CD2-O 3.29Å; H179-H239 AromaticContact NE2-CD2 3.74Å; H179-H239 AromaticContact NE2-CE1 3.6Å; H179-H239 AromaticContact NE2-NE2 3.12Å; H179-H239 PolarHBondContact NE2-NE2 2.83Å; H179-H239 VanDerWaalsContact NE2-NE2 3.12Å; H179-F241 WeakPolarHBondContact O-CE1 3.27Å; H179-H310 AromaticContact CE1-CD2 3.86Å; H179-H310 AromaticContact CE1-NE2 3.99Å; H179-H310 AromaticContact NE2-NE2 3.98Å; H179-H526 AromaticContact CE1-CD2 3.68Å; H179-H526 AromaticContact CE1-CE1 3.38Å; H179-H526 PolarHBondContact CE1-CE1 2.86Å; H179-H526 AromaticContact CE1-CG 3.83Å; H179-H526 AromaticContact CE1-ND1 3.66Å; H179-H526 AromaticContact CE1-NE2 3.43Å; H179-H526 PolarHBondContact CE1-NE2 2.9Å; H179-H526 AromaticContact NE2-CD2 3.81Å; H179-H526 AromaticContact NE2-CE1 3.85Å; H179-H526 AromaticContact NE2-NE2 3.46Å; H179-H526 PolarHBondContact NE2-NE2 2.94Å
180	P	98.6	Very high	96.7	Very high	12 Å²	12	31.4 Å²	31.4	8%	0.078	19%	0.187	C	C	.	.			trans	-64.3	154.6	170	30.8	-36.7	0	0	0	111.5	V136 Y138 A178 Y182 Y189 N190	V136-P180 HydrophobicContact CB-CG 3.84Å; V136-P180 HydrophobicContact CG1-CG 3.67Å; Y138-P180 HydrophobicContact CE1-CB 4.47Å; A178-P180 WeakPolarHBondContact O-CD 3.27Å; P180-Y182 HydrophobicContact CB-CE1 4.4Å; P180-Y182 HydrophobicContact CG-CE1 4.34Å; P180-Y182 HydrophobicContact CG-CE2 4.4Å; P180-Y182 WeakPolarHBondContact CG-OH 3.31Å; P180-Y189 CarbonylContact C-O 3.59Å; P180-Y189 WeakPolarHBondContact CA-O 3.28Å; P180-Y189 VanDerWaalsContact CB-O 3.23Å; P180-Y189 WeakPolarHBondContact CB-O 3.42Å; P180-N190 HydrophobicContact CB-CB 4.02Å
181	H	98.6	Very high	96.7	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.046	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	157.6	168.7	-81.3	-91.5	0	0	0	111.8	A188 Y189 F241 M243 Q311 Y423 N427	H181-A188 CarbonylContact O-C 3.54Å; H181-A188 WeakPolarHBondContact O-CA 3.3Å; H181-Y189 PolarHBondContact N-O 2.92Å; H181-Y189 PolarHBondContact O-N 2.93Å; H181-F241 HydrophobicContact CB-CE2 4.42Å; H181-F241 HydrophobicContact CB-CZ 4.17Å; H181-F241 AromaticContact CD2-CE1 3.99Å; H181-F241 AromaticContact CD2-CE2 3.7Å; H181-F241 AromaticContact CD2-CZ 3.63Å; H181-F241 PolarHBondContact NE2-O 2.8Å; H181-M243 HydrophobicContact CB-CB 4Å; H181-M243 HydrophobicContact CB-CE 3.56Å; H181-M243 HydrophobicContact CB-CG 4.39Å; H181-M243 HydrophobicContact CB-SD 3.52Å; H181-M243 VanDerWaalsContact CB-SD 3.52Å; H181-Q311 PolarHBondContact CE1-OE1 3.04Å; H181-Q311 PolarHBondContact NE2-OE1 3.4Å; H181-Y423 VanDerWaalsContact CA-OH 3.24Å; H181-Y423 WeakPolarHBondContact CA-OH 3.28Å; H181-Y423 WeakPolarHBondContact CB-OH 3.43Å; H181-Y423 AromaticContact ND1-CE2 3.76Å; H181-Y423 AromaticContact ND1-CZ 3.76Å; H181-Y423 PolarHBondContact ND1-OH 3.04Å; H181-N427 PolarHBondContact ND1-OD1 3.35Å
182	Y	97.7	Very high	96.8	Very high	54 Å²	54	27.7 Å²	27.7	21%	0.212	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130	-177.5	-53.5	-68	0	0	0	111.3	Q137 P180 T187 A188 Y423	Q137-Y182 HydrophobicContact CB-CE1 4.21Å; Q137-Y182 PolarHBondContact N-OH 3.18Å; Q137-Y182 WeakPolarHBondContact O-CE1 3.45Å; Q137-Y182 PolarHBondContact O-OH 3.32Å; P180-Y182 HydrophobicContact CB-CE1 4.4Å; P180-Y182 HydrophobicContact CG-CE1 4.34Å; P180-Y182 HydrophobicContact CG-CE2 4.4Å; P180-Y182 WeakPolarHBondContact CG-OH 3.31Å; Y182-T187 WeakPolarHBondContact CA-O 3.27Å; Y182-A188 HydrophobicContact CD1-CB 3.76Å; Y182-A188 HydrophobicContact CE1-CB 3.7Å; Y182-Y423 HydrophobicContact CD2-CE1 4.32Å; Y182-Y423 PolarHBondContact N-OH 2.8Å
183	D	96.9	Very high	96.8	Very high	36 Å²	36	24.9 Å²	24.9	19%	0.193	14%	0.144	C	C	.	.			trans	-79.4	156.7	162.5	-84.5	-27.7	0	0	0	110.3	D185 G186 T187 Y189 K291	D183-D185 PolarHBondContact O-N 3Å; D183-G186 PolarHBondContact O-N 3.5Å; D183-T187 PolarHBondContact N-O 3.34Å; D183-Y189 WeakPolarHBondContact OD2-CE2 3.47Å; D183-K291 VanDerWaalsContact CG-NZ 3.32Å; D183-K291 IonicContact OD1-NZ 2.69Å; D183-K291 PolarHBondContact OD1-NZ 3.26Å; D183-K291 IonicContact OD2-NZ 2.73Å; D183-K291 PolarHBondContact OD2-NZ 3.1Å
184	P	94.5	Very high	96.8	Very high	134 Å²	134	25.8 Å²	25.8	87%	0.87	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.4	-177.3	-27.4	35.8	0	0	0	115.7	G186	P184-G186 VanDerWaalsContact C-N 3.26Å
185	D	95	Very high	96.8	Very high	100 Å²	100	26.2 Å²	26.2	54%	0.535	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.4	176.8	75.6	-17.5	0	0	0	113.3	D183 T187 P209	D183-D185 PolarHBondContact O-N 3Å; D185-T187 VanDerWaalsContact CG-OG1 3.29Å; D185-T187 WeakPolarHBondContact OD1-CB 3.49Å; D185-T187 PolarHBondContact OD1-N 3.3Å; D185-T187 PolarHBondContact OD1-OG1 3.28Å; D185-T187 PolarHBondContact OD2-OG1 2.97Å; D185-T187 VanDerWaalsContact OD2-OG1 3.04Å; D185-P209 WeakPolarHBondContact O-CB 3.38Å
186	G	95.5	Very high	96.4	Very high	31 Å²	31	28.1 Å²	28.1	32%	0.32	17%	0.167	S	C	.	.	S	Bend	trans	94.5	2.4	-175.8	0	0	0	0	0	114.5	D183 P184 A188 P209	D183-G186 PolarHBondContact O-N 3.5Å; P184-G186 VanDerWaalsContact C-N 3.26Å; G186-A188 PolarHBondContact O-N 2.83Å; G186-P209 WeakPolarHBondContact O-CA 3.36Å
187	T	97.5	Very high	95.8	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	21%	0.212	C	C	.	.			trans	-64.2	125.5	173.9	-61.8	0	0	0	0	108.3	Y182 D183 D185 Y189 R206 P209	Y182-T187 WeakPolarHBondContact CA-O 3.27Å; D183-T187 PolarHBondContact N-O 3.34Å; D185-T187 VanDerWaalsContact CG-OG1 3.29Å; D185-T187 WeakPolarHBondContact OD1-CB 3.49Å; D185-T187 PolarHBondContact OD1-N 3.3Å; D185-T187 PolarHBondContact OD1-OG1 3.28Å; D185-T187 PolarHBondContact OD2-OG1 2.97Å; D185-T187 VanDerWaalsContact OD2-OG1 3.04Å; T187-Y189 HydrophobicContact CG2-CD2 4.25Å; T187-Y189 HydrophobicContact CG2-CE2 3.62Å; T187-R206 HydrophobicContact CG2-CG 3.92Å; T187-P209 WeakPolarHBondContact OG1-CD 3.33Å
188	A	98.4	Very high	95.2	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.7	179.1	0	0	0	0	0	110.7	Y138 H181 Y182 G186 R206 V207	Y138-A188 HydrophobicContact CD1-CB 3.56Å; Y138-A188 HydrophobicContact CE1-CB 3.63Å; H181-A188 CarbonylContact O-C 3.54Å; H181-A188 WeakPolarHBondContact O-CA 3.3Å; Y182-A188 HydrophobicContact CD1-CB 3.76Å; Y182-A188 HydrophobicContact CE1-CB 3.7Å; G186-A188 PolarHBondContact O-N 2.83Å; A188-R206 CarbonylContact O-C 3.55Å; A188-R206 WeakPolarHBondContact O-CA 3.13Å; A188-V207 HydrophobicContact CB-CB 4.28Å; A188-V207 PolarHBondContact N-O 3.33Å; A188-V207 PolarHBondContact O-N 2.6Å
189	Y	98.6	Very high	94.9	Very high	6 Å²	6	46.8 Å²	46.8	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.8	170.9	-69.7	-92.3	0	0	0	108.9	P180 H181 D183 T187 I204 I205 R206 L224 F241 M243 I248 K291	P180-Y189 CarbonylContact C-O 3.59Å; P180-Y189 WeakPolarHBondContact CA-O 3.28Å; P180-Y189 VanDerWaalsContact CB-O 3.23Å; P180-Y189 WeakPolarHBondContact CB-O 3.42Å; H181-Y189 PolarHBondContact N-O 2.92Å; H181-Y189 PolarHBondContact O-N 2.93Å; D183-Y189 WeakPolarHBondContact OD2-CE2 3.47Å; T187-Y189 HydrophobicContact CG2-CD2 4.25Å; T187-Y189 HydrophobicContact CG2-CE2 3.62Å; Y189-I204 HydrophobicContact CD1-CG2 4.46Å; Y189-I205 CarbonylContact C-O 3.52Å; Y189-I205 VanDerWaalsContact CA-O 3.28Å; Y189-I205 WeakPolarHBondContact CA-O 3.34Å; Y189-R206 HydrophobicContact CD1-CB 4.24Å; Y189-R206 HydrophobicContact CD1-CG 4.42Å; Y189-R206 HydrophobicContact CE1-CB 4.08Å; Y189-R206 HydrophobicContact CE1-CG 3.96Å; Y189-L224 HydrophobicContact CE1-CD2 4Å; Y189-F241 WeakPolarHBondContact O-CZ 3.45Å; Y189-M243 HydrophobicContact CD2-SD 3.81Å; Y189-M243 HydrophobicContact CG-SD 4.15Å; Y189-I248 HydrophobicContact CD1-CD1 3.46Å; Y189-I248 VanDerWaalsContact CD1-CD1 3.46Å; Y189-I248 HydrophobicContact CE1-CD1 4.03Å; Y189-I248 HydrophobicContact CG-CD1 4.02Å; Y189-K291 HydrophobicContact CD1-CG 4.25Å; Y189-K291 HydrophobicContact CD2-CD 4.29Å; Y189-K291 HydrophobicContact CE1-CD 4.16Å; Y189-K291 HydrophobicContact CE1-CG 3.56Å; Y189-K291 HydrophobicContact CE2-CD 3.86Å; Y189-K291 HydrophobicContact CE2-CG 4.13Å; Y189-K291 VanDerWaalsContact CZ-CG 3.49Å
190	N	98.6	Very high	94.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	167.6	173.8	-157.4	-14.6	0	0	0	109.6	Y138 T177 P180 I205	Y138-N190 PolarHBondContact OH-ND2 2.78Å; T177-N190 PolarHBondContact N-OD1 2.91Å; T177-N190 PolarHBondContact O-ND2 3.06Å; T177-N190 PolarHBondContact O-OD1 3.3Å; T177-N190 PolarHBondContact OG1-OD1 2.98Å; P180-N190 HydrophobicContact CB-CB 4.02Å; N190-I205 HydrophobicContact CB-CB 4.37Å; N190-I205 PolarHBondContact N-O 2.88Å; N190-I205 PolarHBondContact O-N 2.9Å
191	M	97.9	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.1	168.3	-72.2	-158.7	71.7	0	0	110.4	A176 T177 N203 Y238 F241 F250	A176-M191 CarbonylContact C-O 3.55Å; A176-M191 WeakPolarHBondContact CA-O 3.11Å; T177-M191 HydrophobicContact CG2-CB 4.07Å; T177-M191 PolarHBondContact N-O 2.99Å; M191-N203 WeakPolarHBondContact CA-O 3.36Å; M191-Y238 HydrophobicContact CB-CD2 4.24Å; M191-Y238 HydrophobicContact CB-CE2 3.57Å; M191-Y238 HydrophobicContact CE-CE2 4.46Å; M191-F241 HydrophobicContact CB-CD1 4.11Å; M191-F241 HydrophobicContact CG-CB 3.99Å; M191-F241 HydrophobicContact CG-CD1 3.58Å; M191-F241 HydrophobicContact CG-CD2 4.26Å; M191-F241 HydrophobicContact CG-CE1 4.09Å; M191-F241 HydrophobicContact CG-CG 3.68Å; M191-F241 HydrophobicContact SD-CB 3.48Å; M191-F241 WeakPolarHBondContact SD-CB 3.49Å; M191-F241 HydrophobicContact SD-CD1 4.23Å; M191-F241 HydrophobicContact SD-CG 3.87Å; M191-F250 HydrophobicContact CE-CB 3.78Å; M191-F250 HydrophobicContact CE-CD1 4.22Å; M191-F250 HydrophobicContact CE-CD2 3.39Å; M191-F250 HydrophobicContact CE-CE2 4Å; M191-F250 HydrophobicContact CE-CG 3.52Å; M191-F250 HydrophobicContact SD-CB 3.81Å; M191-F250 HydrophobicContact SD-CD2 3.53Å; M191-F250 VanDerWaalsContact SD-CD2 3.53Å; M191-F250 HydrophobicContact SD-CE2 4.42Å; M191-F250 HydrophobicContact SD-CG 3.93Å
192	G	97.1	Very high	94.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	170	172.4	0	0	0	0	0	111.3	G175 Y202 N203 Y238	G175-G192 WeakPolarHBondContact O-CA 3.45Å; G192-Y202 CarbonylContact O-C 3.58Å; G192-N203 PolarHBondContact N-O 2.9Å; G192-N203 WeakPolarHBondContact O-CA 3.36Å; G192-N203 PolarHBondContact O-N 2.8Å; G192-Y238 VanDerWaalsContact CA-OH 3.3Å; G192-Y238 WeakPolarHBondContact CA-OH 3.45Å; G192-Y238 PolarHBondContact O-OH 2.87Å; G192-Y238 VanDerWaalsContact O-OH 3.09Å
193	N	94.7	Very high	94.7	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152	-176.5	55.4	-61.5	0	0	0	110.5	V173 N174 G175 Y195 C201 Y238	V173-N193 CarbonylContact C-O 3.44Å; V173-N193 WeakPolarHBondContact CA-O 3.32Å; N174-N193 PolarHBondContact N-O 3.13Å; G175-N193 PolarHBondContact N-OD1 3.39Å; G175-N193 PolarHBondContact O-N 3.5Å; G175-N193 PolarHBondContact O-OD1 3.14Å; N193-Y195 HydrophobicContact CB-CE1 4.36Å; N193-Y195 WeakPolarHBondContact ND2-CE2 3.37Å; N193-Y195 PolarHBondContact ND2-OH 3.01Å; N193-C201 CarbonylContact C-O 3.46Å; N193-C201 WeakPolarHBondContact CA-O 3.43Å; N193-Y238 PolarHBondContact N-OH 3.46Å
194	S	94.6	Very high	94.7	Very high	26 Å²	26	42.2 Å²	42.2	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.5	167.9	59.9	0	0	0	0	111.2	A172 N174 S200 C201 N203	A172-S194 WeakPolarHBondContact O-CB 3.48Å; N174-S194 VanDerWaalsContact OD1-CA 3.31Å; N174-S194 WeakPolarHBondContact OD1-CA 3.32Å; S194-S200 WeakPolarHBondContact O-CA 3.15Å; S194-C201 PolarHBondContact N-O 2.81Å; S194-C201 PolarHBondContact O-N 2.85Å; S194-N203 VanDerWaalsContact CB-ND2 3.31Å; S194-N203 WeakPolarHBondContact CB-ND2 3.45Å; S194-N203 PolarHBondContact N-ND2 2.78Å; S194-N203 PolarHBondContact OG-ND2 3.04Å
195	Y	91.7	Very high	94.9	Very high	79 Å²	79	35.8 Å²	35.8	31%	0.31	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.1	179.6	-52.2	-49.1	0	0	0	109.6	N174 N193 P235 L259	N174-Y195 HydrophobicContact CB-CD2 3.94Å; N174-Y195 HydrophobicContact CB-CE2 4Å; N174-Y195 WeakPolarHBondContact OD1-CD2 3.35Å; N174-Y195 PolarHBondContact OD1-N 2.73Å; N193-Y195 HydrophobicContact CB-CE1 4.36Å; N193-Y195 WeakPolarHBondContact ND2-CE2 3.37Å; N193-Y195 PolarHBondContact ND2-OH 3.01Å; Y195-P235 HydrophobicContact CE1-CG 3.89Å; Y195-L259 HydrophobicContact CD1-CD1 3.55Å; Y195-L259 HydrophobicContact CD1-CD2 4.26Å; Y195-L259 HydrophobicContact CE1-CD1 3.78Å; Y195-L259 HydrophobicContact CE1-CD2 3.73Å; Y195-L259 HydrophobicContact CE1-CG 4.39Å; Y195-L259 HydrophobicContact CE2-CD2 4.15Å; Y195-L259 HydrophobicContact CG-CD1 4.07Å
196	G	87.2	Confident	95.1	Very high	40 Å²	40	35.3 Å²	35.3	41%	0.412	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	-178.3	-180	0	0	0	0	0	113.4	R198 G199	G196-R198 PolarHBondContact O-N 2.69Å; G196-G199 PolarHBondContact N-O 2.79Å; G196-G199 PolarHBondContact O-N 3.45Å
197	P	83.8	Confident	95.2	Very high	150 Å²	150	34 Å²	34	97%	0.974	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.5	-178.1	-25.5	34.5	0	0	0	114.2	G199	P197-G199 VanDerWaalsContact C-N 3.34Å
198	R	85.3	Confident	95.2	Very high	237 Å²	237	35.6 Å²	35.6	89%	0.894	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.1	178.7	-63.7	-176.5	-176.8	170.7	1.2	113.5	G196	G196-R198 PolarHBondContact O-N 2.69Å
199	G	92.2	Very high	95.1	Very high	11 Å²	11	37.2 Å²	37.2	11%	0.113	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.2	-159.4	-174.4	0	0	0	0	0	112.2	G196 P197	G196-G199 PolarHBondContact N-O 2.79Å; G196-G199 PolarHBondContact O-N 3.45Å; P197-G199 VanDerWaalsContact C-N 3.34Å
200	S	95.6	Very high	94.9	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140.7	-178.8	-50.2	0	0	0	0	111.1	S194 S229 K232 L259	S194-S200 WeakPolarHBondContact O-CA 3.15Å; S200-S229 VanDerWaalsContact O-CB 3.32Å; S200-S229 WeakPolarHBondContact O-CB 3.47Å; S200-S229 PolarHBondContact O-N 2.67Å; S200-K232 WeakPolarHBondContact CB-O 3.16Å; S200-K232 PolarHBondContact N-O 3.32Å; S200-K232 PolarHBondContact OG-O 2.97Å; S200-L259 WeakPolarHBondContact OG-CD1 3.22Å
201	C	96.9	Very high	94.8	Very high	37 Å²	37	47.9 Å²	47.9	25%	0.25	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148	172.6	-62.4	0	0	0	0	111	N193 S194 I227	N193-C201 CarbonylContact C-O 3.46Å; N193-C201 WeakPolarHBondContact CA-O 3.43Å; S194-C201 PolarHBondContact N-O 2.81Å; S194-C201 PolarHBondContact O-N 2.85Å; C201-I227 CarbonylContact C-O 3.45Å; C201-I227 VanDerWaalsContact CA-O 3.26Å; C201-I227 WeakPolarHBondContact CA-O 3.31Å
202	Y	97.6	Very high	94.6	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.3	166.2	-40.3	-76.9	0	0	0	108.1	G192 S226 I227 S229 P235 S236 Y238 F250 E252	G192-Y202 CarbonylContact O-C 3.58Å; Y202-S226 CarbonylContact O-C 3.57Å; Y202-S226 WeakPolarHBondContact O-CA 3.42Å; Y202-I227 HydrophobicContact CD2-CB 4.24Å; Y202-I227 HydrophobicContact CD2-CG2 4.23Å; Y202-I227 WeakPolarHBondContact CD2-O 3.46Å; Y202-I227 PolarHBondContact N-O 2.72Å; Y202-I227 PolarHBondContact O-N 2.8Å; Y202-S229 PolarHBondContact OH-OG 3.46Å; Y202-P235 HydrophobicContact CE1-CB 3.89Å; Y202-P235 WeakPolarHBondContact OH-CA 3.48Å; Y202-S236 WeakPolarHBondContact OH-CB 3.35Å; Y202-S236 PolarHBondContact OH-N 3Å; Y202-Y238 HydrophobicContact CD1-CD1 4.07Å; Y202-Y238 AromaticContact CD1-CE1 3.6Å; Y202-Y238 HydrophobicContact CD1-CE1 3.6Å; Y202-Y238 HydrophobicContact CE1-CD1 4.25Å; Y202-Y238 HydrophobicContact CE1-CE1 4.09Å; Y202-F250 HydrophobicContact CD1-CE1 4.06Å; Y202-F250 HydrophobicContact CD1-CE2 4.41Å; Y202-F250 AromaticContact CD1-CZ 3.64Å; Y202-F250 HydrophobicContact CD1-CZ 3.64Å; Y202-F250 HydrophobicContact CD2-CD1 4.13Å; Y202-F250 AromaticContact CD2-CE1 3.24Å; Y202-F250 HydrophobicContact CD2-CE1 3.24Å; Y202-F250 AromaticContact CD2-CZ 3.72Å; Y202-F250 HydrophobicContact CD2-CZ 3.72Å; Y202-F250 HydrophobicContact CE1-CE1 4.28Å; Y202-F250 AromaticContact CE1-CZ 3.76Å; Y202-F250 HydrophobicContact CE1-CZ 3.76Å; Y202-F250 AromaticContact CE2-CE1 3.47Å; Y202-F250 HydrophobicContact CE2-CE1 3.47Å; Y202-F250 VanDerWaalsContact CE2-CE1 3.47Å; Y202-F250 AromaticContact CE2-CZ 3.8Å; Y202-F250 HydrophobicContact CE2-CZ 3.8Å; Y202-F250 HydrophobicContact CG-CD1 4.36Å; Y202-F250 AromaticContact CG-CE1 3.54Å; Y202-F250 HydrophobicContact CG-CE1 3.54Å; Y202-F250 HydrophobicContact CG-CE2 4.48Å; Y202-F250 AromaticContact CG-CZ 3.61Å; Y202-F250 HydrophobicContact CG-CZ 3.61Å; Y202-F250 AromaticContact CZ-CZ 3.83Å; Y202-E252 HydrophobicContact CE2-CG 4.25Å; Y202-E252 WeakPolarHBondContact CE2-OE1 3.33Å; Y202-E252 PolarHBondContact OH-OE1 2.55Å
203	N	98.1	Very high	94.4	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.011	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.6	-173.2	-59.4	-55.1	0	0	0	109.2	V173 M191 G192 S194 V223 C225 S226	V173-N203 HydrophobicContact CG1-CB 4.25Å; M191-N203 WeakPolarHBondContact CA-O 3.36Å; G192-N203 PolarHBondContact N-O 2.9Å; G192-N203 WeakPolarHBondContact O-CA 3.36Å; G192-N203 PolarHBondContact O-N 2.8Å; S194-N203 VanDerWaalsContact CB-ND2 3.31Å; S194-N203 WeakPolarHBondContact CB-ND2 3.45Å; S194-N203 PolarHBondContact N-ND2 2.78Å; S194-N203 PolarHBondContact OG-ND2 3.04Å; N203-V223 HydrophobicContact CB-CG1 3.87Å; N203-V223 HydrophobicContact CB-CG2 4.23Å; N203-C225 CarbonylContact C-O 3.5Å; N203-C225 VanDerWaalsContact CA-O 3.31Å; N203-C225 WeakPolarHBondContact CA-O 3.45Å; N203-S226 WeakPolarHBondContact OD1-CB 3.41Å; N203-S226 PolarHBondContact OD1-OG 2.8Å
204	I	98.4	Very high	94.1	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.1	166.9	-66.1	171.7	0	0	0	107.2	Y189 V223 L224 C225 I248 V289	Y189-I204 HydrophobicContact CD1-CG2 4.46Å; I204-V223 CarbonylContact O-C 3.56Å; I204-V223 WeakPolarHBondContact O-CA 3.4Å; I204-L224 HydrophobicContact CG2-CB 4.23Å; I204-L224 HydrophobicContact CG2-CD2 4.2Å; I204-L224 PolarHBondContact O-N 2.75Å; I204-C225 HydrophobicContact CB-CB 4.24Å; I204-C225 HydrophobicContact CD1-CB 4.15Å; I204-C225 PolarHBondContact N-O 2.86Å; I204-I248 HydrophobicContact CD1-CB 4.02Å; I204-I248 HydrophobicContact CD1-CD1 4.48Å; I204-I248 HydrophobicContact CD1-CG2 3.53Å; I204-I248 HydrophobicContact CG1-CG2 4.06Å; I204-I248 HydrophobicContact CG2-CD1 3.48Å; I204-I248 VanDerWaalsContact CG2-CD1 3.48Å; I204-V289 HydrophobicContact CD1-CB 3.58Å; I204-V289 HydrophobicContact CD1-CG1 3.78Å; I204-V289 HydrophobicContact CD1-CG2 3.51Å
205	I	98.3	Very high	93.8	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.9	-178.6	-57.5	167.4	0	0	0	108.2	W167 I171 V173 A176 Y189 N190 V207 Q222	W167-I205 HydrophobicContact CH2-CG2 4.09Å; W167-I205 HydrophobicContact CZ3-CG2 3.7Å; I171-I205 HydrophobicContact CD1-CB 4.25Å; I171-I205 HydrophobicContact CD1-CD1 3.86Å; I171-I205 HydrophobicContact CD1-CG1 3.73Å; I171-I205 HydrophobicContact CD1-CG2 3.55Å; V173-I205 HydrophobicContact CG1-CD1 4.15Å; V173-I205 HydrophobicContact CG1-CG1 4.42Å; V173-I205 HydrophobicContact CG2-CD1 4.5Å; A176-I205 HydrophobicContact CB-CD1 4.05Å; Y189-I205 CarbonylContact C-O 3.52Å; Y189-I205 VanDerWaalsContact CA-O 3.28Å; Y189-I205 WeakPolarHBondContact CA-O 3.34Å; N190-I205 HydrophobicContact CB-CB 4.37Å; N190-I205 PolarHBondContact N-O 2.88Å; N190-I205 PolarHBondContact O-N 2.9Å; I205-V207 HydrophobicContact CG2-CG2 4.25Å; I205-Q222 WeakPolarHBondContact CA-O 3.33Å
206	R	98.3	Very high	93.9	Very high	90 Å²	90	67.5 Å²	67.5	34%	0.34	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.8	169.7	-179.7	-177.9	169.9	-168.5	-0.7	109.4	T187 A188 Y189 A221 Q222	T187-R206 HydrophobicContact CG2-CG 3.92Å; A188-R206 CarbonylContact O-C 3.55Å; A188-R206 WeakPolarHBondContact O-CA 3.13Å; Y189-R206 HydrophobicContact CD1-CB 4.24Å; Y189-R206 HydrophobicContact CD1-CG 4.42Å; Y189-R206 HydrophobicContact CE1-CB 4.08Å; Y189-R206 HydrophobicContact CE1-CG 3.96Å; R206-A221 CarbonylContact O-C 3.56Å; R206-A221 WeakPolarHBondContact O-CA 3.23Å; R206-Q222 PolarHBondContact N-O 3.18Å; R206-Q222 PolarHBondContact O-N 2.69Å
207	V	98.2	Very high	94.3	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.1	172.9	-173.4	0	0	0	0	108.7	Y138 K139 W167 A188 I205 A221	Y138-V207 HydrophobicContact CD1-CB 3.92Å; Y138-V207 HydrophobicContact CD1-CG1 4.09Å; Y138-V207 HydrophobicContact CD1-CG2 3.75Å; Y138-V207 HydrophobicContact CE1-CB 4.44Å; Y138-V207 HydrophobicContact CE1-CG2 3.91Å; K139-V207 HydrophobicContact CG-CG1 4.23Å; W167-V207 HydrophobicContact CH2-CG2 3.78Å; W167-V207 HydrophobicContact CZ3-CG2 4.05Å; A188-V207 HydrophobicContact CB-CB 4.28Å; A188-V207 PolarHBondContact N-O 3.33Å; A188-V207 PolarHBondContact O-N 2.6Å; I205-V207 HydrophobicContact CG2-CG2 4.25Å; V207-A221 HydrophobicContact CG2-CB 4.04Å
208	P	97.5	Very high	94.9	Very high	37 Å²	37	58.6 Å²	58.6	24%	0.24	29%	0.294	C	S	.	.			trans	-65.9	156.6	-179.3	26.2	-33	0	0	0	111.6	K139 K210 G220	K139-P208 WeakPolarHBondContact CG-O 3.32Å; P208-K210 PolarHBondContact O-N 2.84Å; P208-G220 VanDerWaalsContact CD-O 3.3Å; P208-G220 WeakPolarHBondContact CD-O 3.34Å
209	P	96.7	Very high	95.5	Very high	36 Å²	36	51.3 Å²	51.3	23%	0.234	27%	0.27	C	S	.	.	S	Bend	trans	-73	-26.9	-166	25.6	-34.4	0	0	0	114.9	K139 D185 G186 T187	K139-P209 WeakPolarHBondContact CA-O 3.38Å; D185-P209 WeakPolarHBondContact O-CB 3.38Å; G186-P209 WeakPolarHBondContact O-CA 3.36Å; T187-P209 WeakPolarHBondContact OG1-CD 3.33Å
210	K	94.6	Very high	95.6	Very high	161 Å²	161	53 Å²	53	70%	0.7	29%	0.287	S	S	*	.	S	Bend	trans	-127.6	150.5	-171	-64	-175.8	-178.3	-179.9	0	111.7	K139 P208	K139-K210 WeakPolarHBondContact CD-O 3.23Å; K139-K210 PolarHBondContact NZ-O 2.84Å; P208-K210 PolarHBondContact O-N 2.84Å
211	K	95.8	Very high	95.8	Very high	70 Å²	70	53.3 Å²	53.3	30%	0.304	29%	0.29	S	S	.	.			trans	-70.9	139.4	167.5	-60.2	178.1	-174.4	162.1	0	108.8	K139 D141 E216	K139-K211 HydrophobicContact CB-CG 3.81Å; K139-K211 HydrophobicContact CD-CB 4.45Å; K139-K211 HydrophobicContact CD-CG 3.81Å; D141-K211 IonicContact OD1-NZ 3.06Å; D141-K211 PolarHBondContact OD1-NZ 2.78Å; D141-K211 WeakPolarHBondContact OD2-CE 3.11Å; D141-K211 IonicContact OD2-NZ 3.68Å; D141-K211 PolarHBondContact OD2-NZ 3.05Å; K211-E216 WeakPolarHBondContact CA-OE2 3.26Å; K211-E216 HydrophobicContact CB-CB 4.18Å; K211-E216 WeakPolarHBondContact CD-O 3.21Å; K211-E216 WeakPolarHBondContact CE-O 3.01Å; K211-E216 HydrophobicContact CG-CB 4.14Å
212	K	93.4	Very high	95.8	Very high	185 Å²	185	57.2 Å²	57.2	80%	0.804	31%	0.305	S	S	*	.	S	Bend	trans	-84.7	-34.7	169.5	-61.7	-178.9	177.1	-179.6	0	110.9	E216	K212-E216 WeakPolarHBondContact CB-OE1 3.41Å; K212-E216 PolarHBondContact N-OE2 2.97Å
213	E	93.3	Very high	95.8	Very high	137 Å²	137	59.6 Å²	59.6	64%	0.64	32%	0.319	S	S	*	.	S	Bend	trans	-130.6	150.8	179.7	-62.5	-176.6	174.5	0	0	111.3	E216	E213-E216 HydrophobicContact CB-CG 4.3Å; E213-E216 PolarHBondContact O-N 2.97Å
214	P	89.6	Confident	95.7	Very high	135 Å²	135	61.3 Å²	61.3	88%	0.877	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	139.4	169.7	-22.5	33.6	0	0	0	111.2	E216	P214-E216 VanDerWaalsContact C-N 3.31Å; P214-E216 PolarHBondContact O-N 3.28Å
215	G	87.8	Confident	95.7	Very high	58 Å²	58	62 Å²	62	60%	0.598	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-9.6	-179.4	0	0	0	0	0	115.1	T217	G215-T217 PolarHBondContact O-N 3.05Å
216	E	93.8	Very high	95.6	Very high	25 Å²	25	65.2 Å²	65.2	12%	0.117	36%	0.355	C	S	.	.			trans	-60	131.9	169.2	-75.4	-169.5	170.5	0	0	111.1	K139 K211 K212 E213 P214 H219	K139-E216 IonicContact NZ-OE2 2.97Å; K139-E216 PolarHBondContact NZ-OE2 2.95Å; K211-E216 WeakPolarHBondContact CA-OE2 3.26Å; K211-E216 HydrophobicContact CB-CB 4.18Å; K211-E216 WeakPolarHBondContact CD-O 3.21Å; K211-E216 WeakPolarHBondContact CE-O 3.01Å; K211-E216 HydrophobicContact CG-CB 4.14Å; K212-E216 WeakPolarHBondContact CB-OE1 3.41Å; K212-E216 PolarHBondContact N-OE2 2.97Å; E213-E216 HydrophobicContact CB-CG 4.3Å; E213-E216 PolarHBondContact O-N 2.97Å; P214-E216 VanDerWaalsContact C-N 3.31Å; P214-E216 PolarHBondContact O-N 3.28Å; E216-H219 HydrophobicContact CB-CB 4.24Å; E216-H219 HydrophobicContact CG-CB 3.93Å
217	T	95.6	Very high	95.5	Very high	2 Å²	2	61 Å²	61	1%	0.012	34%	0.34	C	S	.	.	S	Bend	trans	-91.4	-99.3	167	54.9	0	0	0	0	110.6	K139 Y143 E163 V165 F170 G215 H219	K139-T217 VanDerWaalsContact CD-O 3.24Å; K139-T217 WeakPolarHBondContact CD-O 3.26Å; Y143-T217 WeakPolarHBondContact OH-CA 3.46Å; Y143-T217 WeakPolarHBondContact OH-CB 3.27Å; E163-T217 WeakPolarHBondContact OE2-CG2 3.44Å; V165-T217 HydrophobicContact CG2-CG2 3.76Å; F170-T217 WeakPolarHBondContact CZ-OG1 3.33Å; G215-T217 PolarHBondContact O-N 3.05Å; T217-H219 PolarHBondContact N-ND1 2.85Å
218	I	96.4	Very high	95.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.367	C	S	.	.	S	Bend	trans	-102.5	22.5	-179.8	57.4	167.9	0	0	0	112.3	Y138 M151 V165 W167 F170 G220 A221	Y138-I218 HydrophobicContact CD2-CG2 4.25Å; Y138-I218 HydrophobicContact CG-CG2 4.05Å; M151-I218 HydrophobicContact CE-CD1 4.35Å; M151-I218 HydrophobicContact CE-CG2 4.13Å; V165-I218 HydrophobicContact CG1-CD1 3.95Å; V165-I218 HydrophobicContact CG1-CG1 3.95Å; W167-I218 HydrophobicContact CD2-CD1 3.72Å; W167-I218 HydrophobicContact CE3-CD1 3.37Å; W167-I218 HydrophobicContact CG-CD1 4.34Å; W167-I218 HydrophobicContact CH2-CD1 4.24Å; W167-I218 HydrophobicContact CZ3-CD1 3.66Å; F170-I218 HydrophobicContact CB-CD1 4.3Å; F170-I218 HydrophobicContact CB-CG1 4.43Å; F170-I218 HydrophobicContact CD1-CG1 4.11Å; F170-I218 HydrophobicContact CD2-CD1 3.42Å; F170-I218 VanDerWaalsContact CD2-CD1 3.42Å; F170-I218 HydrophobicContact CD2-CG1 3.45Å; F170-I218 VanDerWaalsContact CD2-CG1 3.45Å; F170-I218 HydrophobicContact CE1-CG1 4.22Å; F170-I218 HydrophobicContact CE2-CD1 3.87Å; F170-I218 HydrophobicContact CE2-CG1 3.58Å; F170-I218 HydrophobicContact CG-CD1 3.93Å; F170-I218 HydrophobicContact CG-CG1 3.73Å; F170-I218 HydrophobicContact CZ-CG1 3.97Å; I218-G220 PolarHBondContact O-N 2.82Å; I218-A221 VanDerWaalsContact O-CB 3.23Å; I218-A221 WeakPolarHBondContact O-CB 3.39Å; I218-A221 PolarHBondContact O-N 2.96Å
219	H	96.5	Very high	95.3	Very high	84 Å²	84	62.9 Å²	62.9	39%	0.389	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	134.5	177.2	-69.7	84.6	0	0	0	111.4	K139 F170 E216 T217 A221	K139-H219 WeakPolarHBondContact CE-O 3.47Å; K139-H219 PolarHBondContact NZ-O 3Å; F170-H219 AromaticContact CE1-CD2 3.75Å; F170-H219 AromaticContact CE1-CE1 3.64Å; F170-H219 AromaticContact CE1-CG 3.77Å; F170-H219 AromaticContact CE1-ND1 3.7Å; F170-H219 AromaticContact CE1-NE2 3.65Å; E216-H219 HydrophobicContact CB-CB 4.24Å; E216-H219 HydrophobicContact CG-CB 3.93Å; T217-H219 PolarHBondContact N-ND1 2.85Å; H219-A221 VanDerWaalsContact C-N 3.33Å
220	G	96	Very high	95.1	Very high	46 Å²	46	65 Å²	65	47%	0.474	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	7.1	-174.3	0	0	0	0	0	114.5	P208 I218	P208-G220 VanDerWaalsContact CD-O 3.3Å; P208-G220 WeakPolarHBondContact CD-O 3.34Å; I218-G220 PolarHBondContact O-N 2.82Å
221	A	97.8	Very high	95	Very high	10 Å²	10	60.2 Å²	60.2	8%	0.083	35%	0.351	C	S	.	.			trans	-55.4	141.7	163.2	0	0	0	0	0	110.6	W167 I171 R206 V207 I218 H219	W167-A221 HydrophobicContact CZ3-CB 4.17Å; I171-A221 HydrophobicContact CD1-CB 4.44Å; I171-A221 HydrophobicContact CG2-CB 4.09Å; I171-A221 WeakPolarHBondContact CG2-O 3.23Å; R206-A221 CarbonylContact O-C 3.56Å; R206-A221 WeakPolarHBondContact O-CA 3.23Å; V207-A221 HydrophobicContact CG2-CB 4.04Å; I218-A221 VanDerWaalsContact O-CB 3.23Å; I218-A221 WeakPolarHBondContact O-CB 3.39Å; I218-A221 PolarHBondContact O-N 2.96Å; H219-A221 VanDerWaalsContact C-N 3.33Å
222	Q	97.4	Very high	94.9	Very high	119 Å²	119	63.6 Å²	63.6	56%	0.556	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.2	-177.6	-68.7	174.3	-9.2	0	0	110.4	I205 R206 L224	I205-Q222 WeakPolarHBondContact CA-O 3.33Å; R206-Q222 PolarHBondContact N-O 3.18Å; R206-Q222 PolarHBondContact O-N 2.69Å; Q222-L224 PolarHBondContact O-N 2.71Å
223	V	97.6	Very high	94.8	Very high	52 Å²	52	59.5 Å²	59.5	32%	0.315	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	110.5	163.1	175.6	0	0	0	0	107.3	I171 V173 N203 I204 C225 S226	I171-V223 HydrophobicContact CB-CG2 4.27Å; I171-V223 HydrophobicContact CD1-CG2 4.43Å; V173-V223 HydrophobicContact CG1-CG2 4.41Å; N203-V223 HydrophobicContact CB-CG1 3.87Å; N203-V223 HydrophobicContact CB-CG2 4.23Å; I204-V223 CarbonylContact O-C 3.56Å; I204-V223 WeakPolarHBondContact O-CA 3.4Å; V223-C225 WeakPolarHBondContact CG1-O 3.34Å; V223-S226 WeakPolarHBondContact CG1-OG 3.47Å
224	L	96.8	Very high	94.9	Very high	39 Å²	39	55.9 Å²	55.9	20%	0.204	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-38.9	179.9	177.5	64.5	0	0	0	111.6	Y189 I204 Q222 K291	Y189-L224 HydrophobicContact CE1-CD2 4Å; I204-L224 HydrophobicContact CG2-CB 4.23Å; I204-L224 HydrophobicContact CG2-CD2 4.2Å; I204-L224 PolarHBondContact O-N 2.75Å; Q222-L224 PolarHBondContact O-N 2.71Å; L224-K291 WeakPolarHBondContact CD2-O 3.38Å
225	C	97	Very high	95.2	Very high	13 Å²	13	49.6 Å²	49.6	9%	0.088	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	146.4	-178.4	-173.5	0	0	0	0	109.7	N203 I204 V223 V289 G294	N203-C225 CarbonylContact C-O 3.5Å; N203-C225 VanDerWaalsContact CA-O 3.31Å; N203-C225 WeakPolarHBondContact CA-O 3.45Å; I204-C225 HydrophobicContact CB-CB 4.24Å; I204-C225 HydrophobicContact CD1-CB 4.15Å; I204-C225 PolarHBondContact N-O 2.86Å; V223-C225 WeakPolarHBondContact CG1-O 3.34Å; C225-V289 HydrophobicContact CB-CG1 3.83Å; C225-G294 VanDerWaalsContact CB-O 3.31Å; C225-G294 WeakPolarHBondContact CB-O 3.41Å; C225-G294 PolarHBondContact SG-O 3.25Å
226	S	97.3	Very high	95.6	Very high	68 Å²	68	46.9 Å²	46.9	48%	0.476	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118	171.6	-65.1	0	0	0	0	109.8	Y202 N203 V223	Y202-S226 CarbonylContact O-C 3.57Å; Y202-S226 WeakPolarHBondContact O-CA 3.42Å; N203-S226 WeakPolarHBondContact OD1-CB 3.41Å; N203-S226 PolarHBondContact OD1-OG 2.8Å; V223-S226 WeakPolarHBondContact CG1-OG 3.47Å
227	I	96.6	Very high	95.7	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.5	178.1	-55.6	168.5	0	0	0	107.6	C201 Y202 F250 H287 V289 L296	C201-I227 CarbonylContact C-O 3.45Å; C201-I227 VanDerWaalsContact CA-O 3.26Å; C201-I227 WeakPolarHBondContact CA-O 3.31Å; Y202-I227 HydrophobicContact CD2-CB 4.24Å; Y202-I227 HydrophobicContact CD2-CG2 4.23Å; Y202-I227 WeakPolarHBondContact CD2-O 3.46Å; Y202-I227 PolarHBondContact N-O 2.72Å; Y202-I227 PolarHBondContact O-N 2.8Å; I227-F250 HydrophobicContact CD1-CB 4.31Å; I227-F250 HydrophobicContact CD1-CD1 4.07Å; I227-H287 HydrophobicContact CD1-CB 3.87Å; I227-V289 HydrophobicContact CD1-CG2 3.97Å; I227-V289 HydrophobicContact CG1-CG2 4.48Å; I227-L296 HydrophobicContact CD1-CD1 4.36Å; I227-L296 HydrophobicContact CG1-CD1 4.31Å
228	A	95.7	Very high	95.8	Very high	70 Å²	70	47.2 Å²	47.2	58%	0.579	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.6	176.1	0	0	0	0	0	110.4	T230	A228-T230 PolarHBondContact O-N 3.11Å
229	S	95.2	Very high	95.9	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.063	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-61.1	136.6	171.4	176.1	0	0	0	0	110.6	S200 Y202 E231 P235	S200-S229 VanDerWaalsContact O-CB 3.32Å; S200-S229 WeakPolarHBondContact O-CB 3.47Å; S200-S229 PolarHBondContact O-N 2.67Å; Y202-S229 PolarHBondContact OH-OG 3.46Å; S229-E231 WeakPolarHBondContact CB-O 3.34Å; S229-E231 PolarHBondContact O-N 3.48Å; S229-E231 PolarHBondContact OG-N 3.19Å; S229-E231 PolarHBondContact OG-O 3.31Å; S229-P235 WeakPolarHBondContact OG-CA 3.27Å
230	T	91.9	Very high	95.9	Very high	80 Å²	80	44.8 Å²	44.8	49%	0.491	25%	0.254	S	S	.	.	S	Bend	trans	-56.3	-39.9	172.8	-60.1	0	0	0	0	110.2	A228 E252	A228-T230 PolarHBondContact O-N 3.11Å; T230-E252 PolarHBondContact N-OE1 3.08Å; T230-E252 VanDerWaalsContact N-OE1 3.11Å; T230-E252 PolarHBondContact OG1-OE1 3.24Å; T230-E252 PolarHBondContact OG1-OE2 2.8Å
231	E	93.6	Very high	96.1	Very high	61 Å²	61	42.7 Å²	42.7	29%	0.285	23%	0.232	S	C	.	.	S	Bend	trans	-109	106.8	175	-72.9	-67.6	130.9	0	0	110.8	S229 M233 K234 Y282	S229-E231 WeakPolarHBondContact CB-O 3.34Å; S229-E231 PolarHBondContact O-N 3.48Å; S229-E231 PolarHBondContact OG-N 3.19Å; S229-E231 PolarHBondContact OG-O 3.31Å; E231-M233 VanDerWaalsContact C-N 3.27Å; E231-M233 PolarHBondContact O-N 3.32Å; E231-M233 VanDerWaalsContact O-N 3.09Å; E231-K234 HydrophobicContact CB-CB 3.9Å; E231-K234 WeakPolarHBondContact CB-O 3.08Å; E231-K234 CarbonylContact O-C 3.55Å; E231-K234 PolarHBondContact O-N 2.98Å; E231-K234 VanDerWaalsContact O-N 3.12Å; E231-Y282 HydrophobicContact CG-CE1 3.73Å
232	K	92.7	Very high	96.1	Very high	140 Å²	140	42.2 Å²	42.2	61%	0.609	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.3	-171.9	-69.8	-179.1	-179.6	176.4	0	114.9	S200	S200-K232 WeakPolarHBondContact CB-O 3.16Å; S200-K232 PolarHBondContact N-O 3.32Å; S200-K232 PolarHBondContact OG-O 2.97Å
233	M	92.5	Very high	96.2	Very high	99 Å²	99	36.7 Å²	36.7	49%	0.488	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	7.3	-176.4	-65.8	-58.1	-66.3	0	0	113.6	E231 L259	E231-M233 VanDerWaalsContact C-N 3.27Å; E231-M233 PolarHBondContact O-N 3.32Å; E231-M233 VanDerWaalsContact O-N 3.09Å; M233-L259 HydrophobicContact CE-CB 4.11Å; M233-L259 PolarHBondContact O-N 3.29Å
234	K	94.7	Very high	96.2	Very high	62 Å²	62	34.2 Å²	34.2	27%	0.27	19%	0.187	S	C	.	.	S	Bend	trans	-138	59.9	176.9	-52.3	179.6	-151.7	155.3	0	110.3	E231 K256 M257 K258	E231-K234 HydrophobicContact CB-CB 3.9Å; E231-K234 WeakPolarHBondContact CB-O 3.08Å; E231-K234 CarbonylContact O-C 3.55Å; E231-K234 PolarHBondContact O-N 2.98Å; E231-K234 VanDerWaalsContact O-N 3.12Å; K234-K256 HydrophobicContact CB-CB 4.27Å; K234-K256 WeakPolarHBondContact O-CD 3.44Å; K234-M257 WeakPolarHBondContact CA-O 3.29Å; K234-K258 HydrophobicContact CG-CG 4.42Å
235	P	96.4	Very high	96.2	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.013	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-57.7	154.9	175.8	26.9	-34.3	0	0	0	111.3	Y195 Y202 S229 M257 L259	Y195-P235 HydrophobicContact CE1-CG 3.89Å; Y202-P235 HydrophobicContact CE1-CB 3.89Å; Y202-P235 WeakPolarHBondContact OH-CA 3.48Å; S229-P235 WeakPolarHBondContact OG-CA 3.27Å; P235-M257 WeakPolarHBondContact CD-O 3.37Å; P235-M257 HydrophobicContact CG-CB 4.36Å; P235-M257 PolarHBondContact O-N 2.95Å; P235-L259 HydrophobicContact CG-CD1 4.21Å; P235-L259 HydrophobicContact CG-CD2 3.99Å; P235-L259 HydrophobicContact CG-CG 4.11Å
236	S	96.9	Very high	96.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-64.8	139.2	170.8	-171.5	0	0	0	0	110.2	Y202 Y238 Q253 V255	Y202-S236 WeakPolarHBondContact OH-CB 3.35Å; Y202-S236 PolarHBondContact OH-N 3Å; S236-Y238 WeakPolarHBondContact O-CD1 3.27Å; S236-Q253 VanDerWaalsContact OG-CG 3.24Å; S236-Q253 WeakPolarHBondContact OG-CG 3.42Å; S236-Q253 PolarHBondContact OG-N 3.44Å; S236-Q253 PolarHBondContact OG-O 3.48Å; S236-Q253 VanDerWaalsContact OG-O 3.07Å; S236-V255 CarbonylContact C-O 3.53Å; S236-V255 VanDerWaalsContact CA-O 3.31Å; S236-V255 WeakPolarHBondContact CA-O 3.45Å
237	Y	96	Very high	96.3	Very high	15 Å²	15	39.9 Å²	39.9	6%	0.059	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-70	141.5	154.5	175.5	-106.3	0	0	0	109	E147 H239 Q253 V255 M257 Y309	E147-Y237 PolarHBondContact OE1-OH 2.65Å; E147-Y237 WeakPolarHBondContact OE2-CE2 3.47Å; E147-Y237 PolarHBondContact OE2-OH 3.29Å; Y237-H239 HydrophobicContact CE1-CB 4.22Å; Y237-H239 PolarHBondContact OH-ND1 3.29Å; Y237-Q253 VanDerWaalsContact O-CG 3.22Å; Y237-Q253 WeakPolarHBondContact O-CG 3.48Å; Y237-Q253 PolarHBondContact O-NE2 2.88Å; Y237-V255 HydrophobicContact CD1-CG1 4.2Å; Y237-V255 HydrophobicContact CG-CG1 4.32Å; Y237-V255 PolarHBondContact N-O 3.03Å; Y237-M257 HydrophobicContact CD2-SD 4.3Å; Y237-Y309 HydrophobicContact CE1-CD1 4.1Å; Y237-Y309 AromaticContact CE1-CE1 3.82Å; Y237-Y309 HydrophobicContact CE1-CE1 3.82Å
238	Y	96.9	Very high	96.4	Very high	19 Å²	19	39.8 Å²	39.8	8%	0.075	20%	0.201	C	C	.	.			trans	-151.2	145.6	175.7	60.1	-83.7	0	0	0	108.4	T177 M191 G192 N193 Y202 S236 F250	T177-Y238 HydrophobicContact CG2-CD2 3.72Å; T177-Y238 HydrophobicContact CG2-CE2 3.5Å; T177-Y238 VanDerWaalsContact CG2-CE2 3.5Å; M191-Y238 HydrophobicContact CB-CD2 4.24Å; M191-Y238 HydrophobicContact CB-CE2 3.57Å; M191-Y238 HydrophobicContact CE-CE2 4.46Å; G192-Y238 VanDerWaalsContact CA-OH 3.3Å; G192-Y238 WeakPolarHBondContact CA-OH 3.45Å; G192-Y238 PolarHBondContact O-OH 2.87Å; G192-Y238 VanDerWaalsContact O-OH 3.09Å; N193-Y238 PolarHBondContact N-OH 3.46Å; Y202-Y238 HydrophobicContact CD1-CD1 4.07Å; Y202-Y238 AromaticContact CD1-CE1 3.6Å; Y202-Y238 HydrophobicContact CD1-CE1 3.6Å; Y202-Y238 HydrophobicContact CE1-CD1 4.25Å; Y202-Y238 HydrophobicContact CE1-CE1 4.09Å; S236-Y238 WeakPolarHBondContact O-CD1 3.27Å; Y238-F250 AromaticContact CD1-CE2 3.85Å; Y238-F250 HydrophobicContact CD1-CE2 3.85Å; Y238-F250 HydrophobicContact CD1-CZ 4.25Å; Y238-F250 HydrophobicContact CD2-CE2 4.27Å; Y238-F250 AromaticContact CG-CE2 3.7Å; Y238-F250 HydrophobicContact CG-CE2 3.7Å
239	H	97.7	Very high	96.6	Very high	19 Å²	19	36.5 Å²	36.5	9%	0.088	17%	0.173	C	C	.	.	S	Bend	trans	-117.6	-30.2	-171.7	-172.9	62.3	0	0	0	112.5	E147 T177 H179 Y237 Y309 H310	E147-H239 IonicContact OE1-CE1 3.16Å; E147-H239 IonicContact OE1-CG 2.68Å; E147-H239 IonicContact OE1-ND1 3.07Å; E147-H239 PolarHBondContact OE1-ND1 2.69Å; T177-H239 WeakPolarHBondContact CB-O 3.45Å; H179-H239 AromaticContact CD2-CD2 3.78Å; H179-H239 AromaticContact CD2-CE1 3.83Å; H179-H239 AromaticContact CD2-NE2 3.55Å; H179-H239 PolarHBondContact CD2-O 3.19Å; H179-H239 VanDerWaalsContact CD2-O 3.29Å; H179-H239 AromaticContact NE2-CD2 3.74Å; H179-H239 AromaticContact NE2-CE1 3.6Å; H179-H239 AromaticContact NE2-NE2 3.12Å; H179-H239 PolarHBondContact NE2-NE2 2.83Å; H179-H239 VanDerWaalsContact NE2-NE2 3.12Å; Y237-H239 HydrophobicContact CE1-CB 4.22Å; Y237-H239 PolarHBondContact OH-ND1 3.29Å; H239-Y309 HydrophobicContact CB-CD1 4.07Å; H239-Y309 WeakPolarHBondContact CB-O 3.21Å; H239-Y309 PolarHBondContact CD2-O 2.81Å; H239-H310 AromaticContact CD2-CD2 3.72Å; H239-H310 AromaticContact CD2-NE2 3.48Å; H239-H310 PolarHBondContact CD2-NE2 3Å; H239-H310 AromaticContact NE2-CD2 3.94Å; H239-H310 AromaticContact NE2-NE2 3.31Å; H239-H310 PolarHBondContact NE2-NE2 2.87Å
240	S	98.4	Very high	96.7	Very high	15 Å²	15	36.1 Å²	36.1	11%	0.105	17%	0.171	C	C	.	.			trans	-148.6	179.7	175.6	66	0	0	0	0	110.4	Y309 H310 Q311	S240-Y309 WeakPolarHBondContact CB-O 3.38Å; S240-Y309 PolarHBondContact N-O 3.48Å; S240-Y309 PolarHBondContact OG-O 3.17Å; S240-H310 WeakPolarHBondContact OG-CA 3.38Å; S240-Q311 PolarHBondContact OG-N 3.49Å
241	F	98.7	Very high	97	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	15%	0.149	C	C	.	.			trans	-148.7	164	-179.4	65.4	-81.3	0	0	0	110	H179 H181 Y189 M191 M243 I248	H179-F241 WeakPolarHBondContact O-CE1 3.27Å; H181-F241 HydrophobicContact CB-CE2 4.42Å; H181-F241 HydrophobicContact CB-CZ 4.17Å; H181-F241 AromaticContact CD2-CE1 3.99Å; H181-F241 AromaticContact CD2-CE2 3.7Å; H181-F241 AromaticContact CD2-CZ 3.63Å; H181-F241 PolarHBondContact NE2-O 2.8Å; Y189-F241 WeakPolarHBondContact O-CZ 3.45Å; M191-F241 HydrophobicContact CB-CD1 4.11Å; M191-F241 HydrophobicContact CG-CB 3.99Å; M191-F241 HydrophobicContact CG-CD1 3.58Å; M191-F241 HydrophobicContact CG-CD2 4.26Å; M191-F241 HydrophobicContact CG-CE1 4.09Å; M191-F241 HydrophobicContact CG-CG 3.68Å; M191-F241 HydrophobicContact SD-CB 3.48Å; M191-F241 WeakPolarHBondContact SD-CB 3.49Å; M191-F241 HydrophobicContact SD-CD1 4.23Å; M191-F241 HydrophobicContact SD-CG 3.87Å; F241-M243 HydrophobicContact CE2-CB 4.46Å; F241-I248 HydrophobicContact CD2-CG2 3.77Å; F241-I248 HydrophobicContact CE2-CG1 4.47Å; F241-I248 HydrophobicContact CE2-CG2 4.12Å
242	G	98.5	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	143.7	176.2	0	0	0	0	0	112.2	I248 I249	G242-I248 WeakPolarHBondContact O-CA 3.3Å; G242-I249 PolarHBondContact N-O 2.86Å; G242-I249 PolarHBondContact O-N 2.71Å
243	M	98.7	Very high	97.4	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.4	171.1	-169.1	178.4	80	0	0	111.1	H181 Y189 F241 I248 K291	H181-M243 HydrophobicContact CB-CB 4Å; H181-M243 HydrophobicContact CB-CE 3.56Å; H181-M243 HydrophobicContact CB-CG 4.39Å; H181-M243 HydrophobicContact CB-SD 3.52Å; H181-M243 VanDerWaalsContact CB-SD 3.52Å; Y189-M243 HydrophobicContact CD2-SD 3.81Å; Y189-M243 HydrophobicContact CG-SD 4.15Å; F241-M243 HydrophobicContact CE2-CB 4.46Å; M243-I248 HydrophobicContact CG-CG1 4.24Å; M243-K291 HydrophobicContact CG-CD 4Å; M243-K291 HydrophobicContact SD-CD 3.9Å
244	T	98.6	Very high	97.6	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	8%	0.084	C	C	.	.			trans	-107.4	-170.4	173.5	64.8	0	0	0	0	109.6	N246 Y247 I249 K291 A314 E316 I321	T244-N246 VanDerWaalsContact C-N 3.33Å; T244-N246 PolarHBondContact OG1-N 3.18Å; T244-Y247 PolarHBondContact N-O 3.2Å; T244-Y247 WeakPolarHBondContact OG1-CA 3.47Å; T244-Y247 WeakPolarHBondContact OG1-CB 3.44Å; T244-Y247 PolarHBondContact OG1-N 2.9Å; T244-Y247 PolarHBondContact OG1-O 3Å; T244-I249 HydrophobicContact CG2-CD1 3.74Å; T244-K291 PolarHBondContact O-NZ 3.19Å; T244-A314 HydrophobicContact CG2-CB 3.89Å; T244-E316 WeakPolarHBondContact CB-OE1 3Å; T244-E316 HydrophobicContact CG2-CG 4.25Å; T244-E316 PolarHBondContact OG1-OE1 3.42Å; T244-I321 HydrophobicContact CG2-CG2 3.94Å
245	K	97	Very high	97.7	Very high	151 Å²	151	15.7 Å²	15.7	66%	0.657	7%	0.072	S	C	*	.	S	Bend	trans	-62.6	-41.2	173.5	-177.2	-179.1	176	-177.1	0	111.5	K291 E316	K245-K291 WeakPolarHBondContact O-CE 3.49Å; K245-K291 PolarHBondContact O-NZ 2.88Å; K245-E316 WeakPolarHBondContact CB-OE1 3.36Å; K245-E316 PolarHBondContact N-OE1 2.91Å
246	N	98	Very high	97.7	Very high	45 Å²	45	15.8 Å²	15.8	24%	0.241	7%	0.072	C	C	.	.	S	Bend	trans	-118.2	-14	-170.7	-59.6	-52.6	0	0	0	114.5	T244 K291 H292 E316	T244-N246 VanDerWaalsContact C-N 3.33Å; T244-N246 PolarHBondContact OG1-N 3.18Å; N246-K291 VanDerWaalsContact O-CB 3.24Å; N246-K291 WeakPolarHBondContact O-CB 3.31Å; N246-K291 PolarHBondContact O-N 3.14Å; N246-H292 PolarHBondContact OD1-NE2 3.04Å; N246-E316 WeakPolarHBondContact CB-OE1 3.23Å; N246-E316 PolarHBondContact N-OE1 2.95Å; N246-E316 PolarHBondContact ND2-OE1 2.77Å; N246-E316 PolarHBondContact ND2-OE2 3.23Å
247	Y	98.4	Very high	97.6	Very high	42 Å²	42	16.5 Å²	16.5	17%	0.165	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.4	-172.4	-53.1	-75.4	0	0	0	113.7	T244 V288 V289 L297 E316 I321 L368	T244-Y247 PolarHBondContact N-O 3.2Å; T244-Y247 WeakPolarHBondContact OG1-CA 3.47Å; T244-Y247 WeakPolarHBondContact OG1-CB 3.44Å; T244-Y247 PolarHBondContact OG1-N 2.9Å; T244-Y247 PolarHBondContact OG1-O 3Å; Y247-V288 HydrophobicContact CD1-CG1 3.89Å; Y247-V288 HydrophobicContact CG-CG1 4.08Å; Y247-V289 CarbonylContact C-O 3.58Å; Y247-V289 VanDerWaalsContact CA-O 3.25Å; Y247-V289 WeakPolarHBondContact CA-O 3.32Å; Y247-L297 HydrophobicContact CD1-CD1 4.08Å; Y247-L297 HydrophobicContact CE1-CD1 3.76Å; Y247-E316 HydrophobicContact CD2-CG 3.93Å; Y247-E316 HydrophobicContact CE2-CG 4.15Å; Y247-E316 WeakPolarHBondContact CE2-OE2 3.38Å; Y247-I321 HydrophobicContact CD2-CD1 3.84Å; Y247-I321 HydrophobicContact CD2-CG1 4.02Å; Y247-I321 HydrophobicContact CG-CD1 3.8Å; Y247-I321 HydrophobicContact CG-CG1 4.48Å; Y247-L368 HydrophobicContact CD2-CD1 4.23Å; Y247-L368 HydrophobicContact CD2-CD2 4.35Å; Y247-L368 HydrophobicContact CE1-CD2 4.22Å; Y247-L368 HydrophobicContact CE2-CD1 3.43Å; Y247-L368 VanDerWaalsContact CE2-CD1 3.43Å; Y247-L368 HydrophobicContact CE2-CD2 4Å; Y247-L368 HydrophobicContact CE2-CG 4.38Å
248	I	98.7	Very high	97.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.4	166.1	-72.5	170.9	0	0	0	108.5	Y189 I204 F241 G242 M243 V289 K291	Y189-I248 HydrophobicContact CD1-CD1 3.46Å; Y189-I248 VanDerWaalsContact CD1-CD1 3.46Å; Y189-I248 HydrophobicContact CE1-CD1 4.03Å; Y189-I248 HydrophobicContact CG-CD1 4.02Å; I204-I248 HydrophobicContact CD1-CB 4.02Å; I204-I248 HydrophobicContact CD1-CD1 4.48Å; I204-I248 HydrophobicContact CD1-CG2 3.53Å; I204-I248 HydrophobicContact CG1-CG2 4.06Å; I204-I248 HydrophobicContact CG2-CD1 3.48Å; I204-I248 VanDerWaalsContact CG2-CD1 3.48Å; F241-I248 HydrophobicContact CD2-CG2 3.77Å; F241-I248 HydrophobicContact CE2-CG1 4.47Å; F241-I248 HydrophobicContact CE2-CG2 4.12Å; G242-I248 WeakPolarHBondContact O-CA 3.3Å; M243-I248 HydrophobicContact CG-CG1 4.24Å; I248-V289 PolarHBondContact N-O 3.4Å; I248-V289 PolarHBondContact O-N 3.25Å; I248-K291 HydrophobicContact CD1-CB 4.42Å; I248-K291 HydrophobicContact CD1-CD 4.39Å; I248-K291 HydrophobicContact CD1-CG 3.9Å; I248-K291 HydrophobicContact CG1-CB 4.27Å; I248-K291 HydrophobicContact CG1-CD 4.29Å; I248-K291 HydrophobicContact CG1-CG 4.07Å
249	I	98.6	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.6	-176.4	-53.4	86.6	0	0	0	108.8	G242 T244 F286 H287 A314 I321 I323 L366	G242-I249 PolarHBondContact N-O 2.86Å; G242-I249 PolarHBondContact O-N 2.71Å; T244-I249 HydrophobicContact CG2-CD1 3.74Å; I249-F286 HydrophobicContact CG2-CB 4.38Å; I249-F286 HydrophobicContact CG2-CD1 4.26Å; I249-H287 CarbonylContact C-O 3.35Å; I249-H287 WeakPolarHBondContact CA-O 3.44Å; I249-A314 HydrophobicContact CD1-CB 4.24Å; I249-I321 HydrophobicContact CD1-CD1 4.31Å; I249-I321 HydrophobicContact CD1-CG2 3.87Å; I249-I321 HydrophobicContact CG1-CD1 4.1Å; I249-I321 HydrophobicContact CG1-CG2 3.95Å; I249-I323 HydrophobicContact CB-CD1 3.99Å; I249-I323 HydrophobicContact CG2-CD1 3.77Å; I249-L366 HydrophobicContact CG2-CD1 4.08Å
250	F	98.4	Very high	96.8	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.6	174.2	166.9	-123.7	0	0	0	110.6	M191 Y202 I227 Y238 E252 F286 H287	M191-F250 HydrophobicContact CE-CB 3.78Å; M191-F250 HydrophobicContact CE-CD1 4.22Å; M191-F250 HydrophobicContact CE-CD2 3.39Å; M191-F250 HydrophobicContact CE-CE2 4Å; M191-F250 HydrophobicContact CE-CG 3.52Å; M191-F250 HydrophobicContact SD-CB 3.81Å; M191-F250 HydrophobicContact SD-CD2 3.53Å; M191-F250 VanDerWaalsContact SD-CD2 3.53Å; M191-F250 HydrophobicContact SD-CE2 4.42Å; M191-F250 HydrophobicContact SD-CG 3.93Å; Y202-F250 HydrophobicContact CD1-CE1 4.06Å; Y202-F250 HydrophobicContact CD1-CE2 4.41Å; Y202-F250 AromaticContact CD1-CZ 3.64Å; Y202-F250 HydrophobicContact CD1-CZ 3.64Å; Y202-F250 HydrophobicContact CD2-CD1 4.13Å; Y202-F250 AromaticContact CD2-CE1 3.24Å; Y202-F250 HydrophobicContact CD2-CE1 3.24Å; Y202-F250 AromaticContact CD2-CZ 3.72Å; Y202-F250 HydrophobicContact CD2-CZ 3.72Å; Y202-F250 HydrophobicContact CE1-CE1 4.28Å; Y202-F250 AromaticContact CE1-CZ 3.76Å; Y202-F250 HydrophobicContact CE1-CZ 3.76Å; Y202-F250 AromaticContact CE2-CE1 3.47Å; Y202-F250 HydrophobicContact CE2-CE1 3.47Å; Y202-F250 VanDerWaalsContact CE2-CE1 3.47Å; Y202-F250 AromaticContact CE2-CZ 3.8Å; Y202-F250 HydrophobicContact CE2-CZ 3.8Å; Y202-F250 HydrophobicContact CG-CD1 4.36Å; Y202-F250 AromaticContact CG-CE1 3.54Å; Y202-F250 HydrophobicContact CG-CE1 3.54Å; Y202-F250 HydrophobicContact CG-CE2 4.48Å; Y202-F250 AromaticContact CG-CZ 3.61Å; Y202-F250 HydrophobicContact CG-CZ 3.61Å; Y202-F250 AromaticContact CZ-CZ 3.83Å; I227-F250 HydrophobicContact CD1-CB 4.31Å; I227-F250 HydrophobicContact CD1-CD1 4.07Å; Y238-F250 AromaticContact CD1-CE2 3.85Å; Y238-F250 HydrophobicContact CD1-CE2 3.85Å; Y238-F250 HydrophobicContact CD1-CZ 4.25Å; Y238-F250 HydrophobicContact CD2-CE2 4.27Å; Y238-F250 AromaticContact CG-CE2 3.7Å; Y238-F250 HydrophobicContact CG-CE2 3.7Å; F250-E252 HydrophobicContact CD1-CB 4.45Å; F250-E252 HydrophobicContact CE1-CB 3.69Å; F250-E252 HydrophobicContact CE1-CG 4.25Å; F250-E252 HydrophobicContact CZ-CB 3.95Å; F250-E252 HydrophobicContact CZ-CG 4.36Å; F250-F286 WeakPolarHBondContact O-CA 3.43Å; F250-H287 HydrophobicContact CB-CB 4.26Å; F250-H287 HydrophobicContact CD1-CB 4.2Å; F250-H287 AromaticContact CD1-CD2 3.5Å; F250-H287 VanDerWaalsContact CD1-CD2 3.5Å; F250-H287 WeakPolarHBondContact CD1-CD2 3.43Å; F250-H287 AromaticContact CE1-CD2 3.89Å; F250-H287 PolarHBondContact N-O 2.8Å; F250-H287 PolarHBondContact O-N 3.49Å
251	V	98.1	Very high	96.5	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.03	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	103.2	176.6	-172.6	0	0	0	0	109.2	Q253 T284 F286 F306 T308 L325	V251-Q253 PolarHBondContact O-N 3.08Å; V251-T284 HydrophobicContact CG1-CG2 3.45Å; V251-T284 VanDerWaalsContact CG1-CG2 3.45Å; V251-F286 HydrophobicContact CG1-CE1 4.33Å; V251-F286 HydrophobicContact CG2-CD1 3.85Å; V251-F286 HydrophobicContact CG2-CE1 3.93Å; V251-F306 HydrophobicContact CG1-CE2 4.17Å; V251-F306 HydrophobicContact CG1-CZ 4.02Å; V251-T308 HydrophobicContact CB-CG2 4.44Å; V251-T308 HydrophobicContact CG1-CG2 4.2Å; V251-L325 HydrophobicContact CG2-CD1 4.23Å
252	E	97.7	Very high	95.8	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.019	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	102.7	171.9	-170.8	175.8	-160.6	0	0	109	Y202 T230 F250 R285 H287	Y202-E252 HydrophobicContact CE2-CG 4.25Å; Y202-E252 WeakPolarHBondContact CE2-OE1 3.33Å; Y202-E252 PolarHBondContact OH-OE1 2.55Å; T230-E252 PolarHBondContact N-OE1 3.08Å; T230-E252 VanDerWaalsContact N-OE1 3.11Å; T230-E252 PolarHBondContact OG1-OE1 3.24Å; T230-E252 PolarHBondContact OG1-OE2 2.8Å; F250-E252 HydrophobicContact CD1-CB 4.45Å; F250-E252 HydrophobicContact CE1-CB 3.69Å; F250-E252 HydrophobicContact CE1-CG 4.25Å; F250-E252 HydrophobicContact CZ-CB 3.95Å; F250-E252 HydrophobicContact CZ-CG 4.36Å; E252-R285 HydrophobicContact CB-CB 4.34Å; E252-R285 PolarHBondContact N-O 2.91Å; E252-R285 PolarHBondContact O-N 3.38Å; E252-H287 IonicContact OE2-CE1 2.89Å; E252-H287 IonicContact OE2-NE2 3.39Å; E252-H287 PolarHBondContact OE2-NE2 3.45Å
253	Q	97.3	Very high	95.2	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	14%	0.142	C	C	.	.			trans	-100.7	169.8	-170.2	56.9	-175.2	-14.6	0	0	113.2	S236 Y237 V251 V255 K256 T308	S236-Q253 VanDerWaalsContact OG-CG 3.24Å; S236-Q253 WeakPolarHBondContact OG-CG 3.42Å; S236-Q253 PolarHBondContact OG-N 3.44Å; S236-Q253 PolarHBondContact OG-O 3.48Å; S236-Q253 VanDerWaalsContact OG-O 3.07Å; Y237-Q253 VanDerWaalsContact O-CG 3.22Å; Y237-Q253 WeakPolarHBondContact O-CG 3.48Å; Y237-Q253 PolarHBondContact O-NE2 2.88Å; V251-Q253 PolarHBondContact O-N 3.08Å; Q253-V255 HydrophobicContact CG-CB 4.43Å; Q253-V255 HydrophobicContact CG-CG2 4.44Å; Q253-V255 PolarHBondContact O-N 3.27Å; Q253-V255 VanDerWaalsContact O-N 3.17Å; Q253-K256 PolarHBondContact O-NZ 2.89Å; Q253-K256 VanDerWaalsContact O-NZ 3.16Å; Q253-T308 PolarHBondContact NE2-O 3.13Å; Q253-T308 PolarHBondContact OE1-O 3.38Å
254	P	96.8	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-78.8	14.4	-178.8	-1.4	17.3	0	0	0	114.1	K256 W278 E279 Y282 P305 F306	P254-K256 PolarHBondContact O-N 3.34Å; P254-W278 HydrophobicContact CB-CE3 3.97Å; P254-W278 HydrophobicContact CB-CH2 4.04Å; P254-W278 HydrophobicContact CB-CZ3 3.71Å; P254-W278 HydrophobicContact CG-CE3 4.32Å; P254-W278 HydrophobicContact CG-CH2 3.58Å; P254-W278 HydrophobicContact CG-CZ2 4.38Å; P254-W278 HydrophobicContact CG-CZ3 3.54Å; P254-E279 VanDerWaalsContact CB-O 3.28Å; P254-E279 WeakPolarHBondContact CB-O 3.49Å; P254-E279 PolarHBondContact O-N 3.43Å; P254-Y282 WeakPolarHBondContact CG-O 3.43Å; P254-P305 HydrophobicContact CG-CB 3.7Å; P254-F306 VanDerWaalsContact CD-O 3.23Å; P254-F306 WeakPolarHBondContact CD-O 3.23Å
255	V	96.5	Very high	93.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	101.1	173.7	-175.1	0	0	0	0	108.2	S236 Y237 Q253 I276 W278 L307	S236-V255 CarbonylContact C-O 3.53Å; S236-V255 VanDerWaalsContact CA-O 3.31Å; S236-V255 WeakPolarHBondContact CA-O 3.45Å; Y237-V255 HydrophobicContact CD1-CG1 4.2Å; Y237-V255 HydrophobicContact CG-CG1 4.32Å; Y237-V255 PolarHBondContact N-O 3.03Å; Q253-V255 HydrophobicContact CG-CB 4.43Å; Q253-V255 HydrophobicContact CG-CG2 4.44Å; Q253-V255 PolarHBondContact O-N 3.27Å; Q253-V255 VanDerWaalsContact O-N 3.17Å; V255-I276 HydrophobicContact CG1-CG2 3.49Å; V255-I276 VanDerWaalsContact CG1-CG2 3.49Å; V255-W278 HydrophobicContact CG2-CE3 3.76Å; V255-W278 HydrophobicContact CG2-CZ3 4.05Å; V255-L307 HydrophobicContact CG2-CB 4.35Å; V255-L307 HydrophobicContact CG2-CD1 3.82Å
256	K	96.3	Very high	92.8	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.017	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134	-170.4	-59.5	-51.7	-171.4	-168	0	112.3	K234 Q253 P254 I276 S277 E279 Y282	K234-K256 HydrophobicContact CB-CB 4.27Å; K234-K256 WeakPolarHBondContact O-CD 3.44Å; Q253-K256 PolarHBondContact O-NZ 2.89Å; Q253-K256 VanDerWaalsContact O-NZ 3.16Å; P254-K256 PolarHBondContact O-N 3.34Å; K256-I276 WeakPolarHBondContact O-CA 3.38Å; K256-S277 PolarHBondContact N-O 3.44Å; K256-S277 PolarHBondContact O-N 2.91Å; K256-E279 HydrophobicContact CB-CG 4.47Å; K256-E279 HydrophobicContact CG-CB 4.02Å; K256-E279 HydrophobicContact CG-CG 4.24Å; K256-Y282 VanDerWaalsContact CE-CD2 3.5Å; K256-Y282 HydrophobicContact CG-CD2 4.27Å; K256-Y282 HydrophobicContact CG-CE2 4.22Å
257	M	94.2	Very high	92.1	Very high	17 Å²	17	31.8 Å²	31.8	8%	0.084	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	101.5	173.3	-61.8	176.2	64.4	0	0	110.1	K234 P235 Y237 L259 I262 F272 I276	K234-M257 WeakPolarHBondContact CA-O 3.29Å; P235-M257 WeakPolarHBondContact CD-O 3.37Å; P235-M257 HydrophobicContact CG-CB 4.36Å; P235-M257 PolarHBondContact O-N 2.95Å; Y237-M257 HydrophobicContact CD2-SD 4.3Å; M257-L259 PolarHBondContact O-N 3.24Å; M257-I262 HydrophobicContact CB-CD1 4.11Å; M257-I262 HydrophobicContact CE-CD1 4.04Å; M257-F272 HydrophobicContact CE-CE1 3.97Å; M257-F272 HydrophobicContact CE-CZ 3.48Å; M257-F272 VanDerWaalsContact CE-CZ 3.48Å; M257-I276 HydrophobicContact CG-CG1 4.3Å
258	K	93.8	Very high	91.5	Very high	40 Å²	40	33.7 Å²	33.7	17%	0.174	16%	0.157	C	C	.	.			trans	-72.3	89.9	179	-70.3	165.5	170.7	143.2	0	110.1	K234 W260 K261 I262 G275 S277 E279	K234-K258 HydrophobicContact CG-CG 4.42Å; K258-W260 PolarHBondContact O-N 3.46Å; K258-W260 VanDerWaalsContact O-N 3.12Å; K258-K261 HydrophobicContact CB-CB 4.05Å; K258-K261 HydrophobicContact CB-CD 4.12Å; K258-K261 HydrophobicContact CB-CG 4.01Å; K258-K261 HydrophobicContact CD-CD 4.01Å; K258-K261 WeakPolarHBondContact O-CA 3.43Å; K258-K261 VanDerWaalsContact O-CB 3.32Å; K258-K261 WeakPolarHBondContact O-CB 3.17Å; K258-K261 PolarHBondContact O-N 3.28Å; K258-I262 PolarHBondContact O-N 3.13Å; K258-G275 WeakPolarHBondContact CB-O 3.46Å; K258-G275 PolarHBondContact N-O 2.84Å; K258-S277 PolarHBondContact NZ-OG 2.85Å; K258-E279 WeakPolarHBondContact CE-OE1 3.4Å; K258-E279 IonicContact NZ-OE1 2.73Å; K258-E279 PolarHBondContact NZ-OE1 2.9Å
259	L	91.2	Very high	90.8	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.052	18%	0.179	C	C	.	.	H	α-helix	trans	-55.9	-36.9	-173	-62.8	-173.2	0	0	0	113.3	Y195 S200 M233 P235 M257 K261 I262 I263	Y195-L259 HydrophobicContact CD1-CD1 3.55Å; Y195-L259 HydrophobicContact CD1-CD2 4.26Å; Y195-L259 HydrophobicContact CE1-CD1 3.78Å; Y195-L259 HydrophobicContact CE1-CD2 3.73Å; Y195-L259 HydrophobicContact CE1-CG 4.39Å; Y195-L259 HydrophobicContact CE2-CD2 4.15Å; Y195-L259 HydrophobicContact CG-CD1 4.07Å; S200-L259 WeakPolarHBondContact OG-CD1 3.22Å; M233-L259 HydrophobicContact CE-CB 4.11Å; M233-L259 PolarHBondContact O-N 3.29Å; P235-L259 HydrophobicContact CG-CD1 4.21Å; P235-L259 HydrophobicContact CG-CD2 3.99Å; P235-L259 HydrophobicContact CG-CG 4.11Å; M257-L259 PolarHBondContact O-N 3.24Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 3.22Å; L259-I262 HydrophobicContact CD2-CD1 4.35Å; L259-I262 PolarHBondContact O-N 3.19Å; L259-I263 HydrophobicContact CB-CD1 4.5Å; L259-I263 WeakPolarHBondContact O-CB 3.41Å; L259-I263 WeakPolarHBondContact O-CD1 3.5Å; L259-I263 VanDerWaalsContact O-CG1 3.23Å; L259-I263 WeakPolarHBondContact O-CG1 3.45Å; L259-I263 PolarHBondContact O-N 3.45Å
260	W	89.3	Confident	90.3	Very high	137 Å²	137	40.4 Å²	40.4	52%	0.519	20%	0.199	S	C	.	.	H	α-helix	trans	-60.7	-38.7	176.7	80.7	-96.2	0	0	0	112.2	K258 T264	K258-W260 PolarHBondContact O-N 3.46Å; K258-W260 VanDerWaalsContact O-N 3.12Å; W260-T264 WeakPolarHBondContact O-CB 3.47Å; W260-T264 WeakPolarHBondContact O-CG2 3.19Å; W260-T264 PolarHBondContact O-N 3.23Å; W260-T264 VanDerWaalsContact O-N 3.13Å; W260-T264 PolarHBondContact O-OG1 3.41Å
261	K	90.5	Very high	89.8	Confident	48 Å²	48	42.1 Å²	42.1	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-40.3	177.2	-77.5	-164.5	171.8	-170.4	0	111.2	K258 L259 T264 S265 R268	K258-K261 HydrophobicContact CB-CB 4.05Å; K258-K261 HydrophobicContact CB-CD 4.12Å; K258-K261 HydrophobicContact CB-CG 4.01Å; K258-K261 HydrophobicContact CD-CD 4.01Å; K258-K261 WeakPolarHBondContact O-CA 3.43Å; K258-K261 VanDerWaalsContact O-CB 3.32Å; K258-K261 WeakPolarHBondContact O-CB 3.17Å; K258-K261 PolarHBondContact O-N 3.28Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 3.22Å; K261-T264 CarbonylContact O-C 3.28Å; K261-T264 PolarHBondContact O-OG1 3.25Å; K261-S265 PolarHBondContact O-N 2.64Å; K261-S265 VanDerWaalsContact O-N 3.09Å; K261-R268 VanDerWaalsContact CB-NH1 3.26Å; K261-R268 PolarHBondContact O-NH1 3.39Å
262	I	85.5	Confident	89.3	Confident	25 Å²	25	45.2 Å²	45.2	13%	0.128	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-48.9	179.5	-68.2	169.3	0	0	0	110.3	M257 K258 L259 T264 S265 F272	M257-I262 HydrophobicContact CB-CD1 4.11Å; M257-I262 HydrophobicContact CE-CD1 4.04Å; K258-I262 PolarHBondContact O-N 3.13Å; L259-I262 HydrophobicContact CD2-CD1 4.35Å; L259-I262 PolarHBondContact O-N 3.19Å; I262-T264 PolarHBondContact O-N 2.84Å; I262-S265 WeakPolarHBondContact O-CB 3.43Å; I262-S265 PolarHBondContact O-N 2.9Å; I262-S265 VanDerWaalsContact O-N 3.1Å; I262-S265 PolarHBondContact O-OG 2.91Å; I262-F272 HydrophobicContact CB-CE2 4.41Å; I262-F272 HydrophobicContact CD1-CD2 4.43Å; I262-F272 HydrophobicContact CD1-CE1 4.4Å; I262-F272 HydrophobicContact CD1-CE2 3.87Å; I262-F272 HydrophobicContact CD1-CZ 3.86Å; I262-F272 HydrophobicContact CG1-CD2 4.23Å; I262-F272 HydrophobicContact CG1-CE2 4.13Å; I262-F272 HydrophobicContact CG2-CD2 3.59Å; I262-F272 HydrophobicContact CG2-CE2 3.42Å; I262-F272 VanDerWaalsContact CG2-CE2 3.42Å; I262-F272 HydrophobicContact CG2-CZ 4.44Å
263	I	85.5	Confident	88.9	Confident	123 Å²	123	45.5 Å²	45.5	63%	0.631	23%	0.226	S	C	*	.	H	α-helix	trans	-61	-37.2	179.1	-68.1	163.7	0	0	0	110.8	L259	L259-I263 HydrophobicContact CB-CD1 4.5Å; L259-I263 WeakPolarHBondContact O-CB 3.41Å; L259-I263 WeakPolarHBondContact O-CD1 3.5Å; L259-I263 VanDerWaalsContact O-CG1 3.23Å; L259-I263 WeakPolarHBondContact O-CG1 3.45Å; L259-I263 PolarHBondContact O-N 3.45Å
264	T	84.7	Confident	88.7	Confident	42 Å²	42	47.8 Å²	47.8	26%	0.258	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	7.9	179.6	58.4	0	0	0	0	113.9	W260 K261 I262 K266 I267 R268	W260-T264 WeakPolarHBondContact O-CB 3.47Å; W260-T264 WeakPolarHBondContact O-CG2 3.19Å; W260-T264 PolarHBondContact O-N 3.23Å; W260-T264 VanDerWaalsContact O-N 3.13Å; W260-T264 PolarHBondContact O-OG1 3.41Å; K261-T264 CarbonylContact O-C 3.28Å; K261-T264 PolarHBondContact O-OG1 3.25Å; I262-T264 PolarHBondContact O-N 2.84Å; T264-K266 PolarHBondContact O-N 3.31Å; T264-I267 PolarHBondContact O-N 2.88Å; T264-I267 VanDerWaalsContact O-N 3.13Å; T264-R268 WeakPolarHBondContact O-CB 3.24Å; T264-R268 VanDerWaalsContact O-CG 3.32Å; T264-R268 WeakPolarHBondContact O-CG 3.43Å; T264-R268 PolarHBondContact O-N 2.8Å; T264-R268 WeakPolarHBondContact OG1-CD 3.49Å
265	S	83.5	Confident	88.4	Confident	13 Å²	13	47.9 Å²	47.9	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-51.3	-52.6	-175.4	53.3	0	0	0	0	113.7	K261 I262 I267 R268 G269 K270	K261-S265 PolarHBondContact O-N 2.64Å; K261-S265 VanDerWaalsContact O-N 3.09Å; I262-S265 WeakPolarHBondContact O-CB 3.43Å; I262-S265 PolarHBondContact O-N 2.9Å; I262-S265 VanDerWaalsContact O-N 3.1Å; I262-S265 PolarHBondContact O-OG 2.91Å; S265-I267 PolarHBondContact O-N 3.17Å; S265-R268 CarbonylContact O-C 3.51Å; S265-R268 PolarHBondContact O-N 3.32Å; S265-G269 PolarHBondContact O-N 3.35Å; S265-K270 CarbonylContact C-O 3.48Å; S265-K270 VanDerWaalsContact CB-O 3.31Å; S265-K270 WeakPolarHBondContact CB-O 3.18Å; S265-K270 PolarHBondContact O-N 3.25Å
266	K	76.5	Confident	88.3	Confident	45 Å²	45	48.6 Å²	48.6	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-43.1	177.3	-81.8	-172.2	167.6	-177.4	0	113	E123 P124 P125 T264 G269	E123-K266 WeakPolarHBondContact O-CD 3.23Å; E123-K266 PolarHBondContact O-NZ 2.88Å; P124-K266 PolarHBondContact O-NZ 3.14Å; P124-K266 VanDerWaalsContact O-NZ 3.08Å; P125-K266 VanDerWaalsContact CA-CE 3.48Å; P125-K266 HydrophobicContact CB-CD 4.24Å; T264-K266 PolarHBondContact O-N 3.31Å; K266-G269 PolarHBondContact O-N 3.44Å
267	I	82	Confident	88.2	Confident	107 Å²	107	49.7 Å²	49.7	55%	0.549	25%	0.251	S	S	.	.	H	α-helix	trans	-68.8	-40.6	179.7	-62.5	172.9	0	0	0	110.3	T264 S265 G269	T264-I267 PolarHBondContact O-N 2.88Å; T264-I267 VanDerWaalsContact O-N 3.13Å; S265-I267 PolarHBondContact O-N 3.17Å; I267-G269 VanDerWaalsContact C-N 3.27Å; I267-G269 PolarHBondContact O-N 2.54Å
268	R	85.6	Confident	88.3	Confident	82 Å²	82	51.2 Å²	51.2	31%	0.309	26%	0.256	S	S	.	.	H	α-helix	trans	-76.5	-12.5	179	-69	172.5	65.3	-129.3	-4.5	113.3	K261 T264 S265 K270 D274	K261-R268 VanDerWaalsContact CB-NH1 3.26Å; K261-R268 PolarHBondContact O-NH1 3.39Å; T264-R268 WeakPolarHBondContact O-CB 3.24Å; T264-R268 VanDerWaalsContact O-CG 3.32Å; T264-R268 WeakPolarHBondContact O-CG 3.43Å; T264-R268 PolarHBondContact O-N 2.8Å; T264-R268 WeakPolarHBondContact OG1-CD 3.49Å; S265-R268 CarbonylContact O-C 3.51Å; S265-R268 PolarHBondContact O-N 3.32Å; R268-K270 VanDerWaalsContact C-N 3.31Å; R268-K270 HydrophobicContact CB-CB 4.47Å; R268-K270 HydrophobicContact CB-CG 4.23Å; R268-K270 PolarHBondContact O-N 2.78Å; R268-D274 IonicContact CZ-OD2 3.43Å; R268-D274 VanDerWaalsContact CZ-OD2 3.25Å; R268-D274 IonicContact NH1-OD2 2.92Å; R268-D274 PolarHBondContact NH1-OD2 3.06Å; R268-D274 IonicContact NH2-OD2 2.69Å; R268-D274 PolarHBondContact NH2-OD2 2.87Å
269	G	84.7	Confident	88.4	Confident	45 Å²	45	50.1 Å²	50.1	46%	0.464	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	35.1	-174.7	0	0	0	0	0	112.8	L105 S265 K266 I267	L105-G269 VanDerWaalsContact CD2-C 3.49Å; S265-G269 PolarHBondContact O-N 3.35Å; K266-G269 PolarHBondContact O-N 3.44Å; I267-G269 VanDerWaalsContact C-N 3.27Å; I267-G269 PolarHBondContact O-N 2.54Å
270	K	87.6	Confident	88.6	Confident	97 Å²	97	52.8 Å²	52.8	42%	0.422	27%	0.27	S	S	.	.			trans	-121.9	145.8	-178	-65.7	-65.2	-176.3	175.5	0	111.1	S265 R268 D274	S265-K270 CarbonylContact C-O 3.48Å; S265-K270 VanDerWaalsContact CB-O 3.31Å; S265-K270 WeakPolarHBondContact CB-O 3.18Å; S265-K270 PolarHBondContact O-N 3.25Å; R268-K270 VanDerWaalsContact C-N 3.31Å; R268-K270 HydrophobicContact CB-CB 4.47Å; R268-K270 HydrophobicContact CB-CG 4.23Å; R268-K270 PolarHBondContact O-N 2.78Å; K270-D274 HydrophobicContact CB-CB 3.89Å
271	P	88.3	Confident	88.9	Confident	37 Å²	37	52.2 Å²	52.2	24%	0.24	27%	0.273	C	S	.	.			trans	-71.2	170.9	175.9	32.1	-36.4	0	0	0	111.8	G103 A273 D274	G103-P271 WeakPolarHBondContact O-CB 3.25Å; P271-A273 VanDerWaalsContact C-N 3.3Å; P271-A273 PolarHBondContact O-N 3.2Å; P271-D274 WeakPolarHBondContact O-CB 3.48Å; P271-D274 PolarHBondContact O-N 2.77Å
272	F	87.2	Confident	89.1	Confident	70 Å²	70	52.2 Å²	52.2	31%	0.307	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-58.9	-40.7	179.4	-176.2	-88.6	0	0	0	112.3	F102 M257 I262 D274 G275 I276	F102-F272 AromaticContact CD2-CD1 3.85Å; F102-F272 HydrophobicContact CD2-CD1 3.85Å; F102-F272 HydrophobicContact CD2-CE1 4.44Å; F102-F272 HydrophobicContact CE2-CD1 4.09Å; F102-F272 WeakPolarHBondContact O-CB 3.19Å; F102-F272 PolarHBondContact O-N 2.98Å; M257-F272 HydrophobicContact CE-CE1 3.97Å; M257-F272 HydrophobicContact CE-CZ 3.48Å; M257-F272 VanDerWaalsContact CE-CZ 3.48Å; I262-F272 HydrophobicContact CB-CE2 4.41Å; I262-F272 HydrophobicContact CD1-CD2 4.43Å; I262-F272 HydrophobicContact CD1-CE1 4.4Å; I262-F272 HydrophobicContact CD1-CE2 3.87Å; I262-F272 HydrophobicContact CD1-CZ 3.86Å; I262-F272 HydrophobicContact CG1-CD2 4.23Å; I262-F272 HydrophobicContact CG1-CE2 4.13Å; I262-F272 HydrophobicContact CG2-CD2 3.59Å; I262-F272 HydrophobicContact CG2-CE2 3.42Å; I262-F272 VanDerWaalsContact CG2-CE2 3.42Å; I262-F272 HydrophobicContact CG2-CZ 4.44Å; F272-D274 PolarHBondContact O-N 3.5Å; F272-D274 VanDerWaalsContact O-N 3.15Å; F272-G275 PolarHBondContact O-N 2.79Å; F272-I276 HydrophobicContact CD1-CD1 4.27Å; F272-I276 HydrophobicContact CE1-CD1 3.99Å; F272-I276 HydrophobicContact CE1-CG1 4.49Å
273	A	90.5	Very high	89.6	Confident	10 Å²	10	53.9 Å²	53.9	8%	0.083	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-55.7	-29.6	179.5	0	0	0	0	0	114.1	F102 P271 G275 I276	F102-A273 HydrophobicContact CD1-CB 4.15Å; F102-A273 HydrophobicContact CE1-CB 3.73Å; F102-A273 HydrophobicContact CE2-CB 4.31Å; F102-A273 HydrophobicContact CZ-CB 3.82Å; F102-A273 WeakPolarHBondContact O-CB 3.44Å; F102-A273 PolarHBondContact O-N 2.61Å; P271-A273 VanDerWaalsContact C-N 3.3Å; P271-A273 PolarHBondContact O-N 3.2Å; A273-G275 PolarHBondContact O-N 2.97Å; A273-G275 VanDerWaalsContact O-N 3.11Å; A273-I276 PolarHBondContact O-N 2.85Å
274	D	91.8	Very high	90.2	Very high	49 Å²	49	48 Å²	48	26%	0.262	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62	-20	175.3	178	93.6	0	0	0	113.1	R268 K270 P271 F272	R268-D274 IonicContact CZ-OD2 3.43Å; R268-D274 VanDerWaalsContact CZ-OD2 3.25Å; R268-D274 IonicContact NH1-OD2 2.92Å; R268-D274 PolarHBondContact NH1-OD2 3.06Å; R268-D274 IonicContact NH2-OD2 2.69Å; R268-D274 PolarHBondContact NH2-OD2 2.87Å; K270-D274 HydrophobicContact CB-CB 3.89Å; P271-D274 WeakPolarHBondContact O-CB 3.48Å; P271-D274 PolarHBondContact O-N 2.77Å; F272-D274 PolarHBondContact O-N 3.5Å; F272-D274 VanDerWaalsContact O-N 3.15Å
275	G	91.9	Very high	90.8	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.021	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-80.6	-11.1	174.9	0	0	0	0	0	114.4	K258 F272 A273	K258-G275 WeakPolarHBondContact CB-O 3.46Å; K258-G275 PolarHBondContact N-O 2.84Å; F272-G275 PolarHBondContact O-N 2.79Å; A273-G275 PolarHBondContact O-N 2.97Å; A273-G275 VanDerWaalsContact O-N 3.11Å
276	I	93.9	Very high	91.5	Very high	17 Å²	17	48.2 Å²	48.2	9%	0.087	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.4	-176.6	-54	-176.5	0	0	0	109.5	F102 V255 K256 M257 F272 A273 L334	F102-I276 HydrophobicContact CE2-CD1 3.62Å; F102-I276 HydrophobicContact CZ-CD1 4.09Å; V255-I276 HydrophobicContact CG1-CG2 3.49Å; V255-I276 VanDerWaalsContact CG1-CG2 3.49Å; K256-I276 WeakPolarHBondContact O-CA 3.38Å; M257-I276 HydrophobicContact CG-CG1 4.3Å; F272-I276 HydrophobicContact CD1-CD1 4.27Å; F272-I276 HydrophobicContact CE1-CD1 3.99Å; F272-I276 HydrophobicContact CE1-CG1 4.49Å; A273-I276 PolarHBondContact O-N 2.85Å; I276-L334 HydrophobicContact CD1-CD1 4.3Å; I276-L334 HydrophobicContact CG2-CD1 3.8Å
277	S	94.8	Very high	92.5	Very high	28 Å²	28	46.3 Å²	46.3	20%	0.196	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	144.8	176	55.2	0	0	0	0	112.8	K256 K258 E279	K256-S277 PolarHBondContact N-O 3.44Å; K256-S277 PolarHBondContact O-N 2.91Å; K258-S277 PolarHBondContact NZ-OG 2.85Å; S277-E279 PolarHBondContact OG-OE1 3.46Å
278	W	96	Very high	93.3	Very high	48 Å²	48	41.2 Å²	41.2	18%	0.182	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.4	165.8	178.9	-118.6	0	0	0	111	P254 V255 P280 P305 L307 D330 G331 R332	P254-W278 HydrophobicContact CB-CE3 3.97Å; P254-W278 HydrophobicContact CB-CH2 4.04Å; P254-W278 HydrophobicContact CB-CZ3 3.71Å; P254-W278 HydrophobicContact CG-CE3 4.32Å; P254-W278 HydrophobicContact CG-CH2 3.58Å; P254-W278 HydrophobicContact CG-CZ2 4.38Å; P254-W278 HydrophobicContact CG-CZ3 3.54Å; V255-W278 HydrophobicContact CG2-CE3 3.76Å; V255-W278 HydrophobicContact CG2-CZ3 4.05Å; W278-P280 HydrophobicContact CZ2-CB 3.98Å; W278-P305 HydrophobicContact CH2-CB 3.91Å; W278-P305 HydrophobicContact CZ2-CB 3.85Å; W278-L307 HydrophobicContact CZ3-CB 4.24Å; W278-D330 HydrophobicContact CZ2-CB 4.37Å; W278-G331 VanDerWaalsContact CE3-CA 3.41Å; W278-G331 VanDerWaalsContact CE3-N 3.27Å; W278-R332 HydrophobicContact CB-CG 4.44Å
279	E	96.3	Very high	93.9	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.079	20%	0.196	C	C	.	.			trans	-127.9	77.6	-179.2	-69.8	-164.3	-152.2	0	0	109.5	P254 K256 K258 S277 Q281 Y282	P254-E279 VanDerWaalsContact CB-O 3.28Å; P254-E279 WeakPolarHBondContact CB-O 3.49Å; P254-E279 PolarHBondContact O-N 3.43Å; K256-E279 HydrophobicContact CB-CG 4.47Å; K256-E279 HydrophobicContact CG-CB 4.02Å; K256-E279 HydrophobicContact CG-CG 4.24Å; K258-E279 WeakPolarHBondContact CE-OE1 3.4Å; K258-E279 IonicContact NZ-OE1 2.73Å; K258-E279 PolarHBondContact NZ-OE1 2.9Å; S277-E279 PolarHBondContact OG-OE1 3.46Å; E279-Q281 VanDerWaalsContact CA-OE1 3.24Å; E279-Q281 PolarHBondContact O-N 3.03Å; E279-Q281 PolarHBondContact O-OE1 2.87Å; E279-Q281 PolarHBondContact OE2-NE2 3.43Å; E279-Y282 HydrophobicContact CB-CD2 3.75Å; E279-Y282 HydrophobicContact CB-CE2 3.82Å; E279-Y282 WeakPolarHBondContact O-CD2 3.06Å; E279-Y282 PolarHBondContact O-N 2.84Å; E279-Y282 VanDerWaalsContact O-N 3.13Å; E279-Y282 VanDerWaalsContact OE2-CE2 3.32Å; E279-Y282 WeakPolarHBondContact OE2-CE2 3.4Å
280	P	95.3	Very high	94.5	Very high	66 Å²	66	36.7 Å²	36.7	43%	0.429	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-4.7	-170.8	28.5	-34.5	0	0	0	114.2	W278 Y282 P305	W278-P280 HydrophobicContact CZ2-CB 3.98Å; P280-Y282 PolarHBondContact O-N 3.43Å; P280-P305 HydrophobicContact CB-CB 4.28Å; P280-P305 HydrophobicContact CB-CG 4.38Å; P280-P305 WeakPolarHBondContact O-CG 3.1Å
281	Q	95.5	Very high	95	Very high	125 Å²	125	32.2 Å²	32.2	58%	0.584	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.3	170.9	74.7	-82.4	13.9	0	0	113.1	E279	E279-Q281 VanDerWaalsContact CA-OE1 3.24Å; E279-Q281 PolarHBondContact O-N 3.03Å; E279-Q281 PolarHBondContact O-OE1 2.87Å; E279-Q281 PolarHBondContact OE2-NE2 3.43Å
282	Y	94.9	Very high	95.3	Very high	48 Å²	48	35.3 Å²	35.3	19%	0.188	17%	0.174	C	C	.	.	S	Bend	trans	-93.2	134.8	168.1	-56.3	-84	0	0	0	109.8	E231 P254 K256 E279 P280	E231-Y282 HydrophobicContact CG-CE1 3.73Å; P254-Y282 WeakPolarHBondContact CG-O 3.43Å; K256-Y282 VanDerWaalsContact CE-CD2 3.5Å; K256-Y282 HydrophobicContact CG-CD2 4.27Å; K256-Y282 HydrophobicContact CG-CE2 4.22Å; E279-Y282 HydrophobicContact CB-CD2 3.75Å; E279-Y282 HydrophobicContact CB-CE2 3.82Å; E279-Y282 WeakPolarHBondContact O-CD2 3.06Å; E279-Y282 PolarHBondContact O-N 2.84Å; E279-Y282 VanDerWaalsContact O-N 3.13Å; E279-Y282 VanDerWaalsContact OE2-CE2 3.32Å; E279-Y282 WeakPolarHBondContact OE2-CE2 3.4Å; P280-Y282 PolarHBondContact O-N 3.43Å
283	N	95	Very high	95.8	Very high	60 Å²	60	36.2 Å²	36.2	32%	0.321	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-69.5	158	170.1	-60.7	-35.3	0	0	0	110.9	Y302 W399	N283-Y302 HydrophobicContact CB-CD1 4.09Å; N283-W399 HydrophobicContact CB-CH2 4.35Å; N283-W399 VanDerWaalsContact CG-CH2 3.46Å; N283-W399 WeakPolarHBondContact ND2-CH2 3.29Å
284	T	97.8	Very high	96.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.4	167.7	-58.7	0	0	0	0	108.9	V251 Y302 S303 M304 F306	V251-T284 HydrophobicContact CG1-CG2 3.45Å; V251-T284 VanDerWaalsContact CG1-CG2 3.45Å; T284-Y302 CarbonylContact O-C 3.52Å; T284-Y302 VanDerWaalsContact O-CA 3.3Å; T284-Y302 WeakPolarHBondContact O-CA 3.47Å; T284-S303 PolarHBondContact N-O 2.9Å; T284-S303 PolarHBondContact O-N 2.92Å; T284-M304 PolarHBondContact OG1-O 2.81Å; T284-F306 HydrophobicContact CG2-CD1 4.21Å; T284-F306 HydrophobicContact CG2-CE1 3.57Å; T284-F306 HydrophobicContact CG2-CE2 4.35Å; T284-F306 HydrophobicContact CG2-CZ 3.66Å; T284-F306 PolarHBondContact OG1-N 3.38Å
285	R	97.6	Very high	96.3	Very high	59 Å²	59	39.6 Å²	39.6	22%	0.223	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.1	178.7	-177.7	177.4	177.4	-175.3	4.3	111	E252 H287 Y301 Y302	E252-R285 HydrophobicContact CB-CB 4.34Å; E252-R285 PolarHBondContact N-O 2.91Å; E252-R285 PolarHBondContact O-N 3.38Å; R285-H287 VanDerWaalsContact CZ-CE1 3.41Å; R285-H287 PolarHBondContact NE-CE1 3.31Å; R285-H287 VanDerWaalsContact NE-CE1 3.32Å; R285-Y301 WeakPolarHBondContact CA-O 3.4Å; R285-Y302 HydrophobicContact CB-CD1 4.14Å; R285-Y302 HydrophobicContact CB-CE1 4.11Å; R285-Y302 HydrophobicContact CG-CD1 4.36Å; R285-Y302 HydrophobicContact CG-CE1 4.09Å
286	F	98.3	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125	171.1	-51.7	-100.2	0	0	0	109.5	I249 F250 V251 Y301 F306 I323 L325 F364 L366	I249-F286 HydrophobicContact CG2-CB 4.38Å; I249-F286 HydrophobicContact CG2-CD1 4.26Å; F250-F286 WeakPolarHBondContact O-CA 3.43Å; V251-F286 HydrophobicContact CG1-CE1 4.33Å; V251-F286 HydrophobicContact CG2-CD1 3.85Å; V251-F286 HydrophobicContact CG2-CE1 3.93Å; F286-Y301 PolarHBondContact N-O 3.04Å; F286-F306 HydrophobicContact CE1-CZ 4.2Å; F286-F306 AromaticContact CZ-CE1 3.95Å; F286-F306 HydrophobicContact CZ-CE1 3.95Å; F286-F306 AromaticContact CZ-CZ 3.78Å; F286-F306 HydrophobicContact CZ-CZ 3.78Å; F286-I323 HydrophobicContact CE1-CG2 4.39Å; F286-L325 HydrophobicContact CE1-CD1 4.15Å; F286-F364 HydrophobicContact CE1-CD2 4.45Å; F286-F364 HydrophobicContact CE1-CG 4.35Å; F286-F364 HydrophobicContact CE2-CD1 4.15Å; F286-F364 HydrophobicContact CE2-CE1 4.42Å; F286-F364 HydrophobicContact CZ-CB 4.31Å; F286-F364 AromaticContact CZ-CD1 3.73Å; F286-F364 HydrophobicContact CZ-CD1 3.73Å; F286-F364 HydrophobicContact CZ-CD2 4.1Å; F286-F364 AromaticContact CZ-CE1 3.97Å; F286-F364 HydrophobicContact CZ-CE1 3.97Å; F286-F364 HydrophobicContact CZ-CE2 4.33Å; F286-F364 AromaticContact CZ-CG 3.79Å; F286-F364 HydrophobicContact CZ-CG 3.79Å; F286-F364 HydrophobicContact CZ-CZ 4.26Å; F286-L366 HydrophobicContact CB-CD1 3.86Å; F286-L366 HydrophobicContact CB-CD2 4.39Å; F286-L366 HydrophobicContact CD1-CD1 4.36Å; F286-L366 HydrophobicContact CD2-CD2 4.2Å; F286-L366 HydrophobicContact CG-CD1 4.2Å; F286-L366 HydrophobicContact CG-CD2 4.17Å
287	H	97.8	Very high	96.6	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.023	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.2	172.5	-61.4	-96.6	0	0	0	108.6	I227 I249 F250 E252 R285 L296	I227-H287 HydrophobicContact CD1-CB 3.87Å; I249-H287 CarbonylContact C-O 3.35Å; I249-H287 WeakPolarHBondContact CA-O 3.44Å; F250-H287 HydrophobicContact CB-CB 4.26Å; F250-H287 HydrophobicContact CD1-CB 4.2Å; F250-H287 AromaticContact CD1-CD2 3.5Å; F250-H287 VanDerWaalsContact CD1-CD2 3.5Å; F250-H287 WeakPolarHBondContact CD1-CD2 3.43Å; F250-H287 AromaticContact CE1-CD2 3.89Å; F250-H287 PolarHBondContact N-O 2.8Å; F250-H287 PolarHBondContact O-N 3.49Å; E252-H287 IonicContact OE2-CE1 2.89Å; E252-H287 IonicContact OE2-NE2 3.39Å; E252-H287 PolarHBondContact OE2-NE2 3.45Å; R285-H287 VanDerWaalsContact CZ-CE1 3.41Å; R285-H287 PolarHBondContact NE-CE1 3.31Å; R285-H287 VanDerWaalsContact NE-CE1 3.32Å; H287-L296 HydrophobicContact CB-CD1 4.12Å
288	V	98.2	Very high	96.3	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.8	-179.7	-178.9	0	0	0	0	109.1	Y247 L297 Y301 I321 L366 L368	Y247-V288 HydrophobicContact CD1-CG1 3.89Å; Y247-V288 HydrophobicContact CG-CG1 4.08Å; V288-L297 HydrophobicContact CB-CB 4.45Å; V288-L297 HydrophobicContact CB-CD1 4.35Å; V288-L297 HydrophobicContact CG1-CD1 3.73Å; V288-L297 HydrophobicContact CG1-CG 4.24Å; V288-L297 WeakPolarHBondContact O-CB 3.5Å; V288-L297 PolarHBondContact O-N 3.3Å; V288-Y301 HydrophobicContact CB-CE2 4.35Å; V288-Y301 HydrophobicContact CG2-CD2 4Å; V288-Y301 HydrophobicContact CG2-CE2 3.62Å; V288-I321 HydrophobicContact CB-CD1 4.39Å; V288-I321 HydrophobicContact CG1-CD1 3.39Å; V288-I321 HydrophobicContact CG2-CD1 4.03Å; V288-L366 HydrophobicContact CG2-CD1 3.91Å; V288-L368 HydrophobicContact CG1-CD2 4.26Å
289	V	98.2	Very high	95.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.2	-179.6	-179.6	0	0	0	0	109.3	I204 C225 I227 Y247 I248 K291 Q295 L296	I204-V289 HydrophobicContact CD1-CB 3.58Å; I204-V289 HydrophobicContact CD1-CG1 3.78Å; I204-V289 HydrophobicContact CD1-CG2 3.51Å; C225-V289 HydrophobicContact CB-CG1 3.83Å; I227-V289 HydrophobicContact CD1-CG2 3.97Å; I227-V289 HydrophobicContact CG1-CG2 4.48Å; Y247-V289 CarbonylContact C-O 3.58Å; Y247-V289 VanDerWaalsContact CA-O 3.25Å; Y247-V289 WeakPolarHBondContact CA-O 3.32Å; I248-V289 PolarHBondContact N-O 3.4Å; I248-V289 PolarHBondContact O-N 3.25Å; V289-K291 PolarHBondContact O-N 3.29Å; V289-Q295 CarbonylContact C-O 3.56Å; V289-Q295 WeakPolarHBondContact CA-O 3.28Å; V289-L296 HydrophobicContact CG2-CB 4.45Å; V289-L296 HydrophobicContact CG2-CD1 3.74Å
290	D	97.7	Very high	95.1	Very high	31 Å²	31	49.1 Å²	49.1	17%	0.166	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	115.6	168.2	-179.7	-66.1	0	0	0	109.3	H292 T293 G294 Q295	D290-H292 PolarHBondContact O-N 3.41Å; D290-H292 PolarHBondContact OD1-N 3.46Å; D290-T293 WeakPolarHBondContact CB-OG1 3.45Å; D290-T293 PolarHBondContact OD1-N 3.4Å; D290-T293 PolarHBondContact OD1-OG1 3.12Å; D290-G294 VanDerWaalsContact O-CA 3.29Å; D290-G294 WeakPolarHBondContact O-CA 3.2Å; D290-G294 PolarHBondContact O-N 2.63Å; D290-Q295 HydrophobicContact CB-CB 4.37Å; D290-Q295 PolarHBondContact N-O 2.9Å
291	K	97.3	Very high	95.2	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.6	-172.5	-174.2	177.3	72.4	172.8	0	112.9	D183 Y189 L224 M243 T244 K245 N246 I248 V289	D183-K291 VanDerWaalsContact CG-NZ 3.32Å; D183-K291 IonicContact OD1-NZ 2.69Å; D183-K291 PolarHBondContact OD1-NZ 3.26Å; D183-K291 IonicContact OD2-NZ 2.73Å; D183-K291 PolarHBondContact OD2-NZ 3.1Å; Y189-K291 HydrophobicContact CD1-CG 4.25Å; Y189-K291 HydrophobicContact CD2-CD 4.29Å; Y189-K291 HydrophobicContact CE1-CD 4.16Å; Y189-K291 HydrophobicContact CE1-CG 3.56Å; Y189-K291 HydrophobicContact CE2-CD 3.86Å; Y189-K291 HydrophobicContact CE2-CG 4.13Å; Y189-K291 VanDerWaalsContact CZ-CG 3.49Å; L224-K291 WeakPolarHBondContact CD2-O 3.38Å; M243-K291 HydrophobicContact CG-CD 4Å; M243-K291 HydrophobicContact SD-CD 3.9Å; T244-K291 PolarHBondContact O-NZ 3.19Å; K245-K291 WeakPolarHBondContact O-CE 3.49Å; K245-K291 PolarHBondContact O-NZ 2.88Å; N246-K291 VanDerWaalsContact O-CB 3.24Å; N246-K291 WeakPolarHBondContact O-CB 3.31Å; N246-K291 PolarHBondContact O-N 3.14Å; I248-K291 HydrophobicContact CD1-CB 4.42Å; I248-K291 HydrophobicContact CD1-CD 4.39Å; I248-K291 HydrophobicContact CD1-CG 3.9Å; I248-K291 HydrophobicContact CG1-CB 4.27Å; I248-K291 HydrophobicContact CG1-CD 4.29Å; I248-K291 HydrophobicContact CG1-CG 4.07Å; V289-K291 PolarHBondContact O-N 3.29Å
292	H	95.6	Very high	95.3	Very high	103 Å²	103	41.9 Å²	41.9	48%	0.477	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-38.8	-174.3	-57	-61.8	0	0	0	111.6	N246 D290	N246-H292 PolarHBondContact OD1-NE2 3.04Å; D290-H292 PolarHBondContact O-N 3.41Å; D290-H292 PolarHBondContact OD1-N 3.46Å
293	T	96.5	Very high	95.4	Very high	89 Å²	89	39.8 Å²	39.8	55%	0.546	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-21.9	-175.7	62.6	0	0	0	0	113.4	D290 Q295	D290-T293 WeakPolarHBondContact CB-OG1 3.45Å; D290-T293 PolarHBondContact OD1-N 3.4Å; D290-T293 PolarHBondContact OD1-OG1 3.12Å; T293-Q295 WeakPolarHBondContact OG1-CB 3.38Å; T293-Q295 PolarHBondContact OG1-N 3.49Å
294	G	97	Very high	95.5	Very high	8 Å²	8	43.1 Å²	43.1	8%	0.082	23%	0.227	C	C	.	.			trans	76.5	8.3	-171	0	0	0	0	0	114.1	C225 D290 L296	C225-G294 VanDerWaalsContact CB-O 3.31Å; C225-G294 WeakPolarHBondContact CB-O 3.41Å; C225-G294 PolarHBondContact SG-O 3.25Å; D290-G294 VanDerWaalsContact O-CA 3.29Å; D290-G294 WeakPolarHBondContact O-CA 3.2Å; D290-G294 PolarHBondContact O-N 2.63Å; G294-L296 PolarHBondContact O-N 3.31Å
295	Q	97.3	Very high	95.5	Very high	122 Å²	122	44.4 Å²	44.4	57%	0.57	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-71	122.2	179.2	-174.9	178.2	15.9	0	0	110.8	V289 D290 T293 L297	V289-Q295 CarbonylContact C-O 3.56Å; V289-Q295 WeakPolarHBondContact CA-O 3.28Å; D290-Q295 HydrophobicContact CB-CB 4.37Å; D290-Q295 PolarHBondContact N-O 2.9Å; T293-Q295 WeakPolarHBondContact OG1-CB 3.38Å; T293-Q295 PolarHBondContact OG1-N 3.49Å; Q295-L297 PolarHBondContact O-N 2.66Å
296	L	96.9	Very high	95.5	Very high	71 Å²	71	41.7 Å²	41.7	37%	0.372	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-70.7	122.2	167.5	179.1	64.8	0	0	0	109.1	I227 H287 V289 G294	I227-L296 HydrophobicContact CD1-CD1 4.36Å; I227-L296 HydrophobicContact CG1-CD1 4.31Å; H287-L296 HydrophobicContact CB-CD1 4.12Å; V289-L296 HydrophobicContact CG2-CB 4.45Å; V289-L296 HydrophobicContact CG2-CD1 3.74Å; G294-L296 PolarHBondContact O-N 3.31Å
297	L	94.7	Very high	95.5	Very high	36 Å²	36	41.8 Å²	41.8	19%	0.188	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-73	147.8	177.4	-59.5	-167.4	0	0	0	110.6	Y247 V288 Q295 G299 L368	Y247-L297 HydrophobicContact CD1-CD1 4.08Å; Y247-L297 HydrophobicContact CE1-CD1 3.76Å; V288-L297 HydrophobicContact CB-CB 4.45Å; V288-L297 HydrophobicContact CB-CD1 4.35Å; V288-L297 HydrophobicContact CG1-CD1 3.73Å; V288-L297 HydrophobicContact CG1-CG 4.24Å; V288-L297 WeakPolarHBondContact O-CB 3.5Å; V288-L297 PolarHBondContact O-N 3.3Å; Q295-L297 PolarHBondContact O-N 2.66Å; L297-G299 PolarHBondContact O-N 2.86Å; L297-L368 HydrophobicContact CD1-CD2 3.91Å
298	P	88.5	Confident	95.5	Very high	121 Å²	121	41.9 Å²	41.9	79%	0.786	23%	0.227	S	C	*	.			trans	-72.4	-9.2	-176.6	30	-36.5	0	0	0	113.9	M300	P298-M300 WeakPolarHBondContact O-CG 3.41Å; P298-M300 PolarHBondContact O-N 3.34Å
299	G	78.8	Confident	95.5	Very high	16 Å²	16	42.6 Å²	42.6	17%	0.165	23%	0.23	C	C	.	.			trans	-54.8	124.9	-178	0	0	0	0	0	112.4	L297	L297-G299 PolarHBondContact O-N 2.86Å
300	M	87.8	Confident	95.5	Very high	68 Å²	68	43.3 Å²	43.3	34%	0.335	23%	0.233	S	C	.	.			trans	-102.9	78.5	-179.3	-61.4	-167.1	-61	0	0	109.9	P298 Y302 E397 I398	P298-M300 WeakPolarHBondContact O-CG 3.41Å; P298-M300 PolarHBondContact O-N 3.34Å; M300-Y302 HydrophobicContact CB-CE2 3.95Å; M300-Y302 WeakPolarHBondContact O-CD2 3.41Å; M300-E397 HydrophobicContact CE-CG 4.33Å; M300-I398 PolarHBondContact O-N 3.09Å
301	Y	97.4	Very high	95.5	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.3	-177.2	-48.6	-78.8	0	0	0	111.7	R285 F286 V288 L366 P367 I398	R285-Y301 WeakPolarHBondContact CA-O 3.4Å; F286-Y301 PolarHBondContact N-O 3.04Å; V288-Y301 HydrophobicContact CB-CE2 4.35Å; V288-Y301 HydrophobicContact CG2-CD2 4Å; V288-Y301 HydrophobicContact CG2-CE2 3.62Å; Y301-L366 HydrophobicContact CD1-CB 4.05Å; Y301-L366 HydrophobicContact CD1-CD2 4.1Å; Y301-L366 HydrophobicContact CD2-CD1 4.46Å; Y301-L366 HydrophobicContact CE1-CB 3.94Å; Y301-L366 HydrophobicContact CE2-CB 4.44Å; Y301-L366 HydrophobicContact CG-CB 4.36Å; Y301-L366 HydrophobicContact CG-CD2 4.04Å; Y301-P367 HydrophobicContact CE1-CG 4.27Å; Y301-P367 WeakPolarHBondContact CE1-O 3.24Å; Y301-P367 PolarHBondContact OH-O 3.03Å; Y301-I398 CarbonylContact C-O 3.54Å; Y301-I398 WeakPolarHBondContact CA-O 3.44Å; Y301-I398 HydrophobicContact CD1-CB 4Å; Y301-I398 HydrophobicContact CD1-CD1 3.95Å; Y301-I398 HydrophobicContact CD1-CG2 3.96Å; Y301-I398 HydrophobicContact CE1-CD1 3.7Å; Y301-I398 HydrophobicContact CE1-CG2 4.42Å
302	Y	97.5	Very high	95.6	Very high	36 Å²	36	43 Å²	43	14%	0.141	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.4	179.8	-67.3	-90.2	0	0	0	112	N283 T284 R285 M300 E397 I398 W399 C400	N283-Y302 HydrophobicContact CB-CD1 4.09Å; T284-Y302 CarbonylContact O-C 3.52Å; T284-Y302 VanDerWaalsContact O-CA 3.3Å; T284-Y302 WeakPolarHBondContact O-CA 3.47Å; R285-Y302 HydrophobicContact CB-CD1 4.14Å; R285-Y302 HydrophobicContact CB-CE1 4.11Å; R285-Y302 HydrophobicContact CG-CD1 4.36Å; R285-Y302 HydrophobicContact CG-CE1 4.09Å; M300-Y302 HydrophobicContact CB-CE2 3.95Å; M300-Y302 WeakPolarHBondContact O-CD2 3.41Å; Y302-E397 HydrophobicContact CD2-CB 3.75Å; Y302-E397 HydrophobicContact CD2-CG 3.95Å; Y302-E397 HydrophobicContact CE2-CB 3.86Å; Y302-E397 HydrophobicContact CE2-CG 3.52Å; Y302-E397 WeakPolarHBondContact CE2-OE1 3.32Å; Y302-E397 PolarHBondContact OH-OE1 2.72Å; Y302-I398 PolarHBondContact N-O 3.37Å; Y302-W399 CarbonylContact O-C 3.58Å; Y302-W399 WeakPolarHBondContact O-CA 3.44Å; Y302-C400 WeakPolarHBondContact O-CB 3.38Å; Y302-C400 PolarHBondContact O-N 3.24Å
303	S	98	Very high	95.8	Very high	4 Å²	4	38 Å²	38	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	162	170.5	167.4	0	0	0	0	109.2	T284 F364 C400	T284-S303 PolarHBondContact N-O 2.9Å; T284-S303 PolarHBondContact O-N 2.92Å; S303-F364 WeakPolarHBondContact OG-CE1 3.23Å; S303-C400 WeakPolarHBondContact CB-O 3.39Å
304	M	97.3	Very high	95.9	Very high	129 Å²	129	33.8 Å²	33.8	64%	0.635	18%	0.182	S	C	*	.	S	Bend	trans	-51.3	149.9	162.8	-66.5	-61.3	-72.1	0	0	110.9	T284 F306 W399	T284-M304 PolarHBondContact OG1-O 2.81Å; M304-F306 WeakPolarHBondContact O-CD1 3.44Å; M304-F306 PolarHBondContact O-N 3.03Å; M304-W399 HydrophobicContact SD-CZ3 4.22Å
305	P	97.8	Very high	96	Very high	28 Å²	28	33.5 Å²	33.5	18%	0.182	18%	0.178	C	C	.	.			trans	-53.1	130.5	179.6	-26.3	34	0	0	0	112.7	P254 W278 P280	P254-P305 HydrophobicContact CG-CB 3.7Å; W278-P305 HydrophobicContact CH2-CB 3.91Å; W278-P305 HydrophobicContact CZ2-CB 3.85Å; P280-P305 HydrophobicContact CB-CB 4.28Å; P280-P305 HydrophobicContact CB-CG 4.38Å; P280-P305 WeakPolarHBondContact O-CG 3.1Å
306	F	97.9	Very high	96	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	16%	0.164	C	C	.	.			trans	-150.4	160.9	166.5	66	-96	0	0	0	109.9	V251 P254 T284 F286 M304 T308 L325 C327 Q328 F364	V251-F306 HydrophobicContact CG1-CE2 4.17Å; V251-F306 HydrophobicContact CG1-CZ 4.02Å; P254-F306 VanDerWaalsContact CD-O 3.23Å; P254-F306 WeakPolarHBondContact CD-O 3.23Å; T284-F306 HydrophobicContact CG2-CD1 4.21Å; T284-F306 HydrophobicContact CG2-CE1 3.57Å; T284-F306 HydrophobicContact CG2-CE2 4.35Å; T284-F306 HydrophobicContact CG2-CZ 3.66Å; T284-F306 PolarHBondContact OG1-N 3.38Å; F286-F306 HydrophobicContact CE1-CZ 4.2Å; F286-F306 AromaticContact CZ-CE1 3.95Å; F286-F306 HydrophobicContact CZ-CE1 3.95Å; F286-F306 AromaticContact CZ-CZ 3.78Å; F286-F306 HydrophobicContact CZ-CZ 3.78Å; M304-F306 WeakPolarHBondContact O-CD1 3.44Å; M304-F306 PolarHBondContact O-N 3.03Å; F306-T308 HydrophobicContact CD2-CG2 4.43Å; F306-T308 HydrophobicContact CE2-CG2 3.82Å; F306-L325 HydrophobicContact CE2-CD1 3.9Å; F306-L325 HydrophobicContact CZ-CD1 3.9Å; F306-C327 HydrophobicContact CD2-CB 4.15Å; F306-Q328 CarbonylContact C-O 3.59Å; F306-Q328 WeakPolarHBondContact CA-O 3.26Å; F306-Q328 WeakPolarHBondContact CB-O 3.14Å; F306-F364 AromaticContact CD1-CZ 3.98Å; F306-F364 HydrophobicContact CD1-CZ 3.98Å; F306-F364 AromaticContact CE1-CE1 3.97Å; F306-F364 HydrophobicContact CE1-CE1 3.97Å; F306-F364 HydrophobicContact CE1-CE2 4.02Å; F306-F364 AromaticContact CE1-CZ 3.39Å; F306-F364 HydrophobicContact CE1-CZ 3.39Å; F306-F364 AromaticContact CZ-CE2 3.95Å; F306-F364 HydrophobicContact CZ-CE2 3.95Å; F306-F364 AromaticContact CZ-CZ 3.82Å; F306-F364 HydrophobicContact CZ-CZ 3.82Å
307	L	97.4	Very high	96.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.1	166.7	161	68.4	0	0	0	108.9	V255 W278 Y309 C327 Q328 S333	V255-L307 HydrophobicContact CG2-CB 4.35Å; V255-L307 HydrophobicContact CG2-CD1 3.82Å; W278-L307 HydrophobicContact CZ3-CB 4.24Å; L307-Y309 HydrophobicContact CD1-CD1 4.47Å; L307-Y309 HydrophobicContact CD1-CE1 4.24Å; L307-Y309 HydrophobicContact CD1-CE2 4.47Å; L307-Y309 HydrophobicContact CD2-CD2 4.4Å; L307-Y309 HydrophobicContact CD2-CE2 3.67Å; L307-Y309 HydrophobicContact CG-CE2 4.3Å; L307-C327 CarbonylContact O-C 3.59Å; L307-C327 WeakPolarHBondContact O-CA 3.22Å; L307-Q328 HydrophobicContact CB-CB 4.31Å; L307-Q328 PolarHBondContact N-O 3Å; L307-Q328 PolarHBondContact O-N 3.39Å; L307-S333 WeakPolarHBondContact CD2-OG 3.5Å
308	T	98.2	Very high	96.2	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.043	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.6	165.5	-178.5	0	0	0	0	109.3	V251 Q253 F306 H310 L325 C326	V251-T308 HydrophobicContact CB-CG2 4.44Å; V251-T308 HydrophobicContact CG1-CG2 4.2Å; Q253-T308 PolarHBondContact NE2-O 3.13Å; Q253-T308 PolarHBondContact OE1-O 3.38Å; F306-T308 HydrophobicContact CD2-CG2 4.43Å; F306-T308 HydrophobicContact CE2-CG2 3.82Å; T308-H310 PolarHBondContact OG1-O 3Å; T308-L325 HydrophobicContact CG2-CD1 4.33Å; T308-C326 WeakPolarHBondContact CA-O 3.16Å; T308-C326 WeakPolarHBondContact CB-O 3.25Å; T308-C326 PolarHBondContact OG1-O 3.02Å; T308-C326 VanDerWaalsContact OG1-O 3.11Å
309	Y	97.4	Very high	96.5	Very high	16 Å²	16	28.5 Å²	28.5	6%	0.063	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-52	165.9	-68.3	-68.4	0	0	0	110	Y237 H239 S240 L307 S333 L334	Y237-Y309 HydrophobicContact CE1-CD1 4.1Å; Y237-Y309 AromaticContact CE1-CE1 3.82Å; Y237-Y309 HydrophobicContact CE1-CE1 3.82Å; H239-Y309 HydrophobicContact CB-CD1 4.07Å; H239-Y309 WeakPolarHBondContact CB-O 3.21Å; H239-Y309 PolarHBondContact CD2-O 2.81Å; S240-Y309 WeakPolarHBondContact CB-O 3.38Å; S240-Y309 PolarHBondContact N-O 3.48Å; S240-Y309 PolarHBondContact OG-O 3.17Å; L307-Y309 HydrophobicContact CD1-CD1 4.47Å; L307-Y309 HydrophobicContact CD1-CE1 4.24Å; L307-Y309 HydrophobicContact CD1-CE2 4.47Å; L307-Y309 HydrophobicContact CD2-CD2 4.4Å; L307-Y309 HydrophobicContact CD2-CE2 3.67Å; L307-Y309 HydrophobicContact CG-CE2 4.3Å; Y309-S333 PolarHBondContact OH-OG 3.26Å; Y309-L334 HydrophobicContact CE1-CD2 4.21Å; Y309-L334 VanDerWaalsContact OH-CD2 3.27Å; Y309-L334 WeakPolarHBondContact OH-CD2 3.44Å; Y309-L334 WeakPolarHBondContact OH-CG 2.94Å
310	H	98.6	Very high	97.4	Very high	15 Å²	15	27.9 Å²	27.9	7%	0.069	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.6	-170.3	-54.1	106.9	0	0	0	112.3	H179 H239 S240 T308 C326 E417 P419 H526	H179-H310 AromaticContact CE1-CD2 3.86Å; H179-H310 AromaticContact CE1-NE2 3.99Å; H179-H310 AromaticContact NE2-NE2 3.98Å; H239-H310 AromaticContact CD2-CD2 3.72Å; H239-H310 AromaticContact CD2-NE2 3.48Å; H239-H310 PolarHBondContact CD2-NE2 3Å; H239-H310 AromaticContact NE2-CD2 3.94Å; H239-H310 AromaticContact NE2-NE2 3.31Å; H239-H310 PolarHBondContact NE2-NE2 2.87Å; S240-H310 WeakPolarHBondContact OG-CA 3.38Å; T308-H310 PolarHBondContact OG1-O 3Å; H310-C326 PolarHBondContact O-N 2.84Å; H310-E417 IonicContact CE1-OE2 2.84Å; H310-E417 IonicContact CG-OE2 2.8Å; H310-E417 IonicContact ND1-OE2 2.74Å; H310-E417 PolarHBondContact ND1-OE2 3.37Å; H310-P419 VanDerWaalsContact CB-CD 3.41Å; H310-P419 HydrophobicContact CB-CG 3.52Å; H310-H526 AromaticContact CD2-CE1 3.93Å; H310-H526 AromaticContact CE1-CE1 3.96Å; H310-H526 AromaticContact NE2-CE1 3.19Å; H310-H526 PolarHBondContact NE2-CE1 2.69Å; H310-H526 AromaticContact NE2-NE2 3.54Å
311	Q	98.3	Very high	97.9	Very high	19 Å²	19	24.6 Å²	24.6	9%	0.089	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.6	159.8	176.4	-100.1	10	0	0	109.9	H181 S240 N313 I323 L325	H181-Q311 PolarHBondContact CE1-OE1 3.04Å; H181-Q311 PolarHBondContact NE2-OE1 3.4Å; S240-Q311 PolarHBondContact OG-N 3.49Å; Q311-N313 PolarHBondContact NE2-O 2.58Å; Q311-I323 HydrophobicContact CG-CG1 4.45Å; Q311-L325 HydrophobicContact CB-CD2 3.79Å; Q311-L325 HydrophobicContact CG-CD2 4Å
312	I	98.9	Very high	98	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.036	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-60.5	176.9	-56.2	172.5	0	0	0	109.1	D324 P361 P419 I421 Y431 F434	I312-D324 HydrophobicContact CB-CB 4.03Å; I312-D324 WeakPolarHBondContact CB-O 3.24Å; I312-D324 HydrophobicContact CD1-CB 4.32Å; I312-D324 PolarHBondContact N-O 2.83Å; I312-P361 HydrophobicContact CD1-CB 3.71Å; I312-P419 HydrophobicContact CB-CB 4.23Å; I312-P419 HydrophobicContact CG1-CB 3.75Å; I312-P419 HydrophobicContact CG1-CG 4Å; I312-P419 HydrophobicContact CG2-CB 4.24Å; I312-I421 HydrophobicContact CG2-CG2 4.29Å; I312-Y431 HydrophobicContact CG2-CE2 4.33Å; I312-Y431 WeakPolarHBondContact CG2-OH 3.34Å; I312-F434 HydrophobicContact CD1-CD2 4.49Å; I312-F434 HydrophobicContact CD1-CE1 4.15Å; I312-F434 HydrophobicContact CD1-CE2 4.12Å; I312-F434 HydrophobicContact CD1-CZ 3.96Å; I312-F434 HydrophobicContact CG2-CB 3.63Å; I312-F434 HydrophobicContact CG2-CD1 3.88Å; I312-F434 HydrophobicContact CG2-CD2 3.96Å; I312-F434 HydrophobicContact CG2-CG 3.57Å
313	N	98.8	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	164.9	173.5	-160.7	5.2	0	0	0	109.9	Q311 D324 I421 F426 G428 K429 Y431	Q311-N313 PolarHBondContact NE2-O 2.58Å; N313-D324 PolarHBondContact O-N 3.2Å; N313-I421 HydrophobicContact CB-CD1 4.11Å; N313-F426 PolarHBondContact ND2-O 3.25Å; N313-G428 PolarHBondContact OD1-N 3.13Å; N313-G428 VanDerWaalsContact OD1-N 3.11Å; N313-K429 PolarHBondContact ND2-O 2.84Å; N313-Y431 HydrophobicContact CB-CD1 3.96Å; N313-Y431 HydrophobicContact CB-CE1 3.6Å; N313-Y431 HydrophobicContact CB-CE2 4.3Å; N313-Y431 HydrophobicContact CB-CG 4.49Å; N313-Y431 WeakPolarHBondContact ND2-CD1 3.23Å
314	A	98.8	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142.6	171	0	0	0	0	0	109.5	T244 I249 V322 I323 G428	T244-A314 HydrophobicContact CG2-CB 3.89Å; I249-A314 HydrophobicContact CD1-CB 4.24Å; A314-V322 CarbonylContact C-O 3.55Å; A314-V322 WeakPolarHBondContact CA-O 3.32Å; A314-I323 HydrophobicContact CB-CB 4.28Å; A314-I323 HydrophobicContact CB-CG1 4.17Å; A314-G428 CarbonylContact O-C 3.57Å; A314-G428 WeakPolarHBondContact O-CA 3.28Å; A314-G428 PolarHBondContact O-N 3.37Å
315	F	98.8	Very high	98.1	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	168.1	178.7	62.5	-89.8	0	0	0	112.1	D317 I321 V322 K430 Y431	F315-D317 HydrophobicContact CD2-CB 4.19Å; F315-D317 HydrophobicContact CE2-CB 3.97Å; F315-I321 CarbonylContact O-C 3.59Å; F315-I321 WeakPolarHBondContact O-CA 3.36Å; F315-V322 HydrophobicContact CD1-CB 4.1Å; F315-V322 HydrophobicContact CD1-CG1 4.43Å; F315-V322 HydrophobicContact CD2-CB 4.12Å; F315-V322 HydrophobicContact CD2-CG2 4.19Å; F315-V322 HydrophobicContact CE1-CB 3.7Å; F315-V322 HydrophobicContact CE1-CG1 3.64Å; F315-V322 HydrophobicContact CE1-CG2 4.42Å; F315-V322 HydrophobicContact CE2-CB 3.73Å; F315-V322 HydrophobicContact CE2-CG1 4.28Å; F315-V322 HydrophobicContact CE2-CG2 3.59Å; F315-V322 HydrophobicContact CG-CB 4.29Å; F315-V322 HydrophobicContact CZ-CB 3.51Å; F315-V322 HydrophobicContact CZ-CG1 3.56Å; F315-V322 HydrophobicContact CZ-CG2 3.73Å; F315-V322 PolarHBondContact N-O 3.06Å; F315-V322 PolarHBondContact O-N 3.47Å; F315-K430 HydrophobicContact CD2-CB 3.93Å; F315-K430 HydrophobicContact CD2-CG 4.34Å; F315-K430 HydrophobicContact CE2-CB 3.96Å; F315-K430 HydrophobicContact CE2-CD 4.24Å; F315-K430 HydrophobicContact CE2-CG 3.85Å; F315-K430 HydrophobicContact CG-CB 4.36Å; F315-K430 HydrophobicContact CZ-CB 4.43Å; F315-K430 HydrophobicContact CZ-CG 4.03Å; F315-Y431 HydrophobicContact CD1-CD1 4.19Å; F315-Y431 HydrophobicContact CD1-CE1 4.38Å; F315-Y431 HydrophobicContact CE1-CD1 4.11Å; F315-Y431 HydrophobicContact CE1-CE1 4.11Å
316	E	98.5	Very high	98.2	Very high	58 Å²	58	15.2 Å²	15.2	27%	0.271	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.5	176.2	-66.1	160.9	-116.4	0	0	109.7	T244 K245 N246 Y247 C320 I321	T244-E316 WeakPolarHBondContact CB-OE1 3Å; T244-E316 HydrophobicContact CG2-CG 4.25Å; T244-E316 PolarHBondContact OG1-OE1 3.42Å; K245-E316 WeakPolarHBondContact CB-OE1 3.36Å; K245-E316 PolarHBondContact N-OE1 2.91Å; N246-E316 WeakPolarHBondContact CB-OE1 3.23Å; N246-E316 PolarHBondContact N-OE1 2.95Å; N246-E316 PolarHBondContact ND2-OE1 2.77Å; N246-E316 PolarHBondContact ND2-OE2 3.23Å; Y247-E316 HydrophobicContact CD2-CG 3.93Å; Y247-E316 HydrophobicContact CE2-CG 4.15Å; Y247-E316 WeakPolarHBondContact CE2-OE2 3.38Å; E316-C320 CarbonylContact C-O 3.52Å; E316-C320 WeakPolarHBondContact CA-O 3.43Å; E316-I321 HydrophobicContact CG-CG1 4.49Å
317	D	97.8	Very high	98.2	Very high	34 Å²	34	15.1 Å²	15.1	18%	0.182	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	134.5	173.1	-163.4	-0.8	0	0	0	110.1	F315 G319 C320 L383 Y385 K430	F315-D317 HydrophobicContact CD2-CB 4.19Å; F315-D317 HydrophobicContact CE2-CB 3.97Å; D317-G319 VanDerWaalsContact C-N 3.32Å; D317-G319 PolarHBondContact O-N 2.96Å; D317-G319 VanDerWaalsContact O-N 3.15Å; D317-C320 PolarHBondContact N-O 2.93Å; D317-C320 WeakPolarHBondContact O-CB 3.45Å; D317-C320 PolarHBondContact O-N 2.89Å; D317-L383 HydrophobicContact CB-CD2 4.16Å; D317-Y385 WeakPolarHBondContact OD2-CE1 3.49Å; D317-Y385 PolarHBondContact OD2-OH 3Å; D317-K430 IonicContact OD2-NZ 3.34Å; D317-K430 PolarHBondContact OD2-NZ 2.82Å
318	Q	96.7	Very high	98.2	Very high	112 Å²	112	15.2 Å²	15.2	52%	0.523	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	42	49.4	177.6	-66.1	169.2	64.5	0	0	115.2	C320 P382 L383	Q318-C320 VanDerWaalsContact C-N 3.25Å; Q318-C320 PolarHBondContact O-N 3.37Å; Q318-P382 HydrophobicContact CB-CG 4.05Å; Q318-P382 WeakPolarHBondContact O-CG 3.22Å; Q318-L383 HydrophobicContact CB-CD2 3.84Å; Q318-L383 HydrophobicContact CG-CD2 4.36Å
319	G	95.7	Very high	98	Very high	42 Å²	42	19.5 Å²	19.5	43%	0.433	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	13.8	178.3	0	0	0	0	0	114.6	D317 L368	D317-G319 VanDerWaalsContact C-N 3.32Å; D317-G319 PolarHBondContact O-N 2.96Å; D317-G319 VanDerWaalsContact O-N 3.15Å; G319-L368 WeakPolarHBondContact O-CB 3.42Å; G319-L368 PolarHBondContact O-N 3.11Å
320	C	97.5	Very high	97.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.3	175.8	-60.4	0	0	0	0	111.1	E316 D317 Q318 V365 L366 P382 L383	E316-C320 CarbonylContact C-O 3.52Å; E316-C320 WeakPolarHBondContact CA-O 3.43Å; D317-C320 PolarHBondContact N-O 2.93Å; D317-C320 WeakPolarHBondContact O-CB 3.45Å; D317-C320 PolarHBondContact O-N 2.89Å; Q318-C320 VanDerWaalsContact C-N 3.25Å; Q318-C320 PolarHBondContact O-N 3.37Å; C320-V365 HydrophobicContact CB-CG1 3.68Å; C320-L366 CarbonylContact C-O 3.58Å; C320-L366 WeakPolarHBondContact CA-O 3.21Å; C320-P382 WeakPolarHBondContact SG-CD 3.48Å; C320-L383 HydrophobicContact CB-CD1 4.34Å
321	I	98.6	Very high	97.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.6	159.4	-64.1	168.5	0	0	0	108	T244 Y247 I249 V288 F315 E316 V365 L366 L368	T244-I321 HydrophobicContact CG2-CG2 3.94Å; Y247-I321 HydrophobicContact CD2-CD1 3.84Å; Y247-I321 HydrophobicContact CD2-CG1 4.02Å; Y247-I321 HydrophobicContact CG-CD1 3.8Å; Y247-I321 HydrophobicContact CG-CG1 4.48Å; I249-I321 HydrophobicContact CD1-CD1 4.31Å; I249-I321 HydrophobicContact CD1-CG2 3.87Å; I249-I321 HydrophobicContact CG1-CD1 4.1Å; I249-I321 HydrophobicContact CG1-CG2 3.95Å; V288-I321 HydrophobicContact CB-CD1 4.39Å; V288-I321 HydrophobicContact CG1-CD1 3.39Å; V288-I321 HydrophobicContact CG2-CD1 4.03Å; F315-I321 CarbonylContact O-C 3.59Å; F315-I321 WeakPolarHBondContact O-CA 3.36Å; E316-I321 HydrophobicContact CG-CG1 4.49Å; I321-V365 CarbonylContact O-C 3.59Å; I321-V365 WeakPolarHBondContact O-CA 3.22Å; I321-L366 HydrophobicContact CB-CB 4.25Å; I321-L366 PolarHBondContact N-O 2.88Å; I321-L366 PolarHBondContact O-N 3.15Å; I321-L368 HydrophobicContact CD1-CD2 3.68Å; I321-L368 HydrophobicContact CD1-CG 4.48Å; I321-L368 HydrophobicContact CG1-CD1 4.22Å; I321-L368 HydrophobicContact CG1-CD2 3.93Å; I321-L368 HydrophobicContact CG1-CG 4.19Å
322	V	98.8	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.3	167	-173.7	0	0	0	0	107.7	A314 F315 R363 F364 V365 L383	A314-V322 CarbonylContact C-O 3.55Å; A314-V322 WeakPolarHBondContact CA-O 3.32Å; F315-V322 HydrophobicContact CD1-CB 4.1Å; F315-V322 HydrophobicContact CD1-CG1 4.43Å; F315-V322 HydrophobicContact CD2-CB 4.12Å; F315-V322 HydrophobicContact CD2-CG2 4.19Å; F315-V322 HydrophobicContact CE1-CB 3.7Å; F315-V322 HydrophobicContact CE1-CG1 3.64Å; F315-V322 HydrophobicContact CE1-CG2 4.42Å; F315-V322 HydrophobicContact CE2-CB 3.73Å; F315-V322 HydrophobicContact CE2-CG1 4.28Å; F315-V322 HydrophobicContact CE2-CG2 3.59Å; F315-V322 HydrophobicContact CG-CB 4.29Å; F315-V322 HydrophobicContact CZ-CB 3.51Å; F315-V322 HydrophobicContact CZ-CG1 3.56Å; F315-V322 HydrophobicContact CZ-CG2 3.73Å; F315-V322 PolarHBondContact N-O 3.06Å; F315-V322 PolarHBondContact O-N 3.47Å; V322-R363 HydrophobicContact CG1-CG 3.68Å; V322-F364 WeakPolarHBondContact CA-O 3.39Å; V322-V365 HydrophobicContact CG2-CG2 4.43Å; V322-L383 HydrophobicContact CG2-CD1 3.57Å
323	I	98.8	Very high	96.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.1	177.1	-175.1	169.8	0	0	0	110.2	I249 F286 Q311 A314 L325 R363 F364	I249-I323 HydrophobicContact CB-CD1 3.99Å; I249-I323 HydrophobicContact CG2-CD1 3.77Å; F286-I323 HydrophobicContact CE1-CG2 4.39Å; Q311-I323 HydrophobicContact CG-CG1 4.45Å; A314-I323 HydrophobicContact CB-CB 4.28Å; A314-I323 HydrophobicContact CB-CG1 4.17Å; I323-L325 HydrophobicContact CD1-CD2 3.89Å; I323-L325 HydrophobicContact CD1-CG 4.4Å; I323-L325 HydrophobicContact CG1-CD2 3.84Å; I323-L325 HydrophobicContact CG1-CG 4.07Å; I323-R363 WeakPolarHBondContact O-CA 3.3Å; I323-F364 HydrophobicContact CG2-CB 3.78Å; I323-F364 PolarHBondContact N-O 3.26Å; I323-F364 PolarHBondContact O-N 2.79Å
324	D	98.9	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.3	179.8	-62.6	-16.5	0	0	0	108.9	I312 N313 R362 R363 L405 Y431	I312-D324 HydrophobicContact CB-CB 4.03Å; I312-D324 WeakPolarHBondContact CB-O 3.24Å; I312-D324 HydrophobicContact CD1-CB 4.32Å; I312-D324 PolarHBondContact N-O 2.83Å; N313-D324 PolarHBondContact O-N 3.2Å; D324-R362 WeakPolarHBondContact CA-O 3.49Å; D324-R363 WeakPolarHBondContact OD1-CA 3.4Å; D324-R363 WeakPolarHBondContact OD1-CB 3.43Å; D324-R363 VanDerWaalsContact OD1-CG 3.25Å; D324-R363 WeakPolarHBondContact OD1-CG 3.32Å; D324-R363 IonicContact OD1-CZ 2.72Å; D324-R363 IonicContact OD1-NE 2.67Å; D324-R363 PolarHBondContact OD1-NE 3.49Å; D324-R363 IonicContact OD1-NH2 3.29Å; D324-R363 IonicContact OD2-CZ 2.6Å; D324-R363 IonicContact OD2-NE 3.72Å; D324-R363 PolarHBondContact OD2-NE 3.06Å; D324-R363 IonicContact OD2-NH2 2.78Å; D324-R363 PolarHBondContact OD2-NH2 2.76Å; D324-L405 HydrophobicContact CB-CD1 3.99Å; D324-Y431 WeakPolarHBondContact CB-OH 3.44Å; D324-Y431 WeakPolarHBondContact OD2-CE1 3.38Å; D324-Y431 VanDerWaalsContact OD2-CZ 3.28Å; D324-Y431 PolarHBondContact OD2-OH 3.28Å
325	L	98.8	Very high	95.5	Very high	3 Å²	3	30 Å²	30	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.6	-170.9	-60.4	176.1	0	0	0	111.1	V251 F286 F306 T308 Q311 I323 P361 R362 F364	V251-L325 HydrophobicContact CG2-CD1 4.23Å; F286-L325 HydrophobicContact CE1-CD1 4.15Å; F306-L325 HydrophobicContact CE2-CD1 3.9Å; F306-L325 HydrophobicContact CZ-CD1 3.9Å; T308-L325 HydrophobicContact CG2-CD1 4.33Å; Q311-L325 HydrophobicContact CB-CD2 3.79Å; Q311-L325 HydrophobicContact CG-CD2 4Å; I323-L325 HydrophobicContact CD1-CD2 3.89Å; I323-L325 HydrophobicContact CD1-CG 4.4Å; I323-L325 HydrophobicContact CG1-CD2 3.84Å; I323-L325 HydrophobicContact CG1-CG 4.07Å; L325-P361 CarbonylContact O-C 3.58Å; L325-P361 WeakPolarHBondContact O-CA 3.46Å; L325-R362 PolarHBondContact N-O 3.45Å; L325-R362 PolarHBondContact O-N 2.85Å; L325-F364 HydrophobicContact CD1-CD2 4.13Å; L325-F364 HydrophobicContact CD1-CE2 4.1Å
326	C	98.5	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	106.6	162.9	-67.8	0	0	0	0	109.3	T308 H310 S359	T308-C326 WeakPolarHBondContact CA-O 3.16Å; T308-C326 WeakPolarHBondContact CB-O 3.25Å; T308-C326 PolarHBondContact OG1-O 3.02Å; T308-C326 VanDerWaalsContact OG1-O 3.11Å; H310-C326 PolarHBondContact O-N 2.84Å; C326-S359 WeakPolarHBondContact CB-OG 3.41Å
327	C	98.4	Very high	94.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.2	-171.4	-66.5	0	0	0	0	113.2	F306 L307 S359 F360 R362	F306-C327 HydrophobicContact CD2-CB 4.15Å; L307-C327 CarbonylContact O-C 3.59Å; L307-C327 WeakPolarHBondContact O-CA 3.22Å; C327-S359 CarbonylContact O-C 3.57Å; C327-S359 VanDerWaalsContact O-CA 3.32Å; C327-S359 WeakPolarHBondContact O-CA 3.26Å; C327-F360 PolarHBondContact N-O 2.88Å; C327-F360 PolarHBondContact O-N 2.96Å; C327-R362 HydrophobicContact CB-CB 4.36Å; C327-R362 HydrophobicContact CB-CG 4.1Å
328	Q	97.4	Very high	94.7	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.019	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.9	168.5	-63.2	176.5	23.1	0	0	109.9	F306 L307 D330 S333 A357	F306-Q328 CarbonylContact C-O 3.59Å; F306-Q328 WeakPolarHBondContact CA-O 3.26Å; F306-Q328 WeakPolarHBondContact CB-O 3.14Å; L307-Q328 HydrophobicContact CB-CB 4.31Å; L307-Q328 PolarHBondContact N-O 3Å; L307-Q328 PolarHBondContact O-N 3.39Å; Q328-D330 WeakPolarHBondContact CB-O 3.3Å; Q328-D330 PolarHBondContact O-N 2.72Å; Q328-S333 PolarHBondContact OE1-OG 3.42Å; Q328-A357 HydrophobicContact CB-CB 4.01Å; Q328-A357 HydrophobicContact CG-CB 4.43Å
329	D	95	Very high	94.7	Very high	96 Å²	96	24 Å²	24	51%	0.513	13%	0.127	S	C	.	.	S	Bend	trans	-75.3	-7.6	-178.9	-68.2	-39.5	0	0	0	113.9	R362	D329-R362 VanDerWaalsContact CG-NH2 3.26Å; D329-R362 IonicContact OD1-CZ 2.72Å; D329-R362 IonicContact OD1-NH1 3.53Å; D329-R362 PolarHBondContact OD1-NH1 2.65Å; D329-R362 IonicContact OD1-NH2 2.76Å; D329-R362 PolarHBondContact OD1-NH2 2.9Å; D329-R362 IonicContact OD2-NH2 3.25Å; D329-R362 PolarHBondContact OD2-NH2 2.89Å
330	D	92.6	Very high	94.7	Very high	21 Å²	21	28.8 Å²	28.8	11%	0.112	14%	0.138	C	C	.	.			trans	-144.6	164.2	168.2	76.7	69.6	0	0	0	112.5	W278 Q328 R332	W278-D330 HydrophobicContact CZ2-CB 4.37Å; Q328-D330 WeakPolarHBondContact CB-O 3.3Å; Q328-D330 PolarHBondContact O-N 2.72Å; D330-R332 VanDerWaalsContact OD1-CB 3.23Å; D330-R332 WeakPolarHBondContact OD1-CB 3.44Å; D330-R332 WeakPolarHBondContact OD1-CG 3.31Å; D330-R332 PolarHBondContact OD1-N 2.91Å; D330-R332 IonicContact OD1-NE 3.77Å; D330-R332 PolarHBondContact OD1-NE 3.49Å; D330-R332 VanDerWaalsContact OD1-NE 3.11Å; D330-R332 IonicContact OD2-CZ 3.43Å; D330-R332 IonicContact OD2-NE 3.29Å; D330-R332 PolarHBondContact OD2-NE 2.89Å; D330-R332 IonicContact OD2-NH2 2.86Å; D330-R332 PolarHBondContact OD2-NH2 3.45Å
331	G	89.6	Confident	94.5	Very high	6 Å²	6	30 Å²	30	6%	0.062	14%	0.144	C	C	.	.	S	Bend	trans	-103.7	25.1	-176.9	0	0	0	0	0	115.2	W278	W278-G331 VanDerWaalsContact CE3-CA 3.41Å; W278-G331 VanDerWaalsContact CE3-N 3.27Å
332	R	88.6	Confident	94.3	Very high	136 Å²	136	30 Å²	30	51%	0.513	15%	0.145	S	C	.	.			trans	-89	-2.3	-175.5	-59.4	174.7	-70.3	-178.3	-1.8	113.4	W278 D330 L334 D335 L336	W278-R332 HydrophobicContact CB-CG 4.44Å; D330-R332 VanDerWaalsContact OD1-CB 3.23Å; D330-R332 WeakPolarHBondContact OD1-CB 3.44Å; D330-R332 WeakPolarHBondContact OD1-CG 3.31Å; D330-R332 PolarHBondContact OD1-N 2.91Å; D330-R332 IonicContact OD1-NE 3.77Å; D330-R332 PolarHBondContact OD1-NE 3.49Å; D330-R332 VanDerWaalsContact OD1-NE 3.11Å; D330-R332 IonicContact OD2-CZ 3.43Å; D330-R332 IonicContact OD2-NE 3.29Å; D330-R332 PolarHBondContact OD2-NE 2.89Å; D330-R332 IonicContact OD2-NH2 2.86Å; D330-R332 PolarHBondContact OD2-NH2 3.45Å; R332-L334 VanDerWaalsContact C-N 3.28Å; R332-L334 PolarHBondContact O-N 3.28Å; R332-D335 PolarHBondContact O-N 2.95Å; R332-D335 VanDerWaalsContact O-N 3.08Å; R332-L336 PolarHBondContact O-N 3.04Å
333	S	88.2	Confident	94.2	Very high	4 Å²	4	33 Å²	33	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-51.7	-39.9	178.2	49.8	0	0	0	0	113.8	L307 Y309 Q328 D335 L336 Y337	L307-S333 WeakPolarHBondContact CD2-OG 3.5Å; Y309-S333 PolarHBondContact OH-OG 3.26Å; Q328-S333 PolarHBondContact OE1-OG 3.42Å; S333-D335 VanDerWaalsContact C-N 3.25Å; S333-D335 PolarHBondContact O-N 3.4Å; S333-L336 WeakPolarHBondContact O-CB 3.35Å; S333-L336 PolarHBondContact O-N 2.82Å; S333-Y337 WeakPolarHBondContact O-CD2 3.39Å; S333-Y337 PolarHBondContact O-N 3.12Å
334	L	88.2	Confident	94	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.058	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-35.8	178.6	-67.7	174.6	0	0	0	112.6	H58 F60 F102 I276 Y309 R332 L336	H58-L334 PolarHBondContact NE2-O 2.68Å; F60-L334 HydrophobicContact CE2-CD2 3.78Å; F60-L334 HydrophobicContact CZ-CD2 4.49Å; F102-L334 HydrophobicContact CZ-CD1 4.31Å; F102-L334 HydrophobicContact CZ-CD2 4.07Å; I276-L334 HydrophobicContact CD1-CD1 4.3Å; I276-L334 HydrophobicContact CG2-CD1 3.8Å; Y309-L334 HydrophobicContact CE1-CD2 4.21Å; Y309-L334 VanDerWaalsContact OH-CD2 3.27Å; Y309-L334 WeakPolarHBondContact OH-CD2 3.44Å; Y309-L334 WeakPolarHBondContact OH-CG 2.94Å; R332-L334 VanDerWaalsContact C-N 3.28Å; R332-L334 PolarHBondContact O-N 3.28Å; L334-L336 VanDerWaalsContact C-N 3.31Å
335	D	89.3	Confident	93.7	Very high	99 Å²	99	39.5 Å²	39.5	53%	0.529	20%	0.195	S	C	.	.	H	α-helix	trans	-74.9	-24.9	177.3	-68.1	-33.5	0	0	0	112.1	R332 S333 Q338 N341	R332-D335 PolarHBondContact O-N 2.95Å; R332-D335 VanDerWaalsContact O-N 3.08Å; S333-D335 VanDerWaalsContact C-N 3.25Å; S333-D335 PolarHBondContact O-N 3.4Å; D335-Q338 VanDerWaalsContact O-CG 3.27Å; D335-Q338 WeakPolarHBondContact O-CG 3.32Å; D335-N341 PolarHBondContact O-ND2 3.47Å
336	L	91.9	Very high	93.3	Very high	22 Å²	22	40.6 Å²	40.6	12%	0.115	21%	0.207	C	C	.	.	H	α-helix	trans	-73.6	-36.8	178.4	-69.4	169.9	0	0	0	112.2	R332 S333 L334 Q338 N341 V352 L355 K356	R332-L336 PolarHBondContact O-N 3.04Å; S333-L336 WeakPolarHBondContact O-CB 3.35Å; S333-L336 PolarHBondContact O-N 2.82Å; L334-L336 VanDerWaalsContact C-N 3.31Å; L336-Q338 PolarHBondContact O-N 3.03Å; L336-N341 WeakPolarHBondContact O-CB 3.38Å; L336-N341 PolarHBondContact O-ND2 3.09Å; L336-V352 HydrophobicContact CD2-CG1 4.2Å; L336-L355 HydrophobicContact CD2-CB 4.01Å; L336-K356 HydrophobicContact CD1-CB 4.07Å
337	Y	93.3	Very high	93	Very high	20 Å²	20	47.8 Å²	47.8	8%	0.078	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	20.5	-176.4	-71.4	-70.5	0	0	0	115.4	H58 W59 S333 L342 L442	H58-Y337 PolarHBondContact CD2-O 2.87Å; W59-Y337 WeakPolarHBondContact CB-O 3.33Å; W59-Y337 AromaticContact CE3-CD1 3.51Å; W59-Y337 HydrophobicContact CE3-CD1 3.51Å; W59-Y337 AromaticContact CE3-CE1 3.98Å; W59-Y337 HydrophobicContact CE3-CE1 3.98Å; W59-Y337 HydrophobicContact CE3-CG 4.18Å; W59-Y337 AromaticContact CZ3-CD1 3.82Å; W59-Y337 HydrophobicContact CZ3-CD1 3.82Å; W59-Y337 AromaticContact CZ3-CE1 3.77Å; W59-Y337 HydrophobicContact CZ3-CE1 3.77Å; W59-Y337 PolarHBondContact N-O 3.12Å; W59-Y337 VanDerWaalsContact N-O 3.14Å; S333-Y337 WeakPolarHBondContact O-CD2 3.39Å; S333-Y337 PolarHBondContact O-N 3.12Å; Y337-L342 HydrophobicContact CD1-CD1 4.01Å; Y337-L342 HydrophobicContact CD1-CD2 3.89Å; Y337-L342 HydrophobicContact CD1-CG 4.49Å; Y337-L342 HydrophobicContact CE1-CD2 4.4Å; Y337-L442 WeakPolarHBondContact CE1-O 3.43Å; Y337-L442 PolarHBondContact OH-O 2.85Å
338	Q	95	Very high	92.8	Very high	37 Å²	37	48.9 Å²	48.9	17%	0.173	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-64.2	133.8	164.7	-60.8	-72.8	-24.6	0	0	109.9	N57 D335 L336 Q340 N341 L342	N57-Q338 CarbonylContact O-C 3.49Å; N57-Q338 PolarHBondContact O-OE1 3.19Å; D335-Q338 VanDerWaalsContact O-CG 3.27Å; D335-Q338 WeakPolarHBondContact O-CG 3.32Å; L336-Q338 PolarHBondContact O-N 3.03Å; Q338-Q340 HydrophobicContact CB-CG 4.05Å; Q338-Q340 PolarHBondContact O-N 3.15Å; Q338-Q340 VanDerWaalsContact O-N 3.14Å; Q338-N341 WeakPolarHBondContact O-CA 3.43Å; Q338-N341 WeakPolarHBondContact O-CB 3.44Å; Q338-N341 PolarHBondContact O-N 2.91Å; Q338-L342 PolarHBondContact O-N 2.88Å; Q338-L342 VanDerWaalsContact O-N 3.1Å
339	L	95.8	Very high	92.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-31.9	-179.4	-72.4	165.5	0	0	0	112.4	L15 F49 Y56 N57 W59 N341 L342 R343	L15-L339 HydrophobicContact CB-CD2 4.18Å; F49-L339 HydrophobicContact CD1-CD1 3.66Å; F49-L339 HydrophobicContact CD1-CD2 4.09Å; F49-L339 HydrophobicContact CE1-CD1 4.22Å; F49-L339 HydrophobicContact CE1-CD2 3.95Å; Y56-L339 WeakPolarHBondContact O-CD1 3.41Å; N57-L339 WeakPolarHBondContact O-CB 3.34Å; N57-L339 PolarHBondContact O-N 2.79Å; W59-L339 HydrophobicContact CB-CD2 4.41Å; L339-N341 PolarHBondContact O-N 3.16Å; L339-L342 PolarHBondContact O-N 3.11Å; L339-R343 WeakPolarHBondContact O-CB 3.17Å; L339-R343 WeakPolarHBondContact O-CD 3.44Å; L339-R343 WeakPolarHBondContact O-CG 3.36Å; L339-R343 PolarHBondContact O-N 3.36Å
340	Q	94.8	Very high	92.5	Very high	141 Å²	141	45.9 Å²	45.9	66%	0.659	24%	0.236	S	C	*	.	H	α-helix	trans	-64	-28.5	174.7	69.4	-179	9.9	0	0	113.4	Q338 K344	Q338-Q340 HydrophobicContact CB-CG 4.05Å; Q338-Q340 PolarHBondContact O-N 3.15Å; Q338-Q340 VanDerWaalsContact O-N 3.14Å; Q340-K344 WeakPolarHBondContact O-CG 3.39Å
341	N	95.2	Very high	92.5	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.144	26%	0.257	C	S	.	.	H	α-helix	trans	-81.1	-48.7	175.4	-69.2	-23.1	0	0	0	110.1	D335 L336 Q338 L339 R343 K344 V352	D335-N341 PolarHBondContact O-ND2 3.47Å; L336-N341 WeakPolarHBondContact O-CB 3.38Å; L336-N341 PolarHBondContact O-ND2 3.09Å; Q338-N341 WeakPolarHBondContact O-CA 3.43Å; Q338-N341 WeakPolarHBondContact O-CB 3.44Å; Q338-N341 PolarHBondContact O-N 2.91Å; L339-N341 PolarHBondContact O-N 3.16Å; N341-R343 PolarHBondContact O-N 3.36Å; N341-K344 WeakPolarHBondContact O-CB 3.5Å; N341-K344 WeakPolarHBondContact O-CG 3.07Å; N341-K344 PolarHBondContact O-N 3.47Å; N341-K344 VanDerWaalsContact O-N 3.13Å; N341-V352 HydrophobicContact CB-CG1 4.06Å; N341-V352 HydrophobicContact CB-CG2 4Å
342	L	94.4	Very high	92.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-66.5	-22.9	-178.2	-55.9	177	0	0	0	113.4	I11 L15 W59 Y337 Q338 L339 L442	I11-L342 VanDerWaalsContact CG1-O 3.29Å; I11-L342 WeakPolarHBondContact CG1-O 3.43Å; L15-L342 HydrophobicContact CD1-CB 3.33Å; L15-L342 HydrophobicContact CD1-CD1 3.77Å; L15-L342 HydrophobicContact CD1-CG 4.17Å; W59-L342 HydrophobicContact CB-CD1 3.89Å; W59-L342 HydrophobicContact CD2-CD1 4.31Å; W59-L342 HydrophobicContact CE3-CD1 4.32Å; W59-L342 HydrophobicContact CG-CD1 4.16Å; Y337-L342 HydrophobicContact CD1-CD1 4.01Å; Y337-L342 HydrophobicContact CD1-CD2 3.89Å; Y337-L342 HydrophobicContact CD1-CG 4.49Å; Y337-L342 HydrophobicContact CE1-CD2 4.4Å; Q338-L342 PolarHBondContact O-N 2.88Å; Q338-L342 VanDerWaalsContact O-N 3.1Å; L339-L342 PolarHBondContact O-N 3.11Å; L342-L442 HydrophobicContact CD2-CB 4.1Å; L342-L442 HydrophobicContact CD2-CD1 3.88Å
343	R	95.2	Very high	92.9	Very high	64 Å²	64	45.5 Å²	45.5	24%	0.242	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.3	176.8	-65.9	171.3	175.8	158.5	-2.7	113.9	A12 L15 L339 N341	A12-R343 HydrophobicContact CB-CB 3.93Å; A12-R343 HydrophobicContact CB-CG 4.02Å; L15-R343 PolarHBondContact O-NE 3.09Å; L15-R343 PolarHBondContact O-NH2 2.87Å; L339-R343 WeakPolarHBondContact O-CB 3.17Å; L339-R343 WeakPolarHBondContact O-CD 3.44Å; L339-R343 WeakPolarHBondContact O-CG 3.36Å; L339-R343 PolarHBondContact O-N 3.36Å; N341-R343 PolarHBondContact O-N 3.36Å
344	K	94.8	Very high	93	Very high	76 Å²	76	51.2 Å²	51.2	33%	0.33	26%	0.263	S	S	.	.			trans	-68	163.8	168.9	-66.4	-177.5	-176.2	174.4	0	110.5	Q340 N341 G348 L349 V352	Q340-K344 WeakPolarHBondContact O-CG 3.39Å; N341-K344 WeakPolarHBondContact O-CB 3.5Å; N341-K344 WeakPolarHBondContact O-CG 3.07Å; N341-K344 PolarHBondContact O-N 3.47Å; N341-K344 VanDerWaalsContact O-N 3.13Å; K344-G348 WeakPolarHBondContact CD-O 3.17Å; K344-L349 HydrophobicContact CB-CB 4.29Å; K344-V352 HydrophobicContact CD-CG2 3.9Å
345	A	92.4	Very high	93.2	Very high	60 Å²	60	56.3 Å²	56.3	50%	0.496	29%	0.29	S	S	.	.			trans	-138.3	160.7	175.7	0	0	0	0	0	110.6	C10 G348	C10-A345 HydrophobicContact CB-CB 4.18Å; A345-G348 PolarHBondContact O-N 3.36Å
346	G	91.7	Very high	93.4	Very high	25 Å²	25	52.7 Å²	52.7	26%	0.258	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	-141.7	-179.1	0	0	0	0	0	112.2	G348 L349 D350	G346-G348 PolarHBondContact O-N 3.11Å; G346-L349 PolarHBondContact O-N 3.01Å; G346-D350 PolarHBondContact O-N 3.4Å
347	E	92.3	Very high	93.4	Very high	152 Å²	152	52.2 Å²	52.2	71%	0.71	27%	0.269	S	S	*	.	H	α-helix	trans	-53.1	-31	-178.7	-63.6	-177.9	176.5	0	0	113.5	L349 D350 Q351	E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 2.94Å; E347-D350 PolarHBondContact O-N 3.06Å; E347-Q351 VanDerWaalsContact O-CG 3.25Å; E347-Q351 WeakPolarHBondContact O-CG 3.46Å; E347-Q351 PolarHBondContact O-N 3.49Å
348	G	93	Very high	93.5	Very high	22 Å²	22	54.6 Å²	54.6	23%	0.227	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-33.4	178.6	0	0	0	0	0	113.3	K344 A345 G346 V352	K344-G348 WeakPolarHBondContact CD-O 3.17Å; A345-G348 PolarHBondContact O-N 3.36Å; G346-G348 PolarHBondContact O-N 3.11Å; G348-V352 WeakPolarHBondContact O-CG2 3.44Å
349	L	92.9	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-77.2	-40.6	174.3	-176	61.8	0	0	0	110.5	L8 P9 I11 K344 G346 E347 Q351 V352 Y353 L442	L8-L349 HydrophobicContact CB-CD2 3.99Å; L8-L349 HydrophobicContact CB-CG 4.34Å; L8-L349 HydrophobicContact CD1-CG 4.39Å; P9-L349 WeakPolarHBondContact O-CD2 3.41Å; I11-L349 HydrophobicContact CD1-CD1 4.47Å; I11-L349 HydrophobicContact CG1-CD2 4.44Å; K344-L349 HydrophobicContact CB-CB 4.29Å; G346-L349 PolarHBondContact O-N 3.01Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 2.94Å; L349-Q351 VanDerWaalsContact C-N 3.29Å; L349-Q351 PolarHBondContact O-N 2.78Å; L349-V352 WeakPolarHBondContact O-CB 3.26Å; L349-V352 PolarHBondContact O-N 3.41Å; L349-Y353 PolarHBondContact O-N 3.5Å; L349-L442 HydrophobicContact CD1-CD1 3.66Å
350	D	92.7	Very high	93.7	Very high	38 Å²	38	53.8 Å²	53.8	20%	0.203	28%	0.275	C	S	.	.	H	α-helix	trans	-56.9	-44.3	175.8	-60	-24.7	0	0	0	110.9	S7 L8 G346 E347 V352 Y353 E354	S7-D350 WeakPolarHBondContact CA-OD2 3.43Å; S7-D350 VanDerWaalsContact CB-OD2 3.25Å; S7-D350 WeakPolarHBondContact CB-OD2 3.25Å; L8-D350 WeakPolarHBondContact CB-OD1 3.34Å; L8-D350 VanDerWaalsContact CG-OD1 3.27Å; L8-D350 WeakPolarHBondContact CG-OD1 3.47Å; L8-D350 PolarHBondContact N-OD1 2.92Å; G346-D350 PolarHBondContact O-N 3.4Å; E347-D350 PolarHBondContact O-N 3.06Å; D350-V352 VanDerWaalsContact C-N 3.3Å; D350-V352 PolarHBondContact O-N 3.37Å; D350-Y353 WeakPolarHBondContact O-CB 3.44Å; D350-Y353 PolarHBondContact O-N 2.95Å; D350-Y353 VanDerWaalsContact O-N 3.14Å; D350-E354 WeakPolarHBondContact O-CG 3.42Å; D350-E354 PolarHBondContact O-N 2.72Å
351	Q	93.6	Very high	93.9	Very high	119 Å²	119	47 Å²	47	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-60.2	-36.5	175	-73.8	169.7	20.1	0	0	113.3	E347 L349 L355	E347-Q351 VanDerWaalsContact O-CG 3.25Å; E347-Q351 WeakPolarHBondContact O-CG 3.46Å; E347-Q351 PolarHBondContact O-N 3.49Å; L349-Q351 VanDerWaalsContact C-N 3.29Å; L349-Q351 PolarHBondContact O-N 2.78Å; Q351-L355 WeakPolarHBondContact O-CG 3.24Å; Q351-L355 PolarHBondContact O-N 3.48Å
352	V	93.2	Very high	94.1	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-69.1	-41.4	175.9	175.7	0	0	0	0	110	L336 N341 K344 G348 L349 D350 L355 K356 L442	L336-V352 HydrophobicContact CD2-CG1 4.2Å; N341-V352 HydrophobicContact CB-CG1 4.06Å; N341-V352 HydrophobicContact CB-CG2 4Å; K344-V352 HydrophobicContact CD-CG2 3.9Å; G348-V352 WeakPolarHBondContact O-CG2 3.44Å; L349-V352 WeakPolarHBondContact O-CB 3.26Å; L349-V352 PolarHBondContact O-N 3.41Å; D350-V352 VanDerWaalsContact C-N 3.3Å; D350-V352 PolarHBondContact O-N 3.37Å; V352-L355 PolarHBondContact O-N 2.86Å; V352-K356 PolarHBondContact O-N 2.98Å; V352-L442 HydrophobicContact CB-CD1 4.2Å; V352-L442 HydrophobicContact CG1-CD1 3.58Å; V352-L442 HydrophobicContact CG1-CD2 4.33Å
353	Y	92.6	Very high	94.3	Very high	30 Å²	30	47.5 Å²	47.5	12%	0.118	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-44.3	177.8	178.1	-100	0	0	0	112.8	L8 L349 D350 L355 K356 F439 R440 L442	L8-Y353 VanDerWaalsContact CD1-CB 3.47Å; L8-Y353 HydrophobicContact CD1-CD1 4.17Å; L8-Y353 HydrophobicContact CD1-CD2 4.17Å; L8-Y353 HydrophobicContact CD1-CG 3.67Å; L349-Y353 PolarHBondContact O-N 3.5Å; D350-Y353 WeakPolarHBondContact O-CB 3.44Å; D350-Y353 PolarHBondContact O-N 2.95Å; D350-Y353 VanDerWaalsContact O-N 3.14Å; Y353-L355 PolarHBondContact O-N 3.04Å; Y353-K356 VanDerWaalsContact O-CB 3.29Å; Y353-K356 WeakPolarHBondContact O-CB 3.32Å; Y353-K356 PolarHBondContact O-N 3.45Å; Y353-F439 WeakPolarHBondContact CE2-O 3.4Å; Y353-R440 WeakPolarHBondContact CD2-O 3.49Å; Y353-R440 VanDerWaalsContact CE2-C 3.46Å; Y353-R440 WeakPolarHBondContact CE2-O 3.15Å; Y353-L442 HydrophobicContact CD2-CD2 4.23Å; Y353-L442 HydrophobicContact CD2-CG 4.42Å
354	E	92	Very high	94.5	Very high	124 Å²	124	44.5 Å²	44.5	58%	0.579	23%	0.232	S	C	*	.	H	α-helix	trans	-65.5	-19.1	178.6	-64.1	-65.7	166.4	0	0	112.9	K5 D350	K5-E354 IonicContact NZ-OE1 2.65Å; K5-E354 PolarHBondContact NZ-OE1 2.87Å; D350-E354 WeakPolarHBondContact O-CG 3.42Å; D350-E354 PolarHBondContact O-N 2.72Å
355	L	92.2	Very high	94.6	Very high	118 Å²	118	40.9 Å²	40.9	62%	0.618	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.7	173.3	-68.2	172.1	0	0	0	113.6	L336 Q351 V352 Y353 A357	L336-L355 HydrophobicContact CD2-CB 4.01Å; Q351-L355 WeakPolarHBondContact O-CG 3.24Å; Q351-L355 PolarHBondContact O-N 3.48Å; V352-L355 PolarHBondContact O-N 2.86Å; Y353-L355 PolarHBondContact O-N 3.04Å; L355-A357 PolarHBondContact O-N 2.79Å
356	K	92	Very high	94.9	Very high	24 Å²	24	38 Å²	38	10%	0.104	19%	0.193	C	C	.	.	S	Bend	trans	-72.5	125.3	-177.5	169.9	178	162.7	-102.6	0	111	L336 V352 Y353 K358 G414 F439 L442	L336-K356 HydrophobicContact CD1-CB 4.07Å; V352-K356 PolarHBondContact O-N 2.98Å; Y353-K356 VanDerWaalsContact O-CB 3.29Å; Y353-K356 WeakPolarHBondContact O-CB 3.32Å; Y353-K356 PolarHBondContact O-N 3.45Å; K356-K358 PolarHBondContact O-N 3.22Å; K356-G414 PolarHBondContact NZ-O 3.29Å; K356-F439 PolarHBondContact NZ-O 2.8Å; K356-L442 HydrophobicContact CB-CD2 4.05Å; K356-L442 HydrophobicContact CD-CD2 3.63Å; K356-L442 HydrophobicContact CG-CD2 4.39Å
357	A	93.1	Very high	95.1	Very high	12 Å²	12	37.2 Å²	37.2	10%	0.099	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-64.3	120	161.2	0	0	0	0	0	109.4	Q328 L355	Q328-A357 HydrophobicContact CB-CB 4.01Å; Q328-A357 HydrophobicContact CG-CB 4.43Å; L355-A357 PolarHBondContact O-N 2.79Å
358	K	95.2	Very high	95.2	Very high	69 Å²	69	31.3 Å²	31.3	30%	0.3	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-70.4	142.9	173.1	-62.6	-179.9	-174.5	-178.4	0	108.9	K356 F360 E411	K356-K358 PolarHBondContact O-N 3.22Å; K358-F360 HydrophobicContact CB-CD2 4.29Å; K358-F360 HydrophobicContact CB-CE2 3.54Å; K358-F360 HydrophobicContact CB-CZ 3.68Å; K358-F360 HydrophobicContact CD-CE2 4.32Å; K358-F360 HydrophobicContact CD-CZ 3.8Å; K358-F360 HydrophobicContact CG-CZ 4.41Å; K358-E411 PolarHBondContact NZ-O 3.12Å
359	S	97.2	Very high	94.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131	176.2	-162	0	0	0	0	109	C326 C327 G415 I416 E417	C326-S359 WeakPolarHBondContact CB-OG 3.41Å; C327-S359 CarbonylContact O-C 3.57Å; C327-S359 VanDerWaalsContact O-CA 3.32Å; C327-S359 WeakPolarHBondContact O-CA 3.26Å; S359-G415 CarbonylContact O-C 3.36Å; S359-G415 WeakPolarHBondContact O-CA 3.35Å; S359-I416 WeakPolarHBondContact CB-O 3.35Å; S359-I416 PolarHBondContact O-N 3.04Å; S359-E417 WeakPolarHBondContact CB-OE1 3.5Å; S359-E417 PolarHBondContact OG-OE1 2.78Å
360	F	98	Very high	94.4	Very high	19 Å²	19	39.7 Å²	39.7	8%	0.083	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.3	-177	-68.7	-66.7	0	0	0	111.3	C327 K358 R362 H406 L410 E411	C327-F360 PolarHBondContact N-O 2.88Å; C327-F360 PolarHBondContact O-N 2.96Å; K358-F360 HydrophobicContact CB-CD2 4.29Å; K358-F360 HydrophobicContact CB-CE2 3.54Å; K358-F360 HydrophobicContact CB-CZ 3.68Å; K358-F360 HydrophobicContact CD-CE2 4.32Å; K358-F360 HydrophobicContact CD-CZ 3.8Å; K358-F360 HydrophobicContact CG-CZ 4.41Å; F360-R362 PolarHBondContact O-N 3.17Å; F360-H406 AromaticContact CD1-CE1 3.53Å; F360-H406 AromaticContact CD1-NE2 3.54Å; F360-H406 AromaticContact CE1-CE1 3.96Å; F360-H406 AromaticContact CG-NE2 3.66Å; F360-L410 HydrophobicContact CD1-CD2 4.01Å; F360-L410 HydrophobicContact CD1-CG 4.3Å; F360-L410 HydrophobicContact CE1-CG 4.4Å; F360-E411 HydrophobicContact CE1-CG 4.07Å; F360-E411 HydrophobicContact CZ-CB 4.48Å; F360-E411 HydrophobicContact CZ-CG 3.87Å
361	P	98.6	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118.6	-179.5	32.7	-33.2	0	0	0	109.6	I312 L325 L405 H406 L410 I416 F434	I312-P361 HydrophobicContact CD1-CB 3.71Å; L325-P361 CarbonylContact O-C 3.58Å; L325-P361 WeakPolarHBondContact O-CA 3.46Å; P361-L405 HydrophobicContact CB-CB 4.11Å; P361-L405 HydrophobicContact CG-CB 4.17Å; P361-L405 PolarHBondContact O-N 3.47Å; P361-H406 HydrophobicContact CG-CB 4.17Å; P361-L410 HydrophobicContact CG-CD2 3.85Å; P361-I416 HydrophobicContact CB-CG2 4.36Å; P361-I416 HydrophobicContact CG-CG2 4.1Å; P361-F434 HydrophobicContact CB-CE1 4.09Å; P361-F434 HydrophobicContact CB-CZ 3.63Å; P361-F434 HydrophobicContact CG-CZ 4.01Å
362	R	98.6	Very high	92.8	Very high	28 Å²	28	41.6 Å²	41.6	11%	0.106	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.4	-177.4	-67.1	-173.8	-173.4	161	0.3	111	D324 L325 C327 D329 F360 F364 P402 E403	D324-R362 WeakPolarHBondContact CA-O 3.49Å; L325-R362 PolarHBondContact N-O 3.45Å; L325-R362 PolarHBondContact O-N 2.85Å; C327-R362 HydrophobicContact CB-CB 4.36Å; C327-R362 HydrophobicContact CB-CG 4.1Å; D329-R362 VanDerWaalsContact CG-NH2 3.26Å; D329-R362 IonicContact OD1-CZ 2.72Å; D329-R362 IonicContact OD1-NH1 3.53Å; D329-R362 PolarHBondContact OD1-NH1 2.65Å; D329-R362 IonicContact OD1-NH2 2.76Å; D329-R362 PolarHBondContact OD1-NH2 2.9Å; D329-R362 IonicContact OD2-NH2 3.25Å; D329-R362 PolarHBondContact OD2-NH2 2.89Å; F360-R362 PolarHBondContact O-N 3.17Å; R362-F364 HydrophobicContact CB-CE2 4.04Å; R362-P402 HydrophobicContact CB-CB 3.93Å; R362-P402 HydrophobicContact CG-CB 4.39Å; R362-E403 CarbonylContact C-O 3.57Å; R362-E403 WeakPolarHBondContact CA-O 3.49Å
363	R	98.8	Very high	92.2	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.038	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.5	175.6	172.7	164.6	-71	168.8	1.2	110.7	V322 I323 D324 V365 A388 P402 E403 L405	V322-R363 HydrophobicContact CG1-CG 3.68Å; I323-R363 WeakPolarHBondContact O-CA 3.3Å; D324-R363 WeakPolarHBondContact OD1-CA 3.4Å; D324-R363 WeakPolarHBondContact OD1-CB 3.43Å; D324-R363 VanDerWaalsContact OD1-CG 3.25Å; D324-R363 WeakPolarHBondContact OD1-CG 3.32Å; D324-R363 IonicContact OD1-CZ 2.72Å; D324-R363 IonicContact OD1-NE 2.67Å; D324-R363 PolarHBondContact OD1-NE 3.49Å; D324-R363 IonicContact OD1-NH2 3.29Å; D324-R363 IonicContact OD2-CZ 2.6Å; D324-R363 IonicContact OD2-NE 3.72Å; D324-R363 PolarHBondContact OD2-NE 3.06Å; D324-R363 IonicContact OD2-NH2 2.78Å; D324-R363 PolarHBondContact OD2-NH2 2.76Å; R363-V365 HydrophobicContact CG-CG2 4.49Å; R363-A388 WeakPolarHBondContact O-CB 2.91Å; R363-P402 CarbonylContact O-C 3.58Å; R363-P402 WeakPolarHBondContact O-CA 3.3Å; R363-E403 HydrophobicContact CB-CB 4.28Å; R363-E403 PolarHBondContact N-O 3.37Å; R363-E403 PolarHBondContact O-N 3.13Å; R363-L405 HydrophobicContact CB-CD1 4.07Å; R363-L405 HydrophobicContact CB-CD2 3.77Å; R363-L405 HydrophobicContact CB-CG 3.96Å
364	F	98.8	Very high	91.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149.3	168.6	-61.6	-97.7	0	0	0	110	F286 S303 F306 V322 I323 L325 R362 C400 P402	F286-F364 HydrophobicContact CE1-CD2 4.45Å; F286-F364 HydrophobicContact CE1-CG 4.35Å; F286-F364 HydrophobicContact CE2-CD1 4.15Å; F286-F364 HydrophobicContact CE2-CE1 4.42Å; F286-F364 HydrophobicContact CZ-CB 4.31Å; F286-F364 AromaticContact CZ-CD1 3.73Å; F286-F364 HydrophobicContact CZ-CD1 3.73Å; F286-F364 HydrophobicContact CZ-CD2 4.1Å; F286-F364 AromaticContact CZ-CE1 3.97Å; F286-F364 HydrophobicContact CZ-CE1 3.97Å; F286-F364 HydrophobicContact CZ-CE2 4.33Å; F286-F364 AromaticContact CZ-CG 3.79Å; F286-F364 HydrophobicContact CZ-CG 3.79Å; F286-F364 HydrophobicContact CZ-CZ 4.26Å; S303-F364 WeakPolarHBondContact OG-CE1 3.23Å; F306-F364 AromaticContact CD1-CZ 3.98Å; F306-F364 HydrophobicContact CD1-CZ 3.98Å; F306-F364 AromaticContact CE1-CE1 3.97Å; F306-F364 HydrophobicContact CE1-CE1 3.97Å; F306-F364 HydrophobicContact CE1-CE2 4.02Å; F306-F364 AromaticContact CE1-CZ 3.39Å; F306-F364 HydrophobicContact CE1-CZ 3.39Å; F306-F364 AromaticContact CZ-CE2 3.95Å; F306-F364 HydrophobicContact CZ-CE2 3.95Å; F306-F364 AromaticContact CZ-CZ 3.82Å; F306-F364 HydrophobicContact CZ-CZ 3.82Å; V322-F364 WeakPolarHBondContact CA-O 3.39Å; I323-F364 HydrophobicContact CG2-CB 3.78Å; I323-F364 PolarHBondContact N-O 3.26Å; I323-F364 PolarHBondContact O-N 2.79Å; L325-F364 HydrophobicContact CD1-CD2 4.13Å; L325-F364 HydrophobicContact CD1-CE2 4.1Å; R362-F364 HydrophobicContact CB-CE2 4.04Å; F364-C400 HydrophobicContact CD1-CB 4.2Å; F364-P402 HydrophobicContact CD1-CB 4.01Å; F364-P402 HydrophobicContact CD2-CB 4.3Å; F364-P402 HydrophobicContact CE1-CB 3.64Å; F364-P402 HydrophobicContact CE1-CG 3.82Å; F364-P402 HydrophobicContact CE2-CB 3.95Å; F364-P402 HydrophobicContact CG-CB 4.34Å; F364-P402 HydrophobicContact CZ-CB 3.61Å; F364-P402 HydrophobicContact CZ-CG 3.82Å
365	V	98.5	Very high	91.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.2	178.4	178.3	0	0	0	0	108.9	C320 I321 V322 R363 L383 A388	C320-V365 HydrophobicContact CB-CG1 3.68Å; I321-V365 CarbonylContact O-C 3.59Å; I321-V365 WeakPolarHBondContact O-CA 3.22Å; V322-V365 HydrophobicContact CG2-CG2 4.43Å; R363-V365 HydrophobicContact CG-CG2 4.49Å; V365-L383 HydrophobicContact CB-CD1 4.45Å; V365-L383 HydrophobicContact CG1-CD1 3.68Å; V365-L383 HydrophobicContact CG1-CG 4.43Å; V365-L383 HydrophobicContact CG2-CD1 3.83Å; V365-A388 HydrophobicContact CB-CB 4.32Å; V365-A388 HydrophobicContact CG2-CB 3.73Å
366	L	98.1	Very high	91.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	104.5	-177.3	-44.9	-178.9	0	0	0	109.3	I249 F286 V288 Y301 C320 I321 L368 C400	I249-L366 HydrophobicContact CG2-CD1 4.08Å; F286-L366 HydrophobicContact CB-CD1 3.86Å; F286-L366 HydrophobicContact CB-CD2 4.39Å; F286-L366 HydrophobicContact CD1-CD1 4.36Å; F286-L366 HydrophobicContact CD2-CD2 4.2Å; F286-L366 HydrophobicContact CG-CD1 4.2Å; F286-L366 HydrophobicContact CG-CD2 4.17Å; V288-L366 HydrophobicContact CG2-CD1 3.91Å; Y301-L366 HydrophobicContact CD1-CB 4.05Å; Y301-L366 HydrophobicContact CD1-CD2 4.1Å; Y301-L366 HydrophobicContact CD2-CD1 4.46Å; Y301-L366 HydrophobicContact CE1-CB 3.94Å; Y301-L366 HydrophobicContact CE2-CB 4.44Å; Y301-L366 HydrophobicContact CG-CB 4.36Å; Y301-L366 HydrophobicContact CG-CD2 4.04Å; C320-L366 CarbonylContact C-O 3.58Å; C320-L366 WeakPolarHBondContact CA-O 3.21Å; I321-L366 HydrophobicContact CB-CB 4.25Å; I321-L366 PolarHBondContact N-O 2.88Å; I321-L366 PolarHBondContact O-N 3.15Å; L366-L368 PolarHBondContact O-N 3.42Å; L366-C400 HydrophobicContact CD2-CB 4.41Å; L366-C400 VanDerWaalsContact CD2-SG 3.6Å
367	P	96.4	Very high	91.2	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.8	179.9	28	-35.1	0	0	0	111.1	Y301 V370 L380 A390 I398	Y301-P367 HydrophobicContact CE1-CG 4.27Å; Y301-P367 WeakPolarHBondContact CE1-O 3.24Å; Y301-P367 PolarHBondContact OH-O 3.03Å; P367-V370 HydrophobicContact CB-CG2 3.95Å; P367-V370 HydrophobicContact CG-CG2 3.72Å; P367-V370 WeakPolarHBondContact O-CG2 3.37Å; P367-L380 HydrophobicContact CB-CB 4.2Å; P367-L380 HydrophobicContact CG-CB 3.88Å; P367-L380 HydrophobicContact CG-CD1 4.16Å; P367-A390 VanDerWaalsContact CD-CB 3.5Å; P367-A390 HydrophobicContact CG-CB 3.86Å; P367-I398 HydrophobicContact CG-CG2 4.35Å
368	L	94.3	Very high	91.2	Very high	29 Å²	29	52.4 Å²	52.4	15%	0.152	30%	0.297	C	S	.	.	S	Bend	trans	-75.9	-40.8	-174.1	-69.9	166	0	0	0	113.2	Y247 V288 L297 G319 I321 L366 V370	Y247-L368 HydrophobicContact CD2-CD1 4.23Å; Y247-L368 HydrophobicContact CD2-CD2 4.35Å; Y247-L368 HydrophobicContact CE1-CD2 4.22Å; Y247-L368 HydrophobicContact CE2-CD1 3.43Å; Y247-L368 VanDerWaalsContact CE2-CD1 3.43Å; Y247-L368 HydrophobicContact CE2-CD2 4Å; Y247-L368 HydrophobicContact CE2-CG 4.38Å; V288-L368 HydrophobicContact CG1-CD2 4.26Å; L297-L368 HydrophobicContact CD1-CD2 3.91Å; G319-L368 WeakPolarHBondContact O-CB 3.42Å; G319-L368 PolarHBondContact O-N 3.11Å; I321-L368 HydrophobicContact CD1-CD2 3.68Å; I321-L368 HydrophobicContact CD1-CG 4.48Å; I321-L368 HydrophobicContact CG1-CD1 4.22Å; I321-L368 HydrophobicContact CG1-CD2 3.93Å; I321-L368 HydrophobicContact CG1-CG 4.19Å; L366-L368 PolarHBondContact O-N 3.42Å; L368-V370 PolarHBondContact O-N 3.37Å
369	D	85.8	Confident	91.2	Very high	152 Å²	152	53 Å²	53	81%	0.813	30%	0.304	S	S	*	.			trans	-102	70.5	-174.3	-66.3	-42.1	0	0	0	111.6	S371	D369-S371 PolarHBondContact O-N 2.91Å
370	V	82.4	Confident	91	Very high	46 Å²	46	55 Å²	55	28%	0.279	31%	0.314	S	S	.	.			trans	-89.7	105.8	175.8	-174.7	0	0	0	0	110.2	P367 L368 A374 L380 K392 I398	P367-V370 HydrophobicContact CB-CG2 3.95Å; P367-V370 HydrophobicContact CG-CG2 3.72Å; P367-V370 WeakPolarHBondContact O-CG2 3.37Å; L368-V370 PolarHBondContact O-N 3.37Å; V370-A374 HydrophobicContact CG1-CB 3.95Å; V370-L380 HydrophobicContact CG1-CD1 3.82Å; V370-L380 HydrophobicContact CG2-CD1 3.88Å; V370-K392 HydrophobicContact CG1-CD 4.39Å; V370-I398 HydrophobicContact CB-CD1 4.1Å; V370-I398 HydrophobicContact CG1-CD1 4.16Å; V370-I398 HydrophobicContact CG2-CD1 3.66Å
371	S	76.9	Confident	90.9	Very high	66 Å²	66	54.8 Å²	54.8	46%	0.462	32%	0.315	S	S	.	.			trans	-59.6	144.7	172.9	178.2	0	0	0	0	111.3	D369 D373 A374	D369-S371 PolarHBondContact O-N 2.91Å; S371-D373 PolarHBondContact O-N 3.07Å; S371-D373 PolarHBondContact OG-N 2.97Å; S371-D373 VanDerWaalsContact OG-N 3.09Å; S371-A374 WeakPolarHBondContact O-CB 3.41Å; S371-A374 PolarHBondContact O-N 2.97Å
372	V	75.7	Confident	90.7	Very high	130 Å²	130	58 Å²	58	79%	0.788	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.9	169	178.8	0	0	0	0	110.8	A374 K392	V372-A374 VanDerWaalsContact C-N 3.33Å; V372-K392 PolarHBondContact O-NZ 2.9Å
373	D	80.6	Confident	90.6	Very high	148 Å²	148	57 Å²	57	79%	0.791	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	5.7	178.1	-55.4	-43	0	0	0	113.5	S371 A375	S371-D373 PolarHBondContact O-N 3.07Å; S371-D373 PolarHBondContact OG-N 2.97Å; S371-D373 VanDerWaalsContact OG-N 3.09Å; D373-A375 PolarHBondContact O-N 2.76Å
374	A	82.9	Confident	90.5	Very high	20 Å²	20	62.3 Å²	62.3	17%	0.165	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-57.6	131.1	175.6	0	0	0	0	0	110	V370 S371 V372 E376 L380 K392	V370-A374 HydrophobicContact CG1-CB 3.95Å; S371-A374 WeakPolarHBondContact O-CB 3.41Å; S371-A374 PolarHBondContact O-N 2.97Å; V372-A374 VanDerWaalsContact C-N 3.33Å; A374-E376 PolarHBondContact O-N 3.45Å; A374-L380 HydrophobicContact CB-CD2 4.15Å; A374-K392 HydrophobicContact CB-CD 4.14Å; A374-K392 PolarHBondContact O-NZ 3.18Å
375	A	83.3	Confident	90.4	Very high	50 Å²	50	65.7 Å²	65.7	41%	0.413	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-63	130.8	-176.2	0	0	0	0	0	111.4	D373 K378	D373-A375 PolarHBondContact O-N 2.76Å; A375-K378 HydrophobicContact CB-CD 4.04Å; A375-K378 HydrophobicContact CB-CG 4.35Å
376	E	91.4	Very high	90.3	Very high	127 Å²	127	66.4 Å²	66.4	59%	0.593	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	148.5	173.2	-64.7	173.6	-163.8	0	0	111.2	A374 K378 K392	A374-E376 PolarHBondContact O-N 3.45Å; E376-K378 PolarHBondContact O-N 3.16Å; E376-K378 VanDerWaalsContact O-N 3.13Å; E376-K392 WeakPolarHBondContact CA-O 3.39Å
377	G	91.5	Very high	90.3	Very high	56 Å²	56	70.5 Å²	70.5	58%	0.577	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-1.9	173.8	0	0	0	0	0	115.8	K392	G377-K392 PolarHBondContact N-O 3.22Å
378	K	91.9	Very high	90.4	Very high	139 Å²	139	70.1 Å²	70.1	60%	0.604	42%	0.416	S	S	*	.	S	Bend	trans	-96.6	144.8	174.5	-65.9	-168.5	-178.7	179.9	0	111.4	A375 E376 L380	A375-K378 HydrophobicContact CB-CD 4.04Å; A375-K378 HydrophobicContact CB-CG 4.35Å; E376-K378 PolarHBondContact O-N 3.16Å; E376-K378 VanDerWaalsContact O-N 3.13Å; K378-L380 PolarHBondContact O-N 2.81Å
379	N	94.9	Very high	90.6	Very high	82 Å²	82	70.1 Å²	70.1	44%	0.439	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-67.5	124.4	170.1	-173.2	12.5	0	0	0	109.5	S381 S389 A390	N379-S381 WeakPolarHBondContact OD1-CB 3.41Å; N379-S381 PolarHBondContact OD1-N 2.82Å; N379-S389 WeakPolarHBondContact OD1-CA 3.4Å; N379-A390 PolarHBondContact OD1-N 3.18Å; N379-A390 PolarHBondContact OD1-O 2.76Å
380	L	94.5	Very high	91.1	Very high	44 Å²	44	62.9 Å²	62.9	23%	0.23	38%	0.379	C	S	.	.			trans	-88.4	-12.9	179.4	-59.8	178.3	0	0	0	112.7	P367 V370 A374 K378 P382 A390 K392 I398	P367-L380 HydrophobicContact CB-CB 4.2Å; P367-L380 HydrophobicContact CG-CB 3.88Å; P367-L380 HydrophobicContact CG-CD1 4.16Å; V370-L380 HydrophobicContact CG1-CD1 3.82Å; V370-L380 HydrophobicContact CG2-CD1 3.88Å; A374-L380 HydrophobicContact CB-CD2 4.15Å; K378-L380 PolarHBondContact O-N 2.81Å; L380-P382 WeakPolarHBondContact O-CD 3.31Å; L380-A390 WeakPolarHBondContact CB-O 3.39Å; L380-A390 WeakPolarHBondContact CG-O 3.12Å; L380-A390 PolarHBondContact N-O 3.05Å; L380-K392 HydrophobicContact CD1-CB 4.07Å; L380-I398 HydrophobicContact CD1-CG2 4.4Å
381	S	94.5	Very high	91.8	Very high	16 Å²	16	62 Å²	62	11%	0.112	37%	0.374	C	S	.	.			trans	-72.1	123.1	176.6	177.4	0	0	0	0	110.9	N379 L383	N379-S381 WeakPolarHBondContact OD1-CB 3.41Å; N379-S381 PolarHBondContact OD1-N 2.82Å; S381-L383 VanDerWaalsContact C-N 3.32Å; S381-L383 PolarHBondContact OG-N 2.84Å
382	P	94.9	Very high	92.6	Very high	66 Å²	66	59.9 Å²	59.9	43%	0.429	36%	0.356	S	S	.	.			trans	-85.9	-2.3	173.4	35.9	-33.6	0	0	0	113	Q318 C320 L380 S384	Q318-P382 HydrophobicContact CB-CG 4.05Å; Q318-P382 WeakPolarHBondContact O-CG 3.22Å; C320-P382 WeakPolarHBondContact SG-CD 3.48Å; L380-P382 WeakPolarHBondContact O-CD 3.31Å; P382-S384 PolarHBondContact O-N 3.31Å
383	L	96.7	Very high	93.4	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.037	34%	0.336	C	S	.	.			trans	-77.1	106.3	-168.4	-56.4	179.2	0	0	0	111.5	D317 Q318 C320 V322 V365 S381 Y385 S386	D317-L383 HydrophobicContact CB-CD2 4.16Å; Q318-L383 HydrophobicContact CB-CD2 3.84Å; Q318-L383 HydrophobicContact CG-CD2 4.36Å; C320-L383 HydrophobicContact CB-CD1 4.34Å; V322-L383 HydrophobicContact CG2-CD1 3.57Å; V365-L383 HydrophobicContact CB-CD1 4.45Å; V365-L383 HydrophobicContact CG1-CD1 3.68Å; V365-L383 HydrophobicContact CG1-CG 4.43Å; V365-L383 HydrophobicContact CG2-CD1 3.83Å; S381-L383 VanDerWaalsContact C-N 3.32Å; S381-L383 PolarHBondContact OG-N 2.84Å; L383-Y385 VanDerWaalsContact C-N 3.27Å; L383-Y385 HydrophobicContact CB-CD1 4.44Å; L383-Y385 HydrophobicContact CB-CE1 4.05Å; L383-Y385 HydrophobicContact CD2-CE1 3.93Å; L383-Y385 HydrophobicContact CG-CE1 4.38Å; L383-Y385 PolarHBondContact O-N 3.03Å; L383-S386 PolarHBondContact O-N 2.87Å
384	S	96.4	Very high	93.7	Very high	122 Å²	122	53.1 Å²	53.1	85%	0.853	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17	-177.7	59.2	0	0	0	0	115.1	P382	P382-S384 PolarHBondContact O-N 3.31Å
385	Y	96.5	Very high	93.9	Very high	72 Å²	72	56.9 Å²	56.9	28%	0.282	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.7	-178.5	64.3	-98.3	0	0	0	113.6	D317 L383	D317-Y385 WeakPolarHBondContact OD2-CE1 3.49Å; D317-Y385 PolarHBondContact OD2-OH 3Å; L383-Y385 VanDerWaalsContact C-N 3.27Å; L383-Y385 HydrophobicContact CB-CD1 4.44Å; L383-Y385 HydrophobicContact CB-CE1 4.05Å; L383-Y385 HydrophobicContact CD2-CE1 3.93Å; L383-Y385 HydrophobicContact CG-CE1 4.38Å; L383-Y385 PolarHBondContact O-N 3.03Å
386	S	97.5	Very high	94.2	Very high	15 Å²	15	55.7 Å²	55.7	11%	0.105	34%	0.337	C	S	.	.			trans	-124.4	137.2	-176.4	-176.7	0	0	0	0	110.4	L383 A388 E403	L383-S386 PolarHBondContact O-N 2.87Å; S386-A388 VanDerWaalsContact C-N 3.3Å; S386-A388 WeakPolarHBondContact OG-CB 3.4Å; S386-A388 PolarHBondContact OG-N 2.74Å; S386-E403 WeakPolarHBondContact CA-OE2 3.39Å; S386-E403 VanDerWaalsContact CB-OE2 3.22Å; S386-E403 WeakPolarHBondContact CB-OE2 3.29Å; S386-E403 PolarHBondContact OG-OE2 3.47Å
387	S	97.6	Very high	94.3	Very high	86 Å²	86	51.5 Å²	51.5	60%	0.601	32%	0.317	S	S	*	.			trans	-85.4	-1.7	171.8	68.1	0	0	0	0	113.4	E403	S387-E403 PolarHBondContact N-OE1 2.85Å; S387-E403 PolarHBondContact N-OE2 2.76Å; S387-E403 WeakPolarHBondContact OG-CB 3.46Å; S387-E403 VanDerWaalsContact OG-CG 3.32Å; S387-E403 WeakPolarHBondContact OG-CG 3.31Å
388	A	98.4	Very high	94.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.291	C	S	.	.			trans	-65	141.3	176.8	0	0	0	0	0	110.1	R363 V365 S386 S401 E403	R363-A388 WeakPolarHBondContact O-CB 2.91Å; V365-A388 HydrophobicContact CB-CB 4.32Å; V365-A388 HydrophobicContact CG2-CB 3.73Å; S386-A388 VanDerWaalsContact C-N 3.3Å; S386-A388 WeakPolarHBondContact OG-CB 3.4Å; S386-A388 PolarHBondContact OG-N 2.74Å; A388-S401 WeakPolarHBondContact CA-O 3.32Å; A388-E403 HydrophobicContact CB-CB 3.98Å
389	S	97.7	Very high	94.8	Very high	29 Å²	29	45.3 Å²	45.3	20%	0.203	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.8	-175.6	68.2	0	0	0	0	111.6	N379 C400 S401	N379-S389 WeakPolarHBondContact OD1-CA 3.4Å; S389-C400 CarbonylContact O-C 3.6Å; S389-C400 VanDerWaalsContact O-CA 3.26Å; S389-C400 WeakPolarHBondContact O-CA 3.43Å; S389-S401 PolarHBondContact N-O 2.93Å; S389-S401 PolarHBondContact O-N 2.85Å
390	A	97.4	Very high	94.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	111.1	171.4	0	0	0	0	0	108.5	P367 N379 L380 I398 W399	P367-A390 VanDerWaalsContact CD-CB 3.5Å; P367-A390 HydrophobicContact CG-CB 3.86Å; N379-A390 PolarHBondContact OD1-N 3.18Å; N379-A390 PolarHBondContact OD1-O 2.76Å; L380-A390 WeakPolarHBondContact CB-O 3.39Å; L380-A390 WeakPolarHBondContact CG-O 3.12Å; L380-A390 PolarHBondContact N-O 3.05Å; A390-I398 HydrophobicContact CB-CG2 3.81Å; A390-W399 WeakPolarHBondContact CA-O 3.38Å
391	V	96.3	Very high	95.1	Very high	27 Å²	27	42.4 Å²	42.4	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.3	-173.3	-179	0	0	0	0	109.7	W399	V391-W399 PolarHBondContact N-O 3.33Å; V391-W399 PolarHBondContact O-N 3.2Å
392	K	94.2	Very high	95.3	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.096	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.8	172.4	-178.4	180	170	-163.5	0	110.2	V370 V372 A374 E376 G377 L380 E397	V370-K392 HydrophobicContact CG1-CD 4.39Å; V372-K392 PolarHBondContact O-NZ 2.9Å; A374-K392 HydrophobicContact CB-CD 4.14Å; A374-K392 PolarHBondContact O-NZ 3.18Å; E376-K392 WeakPolarHBondContact CA-O 3.39Å; G377-K392 PolarHBondContact N-O 3.22Å; L380-K392 HydrophobicContact CD1-CB 4.07Å; K392-E397 CarbonylContact C-O 3.57Å; K392-E397 WeakPolarHBondContact CA-O 3.37Å
393	Q	91.6	Very high	95.4	Very high	78 Å²	78	41.1 Å²	41.1	36%	0.364	25%	0.253	S	S	.	.			trans	-96.4	170.9	175.2	-60.6	-62.4	-23.8	0	0	111	D395 G396 E397 W399	Q393-D395 WeakPolarHBondContact CB-OD1 3.32Å; Q393-D395 PolarHBondContact O-N 3.12Å; Q393-G396 WeakPolarHBondContact O-CA 3.12Å; Q393-G396 PolarHBondContact O-N 3.31Å; Q393-E397 PolarHBondContact N-O 3.36Å; Q393-W399 HydrophobicContact CG-CB 4.42Å; Q393-W399 HydrophobicContact CG-CG 3.99Å
394	G	87.5	Confident	95.5	Very high	58 Å²	58	44.3 Å²	44.3	60%	0.598	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.2	-175.9	0	0	0	0	0	115.4	G396	G394-G396 VanDerWaalsContact C-N 3.3Å
395	D	88.2	Confident	95.6	Very high	99 Å²	99	38.5 Å²	38.5	53%	0.529	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.5	170	54.8	13.6	0	0	0	113.1	Q393 E397	Q393-D395 WeakPolarHBondContact CB-OD1 3.32Å; Q393-D395 PolarHBondContact O-N 3.12Å; D395-E397 VanDerWaalsContact C-N 3.31Å; D395-E397 HydrophobicContact CB-CG 4.49Å; D395-E397 VanDerWaalsContact OD1-CB 3.27Å; D395-E397 WeakPolarHBondContact OD1-CB 3.05Å; D395-E397 WeakPolarHBondContact OD1-CG 3.48Å; D395-E397 PolarHBondContact OD1-N 3.1Å
396	G	88.4	Confident	95.6	Very high	25 Å²	25	36 Å²	36	26%	0.258	22%	0.221	S	C	.	.	S	Bend	trans	84.5	-1.9	-175.9	0	0	0	0	0	114.4	Q393 G394	Q393-G396 WeakPolarHBondContact O-CA 3.12Å; Q393-G396 PolarHBondContact O-N 3.31Å; G394-G396 VanDerWaalsContact C-N 3.3Å
397	E	93.2	Very high	95.4	Very high	38 Å²	38	40 Å²	40	18%	0.178	24%	0.237	C	C	.	.			trans	-73.3	143.9	175.7	-60.6	-166.7	153.3	0	0	111.1	M300 Y302 K392 Q393 D395	M300-E397 HydrophobicContact CE-CG 4.33Å; Y302-E397 HydrophobicContact CD2-CB 3.75Å; Y302-E397 HydrophobicContact CD2-CG 3.95Å; Y302-E397 HydrophobicContact CE2-CB 3.86Å; Y302-E397 HydrophobicContact CE2-CG 3.52Å; Y302-E397 WeakPolarHBondContact CE2-OE1 3.32Å; Y302-E397 PolarHBondContact OH-OE1 2.72Å; K392-E397 CarbonylContact C-O 3.57Å; K392-E397 WeakPolarHBondContact CA-O 3.37Å; Q393-E397 PolarHBondContact N-O 3.36Å; D395-E397 VanDerWaalsContact C-N 3.31Å; D395-E397 HydrophobicContact CB-CG 4.49Å; D395-E397 VanDerWaalsContact OD1-CB 3.27Å; D395-E397 WeakPolarHBondContact OD1-CB 3.05Å; D395-E397 WeakPolarHBondContact OD1-CG 3.48Å; D395-E397 PolarHBondContact OD1-N 3.1Å
398	I	96.2	Very high	95.2	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.3	179.9	-58.1	158.2	0	0	0	108.2	M300 Y301 Y302 P367 V370 L380 A390 C400	M300-I398 PolarHBondContact O-N 3.09Å; Y301-I398 CarbonylContact C-O 3.54Å; Y301-I398 WeakPolarHBondContact CA-O 3.44Å; Y301-I398 HydrophobicContact CD1-CB 4Å; Y301-I398 HydrophobicContact CD1-CD1 3.95Å; Y301-I398 HydrophobicContact CD1-CG2 3.96Å; Y301-I398 HydrophobicContact CE1-CD1 3.7Å; Y301-I398 HydrophobicContact CE1-CG2 4.42Å; Y302-I398 PolarHBondContact N-O 3.37Å; P367-I398 HydrophobicContact CG-CG2 4.35Å; V370-I398 HydrophobicContact CB-CD1 4.1Å; V370-I398 HydrophobicContact CG1-CD1 4.16Å; V370-I398 HydrophobicContact CG2-CD1 3.66Å; L380-I398 HydrophobicContact CD1-CG2 4.4Å; A390-I398 HydrophobicContact CB-CG2 3.81Å; I398-C400 PolarHBondContact O-N 2.68Å
399	W	97.4	Very high	94.9	Very high	60 Å²	60	46.4 Å²	46.4	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	113	-179.7	-78.1	78.1	0	0	0	111	N283 Y302 M304 A390 V391 Q393	N283-W399 HydrophobicContact CB-CH2 4.35Å; N283-W399 VanDerWaalsContact CG-CH2 3.46Å; N283-W399 WeakPolarHBondContact ND2-CH2 3.29Å; Y302-W399 CarbonylContact O-C 3.58Å; Y302-W399 WeakPolarHBondContact O-CA 3.44Å; M304-W399 HydrophobicContact SD-CZ3 4.22Å; A390-W399 WeakPolarHBondContact CA-O 3.38Å; V391-W399 PolarHBondContact N-O 3.33Å; V391-W399 PolarHBondContact O-N 3.2Å; Q393-W399 HydrophobicContact CG-CB 4.42Å; Q393-W399 HydrophobicContact CG-CG 3.99Å
400	C	98.2	Very high	94.8	Very high	2 Å²	2	45 Å²	45	1%	0.014	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.7	-178.5	-56.1	0	0	0	0	109.3	Y302 S303 F364 L366 S389 I398	Y302-C400 WeakPolarHBondContact O-CB 3.38Å; Y302-C400 PolarHBondContact O-N 3.24Å; S303-C400 WeakPolarHBondContact CB-O 3.39Å; F364-C400 HydrophobicContact CD1-CB 4.2Å; L366-C400 HydrophobicContact CD2-CB 4.41Å; L366-C400 VanDerWaalsContact CD2-SG 3.6Å; S389-C400 CarbonylContact O-C 3.6Å; S389-C400 VanDerWaalsContact O-CA 3.26Å; S389-C400 WeakPolarHBondContact O-CA 3.43Å; I398-C400 PolarHBondContact O-N 2.68Å
401	S	98.3	Very high	94.6	Very high	63 Å²	63	49.8 Å²	49.8	44%	0.441	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.9	171.6	-60.1	0	0	0	0	109.3	A388 S389	A388-S401 WeakPolarHBondContact CA-O 3.32Å; S389-S401 PolarHBondContact N-O 2.93Å; S389-S401 PolarHBondContact O-N 2.85Å
402	P	98.5	Very high	94.4	Very high	47 Å²	47	55.7 Å²	55.7	31%	0.305	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-77	157.9	-173.9	28.6	-31.9	0	0	0	113.3	R362 R363 F364	R362-P402 HydrophobicContact CB-CB 3.93Å; R362-P402 HydrophobicContact CG-CB 4.39Å; R363-P402 CarbonylContact O-C 3.58Å; R363-P402 WeakPolarHBondContact O-CA 3.3Å; F364-P402 HydrophobicContact CD1-CB 4.01Å; F364-P402 HydrophobicContact CD2-CB 4.3Å; F364-P402 HydrophobicContact CE1-CB 3.64Å; F364-P402 HydrophobicContact CE1-CG 3.82Å; F364-P402 HydrophobicContact CE2-CB 3.95Å; F364-P402 HydrophobicContact CG-CB 4.34Å; F364-P402 HydrophobicContact CZ-CB 3.61Å; F364-P402 HydrophobicContact CZ-CG 3.82Å
403	E	98.4	Very high	94.4	Very high	7 Å²	7	55.2 Å²	55.2	3%	0.033	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.8	157.6	166.6	176.5	-143.3	0	0	109.4	R362 R363 S386 S387 A388 L405 K455	R362-E403 CarbonylContact C-O 3.57Å; R362-E403 WeakPolarHBondContact CA-O 3.49Å; R363-E403 HydrophobicContact CB-CB 4.28Å; R363-E403 PolarHBondContact N-O 3.37Å; R363-E403 PolarHBondContact O-N 3.13Å; S386-E403 WeakPolarHBondContact CA-OE2 3.39Å; S386-E403 VanDerWaalsContact CB-OE2 3.22Å; S386-E403 WeakPolarHBondContact CB-OE2 3.29Å; S386-E403 PolarHBondContact OG-OE2 3.47Å; S387-E403 PolarHBondContact N-OE1 2.85Å; S387-E403 PolarHBondContact N-OE2 2.76Å; S387-E403 WeakPolarHBondContact OG-CB 3.46Å; S387-E403 VanDerWaalsContact OG-CG 3.32Å; S387-E403 WeakPolarHBondContact OG-CG 3.31Å; A388-E403 HydrophobicContact CB-CB 3.98Å; E403-L405 HydrophobicContact CG-CD2 4.37Å; E403-K455 WeakPolarHBondContact OE1-CE 3.49Å; E403-K455 IonicContact OE1-NZ 3.19Å; E403-K455 PolarHBondContact OE1-NZ 2.72Å
404	N	97.8	Very high	94.6	Very high	74 Å²	74	51.5 Å²	51.5	40%	0.396	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.3	168.3	-69.9	-22.3	0	0	0	109.8	H406 K455	N404-H406 VanDerWaalsContact C-N 3.27Å; N404-H406 PolarHBondContact O-N 3.14Å; N404-K455 WeakPolarHBondContact O-CE 3.37Å
405	L	98.2	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-93.4	25.3	-179.9	-61.2	178.7	0	0	0	112.9	D324 P361 R363 E403 V452	D324-L405 HydrophobicContact CB-CD1 3.99Å; P361-L405 HydrophobicContact CB-CB 4.11Å; P361-L405 HydrophobicContact CG-CB 4.17Å; P361-L405 PolarHBondContact O-N 3.47Å; R363-L405 HydrophobicContact CB-CD1 4.07Å; R363-L405 HydrophobicContact CB-CD2 3.77Å; R363-L405 HydrophobicContact CB-CG 3.96Å; E403-L405 HydrophobicContact CG-CD2 4.37Å; L405-V452 HydrophobicContact CD1-CB 4.36Å; L405-V452 HydrophobicContact CD1-CG1 4.21Å; L405-V452 HydrophobicContact CD2-CB 4.48Å
406	H	96.8	Very high	95.4	Very high	20 Å²	20	44 Å²	44	9%	0.093	23%	0.225	C	C	.	.	S	Bend	trans	-147.6	164.4	-177	69.3	95.8	0	0	0	110.3	F360 P361 N404 L410	F360-H406 AromaticContact CD1-CE1 3.53Å; F360-H406 AromaticContact CD1-NE2 3.54Å; F360-H406 AromaticContact CE1-CE1 3.96Å; F360-H406 AromaticContact CG-NE2 3.66Å; P361-H406 HydrophobicContact CG-CB 4.17Å; N404-H406 VanDerWaalsContact C-N 3.27Å; N404-H406 PolarHBondContact O-N 3.14Å; H406-L410 HydrophobicContact CB-CB 3.91Å; H406-L410 HydrophobicContact CB-CD2 3.61Å; H406-L410 HydrophobicContact CB-CG 4.4Å
407	H	94.2	Very high	95.9	Very high	98 Å²	98	43.4 Å²	43.4	45%	0.454	22%	0.216	S	C	.	.			trans	-97.9	-176.7	165.8	-59.9	-65.3	0	0	0	110.4	D409 L410 N454 K455	H407-D409 VanDerWaalsContact C-OD1 3.25Å; H407-D409 WeakPolarHBondContact CB-OD1 3.4Å; H407-D409 PolarHBondContact O-N 2.86Å; H407-D409 VanDerWaalsContact O-N 3.13Å; H407-L410 PolarHBondContact O-N 3.49Å; H407-N454 PolarHBondContact NE2-O 3.11Å; H407-K455 PolarHBondContact CD2-O 3.12Å
408	E	91.8	Very high	96.1	Very high	164 Å²	164	42.1 Å²	42.1	77%	0.766	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.2	-178.8	-63.4	177.6	179.3	0	0	113.2	L410 E411	E408-L410 VanDerWaalsContact C-N 3.26Å; E408-L410 PolarHBondContact O-N 2.87Å; E408-E411 VanDerWaalsContact O-CB 3.28Å; E408-E411 WeakPolarHBondContact O-CB 3.36Å; E408-E411 WeakPolarHBondContact O-CG 3.41Å; E408-E411 PolarHBondContact O-N 3.35Å
409	D	92.9	Very high	96.2	Very high	57 Å²	57	42.4 Å²	42.4	31%	0.305	21%	0.212	S	C	.	.	H	α-helix	trans	-59.3	-30.6	178.4	55.8	-6.8	0	0	0	113.7	H407 E411 E412 L457	H407-D409 VanDerWaalsContact C-OD1 3.25Å; H407-D409 WeakPolarHBondContact CB-OD1 3.4Å; H407-D409 PolarHBondContact O-N 2.86Å; H407-D409 VanDerWaalsContact O-N 3.13Å; D409-E411 PolarHBondContact O-N 2.75Å; D409-E412 WeakPolarHBondContact O-CB 3.44Å; D409-E412 PolarHBondContact O-N 3.36Å; D409-L457 HydrophobicContact CB-CD2 4.09Å; D409-L457 WeakPolarHBondContact OD1-CD2 3.34Å; D409-L457 WeakPolarHBondContact OD2-CD2 3.43Å; D409-L457 VanDerWaalsContact OD2-CG 3.28Å; D409-L457 WeakPolarHBondContact OD2-CG 3.32Å
410	L	95.1	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69	-18.9	175.8	-167.3	64.1	0	0	0	113.1	F360 P361 H406 H407 E408 E412 E413 G415 I416 I448 L457	F360-L410 HydrophobicContact CD1-CD2 4.01Å; F360-L410 HydrophobicContact CD1-CG 4.3Å; F360-L410 HydrophobicContact CE1-CG 4.4Å; P361-L410 HydrophobicContact CG-CD2 3.85Å; H406-L410 HydrophobicContact CB-CB 3.91Å; H406-L410 HydrophobicContact CB-CD2 3.61Å; H406-L410 HydrophobicContact CB-CG 4.4Å; H407-L410 PolarHBondContact O-N 3.49Å; E408-L410 VanDerWaalsContact C-N 3.26Å; E408-L410 PolarHBondContact O-N 2.87Å; L410-E412 VanDerWaalsContact C-N 3.27Å; L410-E412 PolarHBondContact O-N 3.2Å; L410-E413 HydrophobicContact CD1-CB 4.11Å; L410-E413 HydrophobicContact CD1-CG 4.38Å; L410-E413 WeakPolarHBondContact O-CB 3.35Å; L410-E413 PolarHBondContact O-N 3.35Å; L410-G415 PolarHBondContact O-N 2.9Å; L410-I416 HydrophobicContact CD1-CB 4.31Å; L410-I416 HydrophobicContact CD2-CB 4.31Å; L410-I416 HydrophobicContact CD2-CG2 3.98Å; L410-I448 HydrophobicContact CD1-CD1 3.69Å; L410-I448 HydrophobicContact CD1-CG2 4.41Å; L410-L457 HydrophobicContact CB-CD2 4.02Å; L410-L457 HydrophobicContact CD1-CD2 4.09Å
411	E	92.9	Very high	96.3	Very high	100 Å²	100	42 Å²	42	47%	0.467	21%	0.212	S	C	.	.	H	α-helix	trans	-67.3	-31.7	176.4	-61.1	-165.2	-179.8	0	0	112.5	K358 F360 E408 D409 E413 G414	K358-E411 PolarHBondContact NZ-O 3.12Å; F360-E411 HydrophobicContact CE1-CG 4.07Å; F360-E411 HydrophobicContact CZ-CB 4.48Å; F360-E411 HydrophobicContact CZ-CG 3.87Å; E408-E411 VanDerWaalsContact O-CB 3.28Å; E408-E411 WeakPolarHBondContact O-CB 3.36Å; E408-E411 WeakPolarHBondContact O-CG 3.41Å; E408-E411 PolarHBondContact O-N 3.35Å; D409-E411 PolarHBondContact O-N 2.75Å; E411-E413 PolarHBondContact O-N 2.98Å; E411-G414 PolarHBondContact O-N 3.43Å
412	E	92.5	Very high	96.3	Very high	151 Å²	151	39.1 Å²	39.1	71%	0.706	19%	0.192	S	C	*	.	H	α-helix	trans	-67.3	-26.1	176.3	-57.2	-172	169.8	0	0	111.4	D409 L410 G414 R440	D409-E412 WeakPolarHBondContact O-CB 3.44Å; D409-E412 PolarHBondContact O-N 3.36Å; L410-E412 VanDerWaalsContact C-N 3.27Å; L410-E412 PolarHBondContact O-N 3.2Å; E412-G414 VanDerWaalsContact C-N 3.29Å; E412-G414 PolarHBondContact O-N 3.21Å; E412-R440 WeakPolarHBondContact O-CD 3.44Å; E412-R440 WeakPolarHBondContact O-CG 3.47Å
413	E	94.8	Very high	96.3	Very high	13 Å²	13	40.3 Å²	40.3	6%	0.061	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1	178.3	-56.7	-62.9	116	0	0	113.2	L410 E411 G415 G438 F439 R440 S446 I448 V459 R461	L410-E413 HydrophobicContact CD1-CB 4.11Å; L410-E413 HydrophobicContact CD1-CG 4.38Å; L410-E413 WeakPolarHBondContact O-CB 3.35Å; L410-E413 PolarHBondContact O-N 3.35Å; E411-E413 PolarHBondContact O-N 2.98Å; E413-G415 VanDerWaalsContact C-N 3.27Å; E413-G415 PolarHBondContact O-N 2.93Å; E413-G438 CarbonylContact O-C 3.6Å; E413-F439 PolarHBondContact O-N 2.88Å; E413-R440 VanDerWaalsContact O-CG 3.24Å; E413-R440 WeakPolarHBondContact O-CG 3.3Å; E413-R440 PolarHBondContact O-N 3.15Å; E413-S446 PolarHBondContact OE2-OG 2.79Å; E413-I448 HydrophobicContact CB-CD1 3.72Å; E413-I448 HydrophobicContact CG-CD1 4.02Å; E413-V459 HydrophobicContact CG-CG2 4.27Å; E413-V459 VanDerWaalsContact OE2-CG1 3.29Å; E413-V459 WeakPolarHBondContact OE2-CG1 3.11Å; E413-R461 IonicContact OE1-CZ 2.78Å; E413-R461 IonicContact OE1-NH1 3.26Å; E413-R461 PolarHBondContact OE1-NH1 2.73Å; E413-R461 IonicContact OE1-NH2 3.63Å; E413-R461 PolarHBondContact OE1-NH2 2.93Å; E413-R461 IonicContact OE2-CZ 2.89Å; E413-R461 IonicContact OE2-NH2 3.61Å; E413-R461 PolarHBondContact OE2-NH2 3.23Å
414	G	94.3	Very high	96.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	19.6	178.3	0	0	0	0	0	114	K356 E411 E412	K356-G414 PolarHBondContact NZ-O 3.29Å; E411-G414 PolarHBondContact O-N 3.43Å; E412-G414 VanDerWaalsContact C-N 3.29Å; E412-G414 PolarHBondContact O-N 3.21Å
415	G	96.4	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.			trans	86.8	-174.9	-172.1	0	0	0	0	0	112.8	S359 L410 E413 G438	S359-G415 CarbonylContact O-C 3.36Å; S359-G415 WeakPolarHBondContact O-CA 3.35Å; L410-G415 PolarHBondContact O-N 2.9Å; E413-G415 VanDerWaalsContact C-N 3.27Å; E413-G415 PolarHBondContact O-N 2.93Å; G415-G438 WeakPolarHBondContact O-CA 3.32Å
416	I	98.1	Very high	96	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138	-178.1	-164.4	163.8	0	0	0	111.6	S359 P361 L410 F434 C437 I448 V450	S359-I416 WeakPolarHBondContact CB-O 3.35Å; S359-I416 PolarHBondContact O-N 3.04Å; P361-I416 HydrophobicContact CB-CG2 4.36Å; P361-I416 HydrophobicContact CG-CG2 4.1Å; L410-I416 HydrophobicContact CD1-CB 4.31Å; L410-I416 HydrophobicContact CD2-CB 4.31Å; L410-I416 HydrophobicContact CD2-CG2 3.98Å; I416-F434 HydrophobicContact CD1-CE2 3.55Å; I416-F434 HydrophobicContact CD1-CZ 4.02Å; I416-F434 HydrophobicContact CG1-CE2 4.27Å; I416-F434 HydrophobicContact CG2-CE2 4.47Å; I416-C437 WeakPolarHBondContact CA-O 3.47Å; I416-I448 HydrophobicContact CD1-CB 3.84Å; I416-I448 HydrophobicContact CD1-CD1 4.23Å; I416-I448 HydrophobicContact CD1-CG2 4.02Å; I416-I448 HydrophobicContact CG1-CD1 4.42Å; I416-V450 HydrophobicContact CD1-CG2 3.76Å
417	E	98	Very high	96	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	177.3	177.7	-92	-59.2	166.7	0	0	110.3	H310 S359 G436 C437 F439	H310-E417 IonicContact CE1-OE2 2.84Å; H310-E417 IonicContact CG-OE2 2.8Å; H310-E417 IonicContact ND1-OE2 2.74Å; H310-E417 PolarHBondContact ND1-OE2 3.37Å; S359-E417 WeakPolarHBondContact CB-OE1 3.5Å; S359-E417 PolarHBondContact OG-OE1 2.78Å; E417-G436 WeakPolarHBondContact O-CA 3.5Å; E417-C437 PolarHBondContact N-O 2.93Å; E417-C437 VanDerWaalsContact N-O 3.08Å; E417-C437 PolarHBondContact O-N 2.83Å; E417-F439 HydrophobicContact CB-CD2 3.88Å; E417-F439 HydrophobicContact CB-CE2 3.32Å; E417-F439 HydrophobicContact CB-CZ 3.71Å; E417-F439 HydrophobicContact CG-CE2 4.39Å
418	F	98.1	Very high	96.2	Very high	11 Å²	11	41.6 Å²	41.6	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	53.3	-173.2	-64.7	-67.7	0	0	0	112.9	C437 F439 E469 F525 H526	F418-C437 HydrophobicContact CD2-CB 4.47Å; F418-F439 AromaticContact CD2-CE2 3.76Å; F418-F439 HydrophobicContact CD2-CE2 3.76Å; F418-F439 AromaticContact CD2-CZ 3.56Å; F418-F439 HydrophobicContact CD2-CZ 3.56Å; F418-F439 HydrophobicContact CE2-CE1 4.42Å; F418-F439 HydrophobicContact CE2-CE2 4.12Å; F418-F439 AromaticContact CE2-CZ 3.43Å; F418-F439 HydrophobicContact CE2-CZ 3.43Å; F418-F439 VanDerWaalsContact CE2-CZ 3.43Å; F418-E469 HydrophobicContact CB-CB 3.86Å; F418-E469 HydrophobicContact CB-CG 3.95Å; F418-E469 HydrophobicContact CD1-CB 4.29Å; F418-E469 HydrophobicContact CG-CB 4.16Å; F418-F525 HydrophobicContact CE1-CB 4.31Å; F418-F525 HydrophobicContact CZ-CD1 4.31Å; F418-H526 AromaticContact CD1-CE1 3.34Å; F418-H526 WeakPolarHBondContact CD1-CE1 3.1Å; F418-H526 AromaticContact CD1-ND1 3.71Å; F418-H526 AromaticContact CE1-CE1 3.34Å; F418-H526 WeakPolarHBondContact CE1-CE1 3.42Å; F418-H526 AromaticContact CE1-ND1 3.92Å; F418-H526 AromaticContact CE1-NE2 3.73Å
419	P	98.6	Very high	96.5	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	138.5	-177.4	31.4	-36.1	0	0	0	111.7	H310 I312 F434 Y435	H310-P419 VanDerWaalsContact CB-CD 3.41Å; H310-P419 HydrophobicContact CB-CG 3.52Å; I312-P419 HydrophobicContact CB-CB 4.23Å; I312-P419 HydrophobicContact CG1-CB 3.75Å; I312-P419 HydrophobicContact CG1-CG 4Å; I312-P419 HydrophobicContact CG2-CB 4.24Å; P419-F434 HydrophobicContact CB-CD2 4.12Å; P419-Y435 CarbonylContact C-O 3.54Å; P419-Y435 VanDerWaalsContact CA-O 3.26Å; P419-Y435 WeakPolarHBondContact CA-O 3.39Å
420	Q	98.7	Very high	96.7	Very high	47 Å²	47	42 Å²	42	22%	0.22	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.6	175.2	-74	-70.9	-26.8	0	0	109.3	F434 Y435 E469 P470	Q420-F434 CarbonylContact O-C 3.56Å; Q420-F434 WeakPolarHBondContact O-CA 3.37Å; Q420-F434 WeakPolarHBondContact O-CB 3.27Å; Q420-Y435 PolarHBondContact N-O 2.85Å; Q420-Y435 WeakPolarHBondContact O-CD2 3.48Å; Q420-Y435 PolarHBondContact O-N 2.86Å; Q420-E469 HydrophobicContact CG-CG 3.76Å; Q420-E469 PolarHBondContact NE2-OE1 2.79Å; Q420-P470 WeakPolarHBondContact CB-O 3.41Å; Q420-P470 WeakPolarHBondContact CG-O 3.38Å
421	I	98.7	Very high	96.9	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	21%	0.211	C	C	.	.			trans	-133	177.7	178.1	58	162.2	0	0	0	109.4	I312 N313 Y423 N427 Y431 F434	I312-I421 HydrophobicContact CG2-CG2 4.29Å; N313-I421 HydrophobicContact CB-CD1 4.11Å; I421-Y423 HydrophobicContact CG1-CD2 4.42Å; I421-Y423 PolarHBondContact O-N 2.84Å; I421-N427 HydrophobicContact CD1-CB 4.2Å; I421-Y431 HydrophobicContact CG2-CD2 4.13Å; I421-Y431 HydrophobicContact CG2-CE2 3.99Å; I421-F434 HydrophobicContact CG2-CB 3.55Å
422	N	98.1	Very high	97.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	20%	0.201	C	C	.	.			trans	-70.1	70	161.3	-173.2	-13.4	0	0	0	110.2	G424 R425 F426 F472 E481	N422-G424 PolarHBondContact O-N 3.44Å; N422-R425 PolarHBondContact O-N 2.84Å; N422-R425 VanDerWaalsContact O-N 3.17Å; N422-F426 HydrophobicContact CB-CD2 3.87Å; N422-F426 WeakPolarHBondContact O-CB 3.36Å; N422-F426 PolarHBondContact O-N 2.95Å; N422-F472 HydrophobicContact CB-CD1 3.78Å; N422-F472 HydrophobicContact CB-CE1 3.49Å; N422-F472 VanDerWaalsContact CB-CE1 3.49Å; N422-F472 HydrophobicContact CB-CG 4.47Å; N422-F472 HydrophobicContact CB-CZ 3.96Å; N422-F472 WeakPolarHBondContact ND2-CE1 3.5Å; N422-E481 PolarHBondContact ND2-O 3.06Å
423	Y	97.5	Very high	97.4	Very high	71 Å²	71	33.8 Å²	33.8	28%	0.278	18%	0.175	S	C	.	.	H	α-helix	trans	-57.2	-46.9	-165.9	-173.4	-83.2	0	0	0	112.1	H181 Y182 I421 R425 F426 N427	H181-Y423 VanDerWaalsContact CA-OH 3.24Å; H181-Y423 WeakPolarHBondContact CA-OH 3.28Å; H181-Y423 WeakPolarHBondContact CB-OH 3.43Å; H181-Y423 AromaticContact ND1-CE2 3.76Å; H181-Y423 AromaticContact ND1-CZ 3.76Å; H181-Y423 PolarHBondContact ND1-OH 3.04Å; Y182-Y423 HydrophobicContact CD2-CE1 4.32Å; Y182-Y423 PolarHBondContact N-OH 2.8Å; I421-Y423 HydrophobicContact CG1-CD2 4.42Å; I421-Y423 PolarHBondContact O-N 2.84Å; Y423-R425 PolarHBondContact O-N 2.81Å; Y423-R425 VanDerWaalsContact O-N 3.11Å; Y423-F426 PolarHBondContact O-N 2.95Å; Y423-N427 HydrophobicContact CD1-CB 4.02Å; Y423-N427 HydrophobicContact CD2-CB 3.68Å; Y423-N427 HydrophobicContact CE1-CB 4.04Å; Y423-N427 HydrophobicContact CE2-CB 3.73Å; Y423-N427 WeakPolarHBondContact CE2-OD1 3.48Å; Y423-N427 HydrophobicContact CG-CB 3.84Å; Y423-N427 VanDerWaalsContact CZ-CG 3.49Å; Y423-N427 WeakPolarHBondContact O-CB 3.44Å; Y423-N427 PolarHBondContact O-N 2.74Å; Y423-N427 PolarHBondContact OH-ND2 3.43Å
424	G	94.8	Very high	97.6	Very high	73 Å²	73	33.2 Å²	33.2	75%	0.753	17%	0.172	S	C	*	.	H	α-helix	trans	-59.7	-26.1	-177	0	0	0	0	0	114.3	N422	N422-G424 PolarHBondContact O-N 3.44Å
425	R	95.6	Very high	97.8	Very high	87 Å²	87	33.3 Å²	33.3	33%	0.328	17%	0.173	S	C	.	.	H	α-helix	trans	-106.2	-34.2	179.7	-67.5	-178	71.5	-146.3	-3.8	113.4	N422 Y423 K429 A478 D479 E480	N422-R425 PolarHBondContact O-N 2.84Å; N422-R425 VanDerWaalsContact O-N 3.17Å; Y423-R425 PolarHBondContact O-N 2.81Å; Y423-R425 VanDerWaalsContact O-N 3.11Å; R425-K429 WeakPolarHBondContact O-CD 3.46Å; R425-K429 WeakPolarHBondContact O-CE 3.37Å; R425-K429 PolarHBondContact O-NZ 3.12Å; R425-A478 PolarHBondContact NH1-O 2.78Å; R425-D479 VanDerWaalsContact NH1-C 3.32Å; R425-D479 PolarHBondContact NH1-O 3.16Å; R425-D479 PolarHBondContact NH2-O 3.06Å; R425-E480 PolarHBondContact NH1-O 3.44Å
426	F	97.4	Very high	97.9	Very high	35 Å²	35	33.3 Å²	33.3	15%	0.154	17%	0.173	C	C	.	.	H	α-helix	trans	-119.1	-6.3	-166	-69	-91.9	0	0	0	115.7	N313 N422 Y423 G428 K429 E481	N313-F426 PolarHBondContact ND2-O 3.25Å; N422-F426 HydrophobicContact CB-CD2 3.87Å; N422-F426 WeakPolarHBondContact O-CB 3.36Å; N422-F426 PolarHBondContact O-N 2.95Å; Y423-F426 PolarHBondContact O-N 2.95Å; F426-G428 PolarHBondContact O-N 2.95Å; F426-K429 PolarHBondContact O-N 2.83Å; F426-K429 VanDerWaalsContact O-N 3.09Å; F426-K429 VanDerWaalsContact O-O 3.14Å; F426-E481 HydrophobicContact CD1-CG 4.19Å; F426-E481 HydrophobicContact CD2-CB 4.44Å; F426-E481 HydrophobicContact CD2-CG 3.82Å; F426-E481 HydrophobicContact CE1-CB 4.15Å; F426-E481 HydrophobicContact CE1-CG 4.02Å; F426-E481 HydrophobicContact CE2-CB 3.77Å; F426-E481 HydrophobicContact CE2-CG 3.66Å; F426-E481 HydrophobicContact CG-CG 4.1Å; F426-E481 HydrophobicContact CZ-CB 3.59Å; F426-E481 HydrophobicContact CZ-CG 3.75Å
427	N	97.8	Very high	97.9	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.118	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	134.4	169.6	179.4	67.8	0	0	0	110.1	H181 I421 Y423 K429	H181-N427 PolarHBondContact ND1-OD1 3.35Å; I421-N427 HydrophobicContact CD1-CB 4.2Å; Y423-N427 HydrophobicContact CD1-CB 4.02Å; Y423-N427 HydrophobicContact CD2-CB 3.68Å; Y423-N427 HydrophobicContact CE1-CB 4.04Å; Y423-N427 HydrophobicContact CE2-CB 3.73Å; Y423-N427 WeakPolarHBondContact CE2-OD1 3.48Å; Y423-N427 HydrophobicContact CG-CB 3.84Å; Y423-N427 VanDerWaalsContact CZ-CG 3.49Å; Y423-N427 WeakPolarHBondContact O-CB 3.44Å; Y423-N427 PolarHBondContact O-N 2.74Å; Y423-N427 PolarHBondContact OH-ND2 3.43Å; N427-K429 PolarHBondContact O-N 2.89Å
428	G	98	Very high	97.9	Very high	9 Å²	9	32.8 Å²	32.8	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	3.4	-178.1	0	0	0	0	0	114.8	N313 A314 F426	N313-G428 PolarHBondContact OD1-N 3.13Å; N313-G428 VanDerWaalsContact OD1-N 3.11Å; A314-G428 CarbonylContact O-C 3.57Å; A314-G428 WeakPolarHBondContact O-CA 3.28Å; A314-G428 PolarHBondContact O-N 3.37Å; F426-G428 PolarHBondContact O-N 2.95Å
429	K	97.7	Very high	97.8	Very high	123 Å²	123	32.6 Å²	32.6	54%	0.535	17%	0.169	S	C	.	.	S	Bend	trans	-130.4	157.9	-175.5	-58.2	-178.6	-164.7	158.8	0	111.3	N313 R425 F426 N427 Y431	N313-K429 PolarHBondContact ND2-O 2.84Å; R425-K429 WeakPolarHBondContact O-CD 3.46Å; R425-K429 WeakPolarHBondContact O-CE 3.37Å; R425-K429 PolarHBondContact O-NZ 3.12Å; F426-K429 PolarHBondContact O-N 2.83Å; F426-K429 VanDerWaalsContact O-N 3.09Å; F426-K429 VanDerWaalsContact O-O 3.14Å; N427-K429 PolarHBondContact O-N 2.89Å; K429-Y431 PolarHBondContact O-N 2.95Å
430	K	97.7	Very high	97.4	Very high	107 Å²	107	34.2 Å²	34.2	47%	0.465	17%	0.174	S	C	.	.			trans	-57.9	133.7	171.5	-167.2	169.7	-168.9	161.5	0	109.6	F315 D317	F315-K430 HydrophobicContact CD2-CB 3.93Å; F315-K430 HydrophobicContact CD2-CG 4.34Å; F315-K430 HydrophobicContact CE2-CB 3.96Å; F315-K430 HydrophobicContact CE2-CD 4.24Å; F315-K430 HydrophobicContact CE2-CG 3.85Å; F315-K430 HydrophobicContact CG-CB 4.36Å; F315-K430 HydrophobicContact CZ-CB 4.43Å; F315-K430 HydrophobicContact CZ-CG 4.03Å; D317-K430 IonicContact OD2-NZ 3.34Å; D317-K430 PolarHBondContact OD2-NZ 2.82Å
431	Y	98.4	Very high	96.9	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.02	17%	0.166	C	C	.	.			trans	-145.7	166.6	-169	80.1	-66.9	0	0	0	109.4	I312 N313 F315 D324 I421 K429 F433 F434 V452 E481	I312-Y431 HydrophobicContact CG2-CE2 4.33Å; I312-Y431 WeakPolarHBondContact CG2-OH 3.34Å; N313-Y431 HydrophobicContact CB-CD1 3.96Å; N313-Y431 HydrophobicContact CB-CE1 3.6Å; N313-Y431 HydrophobicContact CB-CE2 4.3Å; N313-Y431 HydrophobicContact CB-CG 4.49Å; N313-Y431 WeakPolarHBondContact ND2-CD1 3.23Å; F315-Y431 HydrophobicContact CD1-CD1 4.19Å; F315-Y431 HydrophobicContact CD1-CE1 4.38Å; F315-Y431 HydrophobicContact CE1-CD1 4.11Å; F315-Y431 HydrophobicContact CE1-CE1 4.11Å; D324-Y431 WeakPolarHBondContact CB-OH 3.44Å; D324-Y431 WeakPolarHBondContact OD2-CE1 3.38Å; D324-Y431 VanDerWaalsContact OD2-CZ 3.28Å; D324-Y431 PolarHBondContact OD2-OH 3.28Å; I421-Y431 HydrophobicContact CG2-CD2 4.13Å; I421-Y431 HydrophobicContact CG2-CE2 3.99Å; K429-Y431 PolarHBondContact O-N 2.95Å; Y431-F433 WeakPolarHBondContact CD2-O 3.4Å; Y431-F434 HydrophobicContact CE2-CB 4.21Å; Y431-V452 HydrophobicContact CE2-CG1 4.12Å; Y431-V452 HydrophobicContact CE2-CG2 4.44Å; Y431-E481 WeakPolarHBondContact CB-OE1 3.15Å
432	S	98.2	Very high	96.6	Very high	38 Å²	38	32.5 Å²	32.5	27%	0.266	17%	0.166	S	C	.	.	S	Bend	trans	-122	-26	-172.3	-38.6	0	0	0	0	112.6	D451 V452 E481	S432-D451 CarbonylContact O-C 3.52Å; S432-D451 WeakPolarHBondContact O-CA 3.45Å; S432-V452 PolarHBondContact O-N 2.9Å; S432-E481 VanDerWaalsContact CB-OE2 3.28Å; S432-E481 WeakPolarHBondContact CB-OE2 3.5Å; S432-E481 PolarHBondContact N-OE1 2.82Å; S432-E481 PolarHBondContact N-OE2 2.75Å; S432-E481 PolarHBondContact OG-OE2 2.96Å
433	F	98.7	Very high	96.3	Very high	36 Å²	36	32.3 Å²	32.3	16%	0.158	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.3	-172.2	-53.4	-67.7	0	0	0	113.3	Y431 V450 D451 E481 D482	Y431-F433 WeakPolarHBondContact CD2-O 3.4Å; F433-V450 WeakPolarHBondContact CA-O 3.25Å; F433-D451 HydrophobicContact CD1-CB 4.09Å; F433-D451 HydrophobicContact CE1-CB 3.88Å; F433-E481 HydrophobicContact CD2-CB 4.2Å; F433-E481 HydrophobicContact CD2-CG 4.07Å; F433-E481 PolarHBondContact N-OE1 2.69Å; F433-D482 HydrophobicContact CD2-CB 3.76Å; F433-D482 HydrophobicContact CE2-CB 4.05Å; F433-D482 HydrophobicContact CG-CB 4.38Å
434	F	98.8	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	165.1	159.7	77.6	-85.6	0	0	0	110.7	I312 P361 I416 P419 Q420 I421 Y431 V450 V452	I312-F434 HydrophobicContact CD1-CD2 4.49Å; I312-F434 HydrophobicContact CD1-CE1 4.15Å; I312-F434 HydrophobicContact CD1-CE2 4.12Å; I312-F434 HydrophobicContact CD1-CZ 3.96Å; I312-F434 HydrophobicContact CG2-CB 3.63Å; I312-F434 HydrophobicContact CG2-CD1 3.88Å; I312-F434 HydrophobicContact CG2-CD2 3.96Å; I312-F434 HydrophobicContact CG2-CG 3.57Å; P361-F434 HydrophobicContact CB-CE1 4.09Å; P361-F434 HydrophobicContact CB-CZ 3.63Å; P361-F434 HydrophobicContact CG-CZ 4.01Å; I416-F434 HydrophobicContact CD1-CE2 3.55Å; I416-F434 HydrophobicContact CD1-CZ 4.02Å; I416-F434 HydrophobicContact CG1-CE2 4.27Å; I416-F434 HydrophobicContact CG2-CE2 4.47Å; P419-F434 HydrophobicContact CB-CD2 4.12Å; Q420-F434 CarbonylContact O-C 3.56Å; Q420-F434 WeakPolarHBondContact O-CA 3.37Å; Q420-F434 WeakPolarHBondContact O-CB 3.27Å; I421-F434 HydrophobicContact CG2-CB 3.55Å; Y431-F434 HydrophobicContact CE2-CB 4.21Å; F434-V450 HydrophobicContact CD1-CB 3.82Å; F434-V450 HydrophobicContact CD1-CG1 4.18Å; F434-V450 HydrophobicContact CE1-CB 3.36Å; F434-V450 HydrophobicContact CE1-CG1 3.44Å; F434-V450 VanDerWaalsContact CE1-CG1 3.44Å; F434-V450 HydrophobicContact CE1-CG2 3.88Å; F434-V450 HydrophobicContact CE2-CB 4.31Å; F434-V450 HydrophobicContact CE2-CG2 4.07Å; F434-V450 HydrophobicContact CG-CB 4.46Å; F434-V450 HydrophobicContact CZ-CB 3.62Å; F434-V450 HydrophobicContact CZ-CG1 3.93Å; F434-V450 HydrophobicContact CZ-CG2 3.56Å; F434-V450 PolarHBondContact N-O 3.24Å; F434-V450 VanDerWaalsContact N-O 3.17Å; F434-V450 PolarHBondContact O-N 2.88Å; F434-V452 HydrophobicContact CD1-CG1 3.56Å; F434-V452 HydrophobicContact CE1-CG1 3.81Å
435	Y	98.8	Very high	96.3	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.5	-178.4	-46.3	-86.4	0	0	0	108.7	P419 Q420 I448 K449 F472 D482 I486 A506 F509	P419-Y435 CarbonylContact C-O 3.54Å; P419-Y435 VanDerWaalsContact CA-O 3.26Å; P419-Y435 WeakPolarHBondContact CA-O 3.39Å; Q420-Y435 PolarHBondContact N-O 2.85Å; Q420-Y435 WeakPolarHBondContact O-CD2 3.48Å; Q420-Y435 PolarHBondContact O-N 2.86Å; Y435-I448 CarbonylContact C-O 3.55Å; Y435-I448 VanDerWaalsContact CA-O 3.23Å; Y435-I448 WeakPolarHBondContact CA-O 3.38Å; Y435-K449 HydrophobicContact CD1-CB 3.89Å; Y435-K449 HydrophobicContact CD1-CG 3.97Å; Y435-K449 HydrophobicContact CE1-CB 4.1Å; Y435-K449 HydrophobicContact CE1-CD 3.9Å; Y435-K449 HydrophobicContact CE1-CG 3.74Å; Y435-F472 HydrophobicContact CD2-CB 4.31Å; Y435-F472 HydrophobicContact CD2-CD2 4.3Å; Y435-F472 HydrophobicContact CE2-CB 4.21Å; Y435-F472 AromaticContact CE2-CD2 3.46Å; Y435-F472 HydrophobicContact CE2-CD2 3.46Å; Y435-F472 VanDerWaalsContact CE2-CD2 3.46Å; Y435-F472 HydrophobicContact CE2-CE2 4.17Å; Y435-F472 HydrophobicContact CE2-CG 4.11Å; Y435-F472 AromaticContact CZ-CD2 3.75Å; Y435-D482 WeakPolarHBondContact OH-CB 3.4Å; Y435-I486 HydrophobicContact CD1-CD1 3.58Å; Y435-I486 HydrophobicContact CD1-CG1 3.86Å; Y435-I486 HydrophobicContact CD2-CD1 3.65Å; Y435-I486 HydrophobicContact CE1-CD1 3.75Å; Y435-I486 HydrophobicContact CE1-CG1 4.02Å; Y435-I486 HydrophobicContact CE2-CD1 3.85Å; Y435-I486 HydrophobicContact CG-CD1 3.52Å; Y435-I486 HydrophobicContact CG-CG1 4.25Å; Y435-A506 HydrophobicContact CE1-CB 4.28Å; Y435-F509 HydrophobicContact CD1-CE2 4Å
436	G	98.6	Very high	96.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	-178.4	176.7	0	0	0	0	0	112.5	E417 L447 I448	E417-G436 WeakPolarHBondContact O-CA 3.5Å; G436-L447 WeakPolarHBondContact O-CA 3.23Å; G436-I448 PolarHBondContact N-O 3.42Å; G436-I448 PolarHBondContact O-N 3.38Å
437	C	98.4	Very high	96.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.3	173.4	-65.3	0	0	0	0	110.5	I416 E417 F418 F439 S446 S468	I416-C437 WeakPolarHBondContact CA-O 3.47Å; E417-C437 PolarHBondContact N-O 2.93Å; E417-C437 VanDerWaalsContact N-O 3.08Å; E417-C437 PolarHBondContact O-N 2.83Å; F418-C437 HydrophobicContact CD2-CB 4.47Å; C437-F439 HydrophobicContact CB-CD2 4.08Å; C437-F439 HydrophobicContact CB-CE2 3.71Å; C437-F439 WeakPolarHBondContact O-CD2 3.46Å; C437-S446 CarbonylContact C-O 3.47Å; C437-S446 VanDerWaalsContact CA-O 3.23Å; C437-S446 WeakPolarHBondContact CA-O 3.22Å; C437-S468 VanDerWaalsContact SG-C 3.56Å; C437-S468 PolarHBondContact SG-O 2.83Å; C437-S468 VanDerWaalsContact SG-O 3.39Å
438	G	97.6	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	145.6	162.7	0	0	0	0	0	110.8	E413 G415 G444 D445 S446	E413-G438 CarbonylContact O-C 3.6Å; G415-G438 WeakPolarHBondContact O-CA 3.32Å; G438-G444 CarbonylContact O-C 3.58Å; G438-G444 VanDerWaalsContact O-CA 3.25Å; G438-G444 WeakPolarHBondContact O-CA 3.2Å; G438-D445 PolarHBondContact O-N 2.92Å; G438-D445 VanDerWaalsContact O-OD1 3.06Å; G438-S446 VanDerWaalsContact CA-OG 3.3Å; G438-S446 WeakPolarHBondContact CA-OG 3.48Å; G438-S446 PolarHBondContact N-O 2.81Å
439	F	95	Very high	96.5	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.031	9%	0.085	C	C	.	.			trans	-123.1	47.2	-168.3	-90.4	-111.2	0	0	0	112.8	Y353 K356 E413 E417 F418 C437 H441 L442	Y353-F439 WeakPolarHBondContact CE2-O 3.4Å; K356-F439 PolarHBondContact NZ-O 2.8Å; E413-F439 PolarHBondContact O-N 2.88Å; E417-F439 HydrophobicContact CB-CD2 3.88Å; E417-F439 HydrophobicContact CB-CE2 3.32Å; E417-F439 HydrophobicContact CB-CZ 3.71Å; E417-F439 HydrophobicContact CG-CE2 4.39Å; F418-F439 AromaticContact CD2-CE2 3.76Å; F418-F439 HydrophobicContact CD2-CE2 3.76Å; F418-F439 AromaticContact CD2-CZ 3.56Å; F418-F439 HydrophobicContact CD2-CZ 3.56Å; F418-F439 HydrophobicContact CE2-CE1 4.42Å; F418-F439 HydrophobicContact CE2-CE2 4.12Å; F418-F439 AromaticContact CE2-CZ 3.43Å; F418-F439 HydrophobicContact CE2-CZ 3.43Å; F418-F439 VanDerWaalsContact CE2-CZ 3.43Å; C437-F439 HydrophobicContact CB-CD2 4.08Å; C437-F439 HydrophobicContact CB-CE2 3.71Å; C437-F439 WeakPolarHBondContact O-CD2 3.46Å; F439-H441 PolarHBondContact O-N 3.31Å; F439-L442 VanDerWaalsContact CD1-O 3.23Å; F439-L442 WeakPolarHBondContact CD1-O 3.4Å; F439-L442 WeakPolarHBondContact CE1-O 3.49Å
440	R	91.8	Very high	96.6	Very high	47 Å²	47	13 Å²	13	18%	0.177	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.9	177.3	-51.6	-179.8	-57.5	158.3	11.4	113.4	L8 Y353 E412 E413 D445 E463	L8-R440 WeakPolarHBondContact CD2-O 3.12Å; Y353-R440 WeakPolarHBondContact CD2-O 3.49Å; Y353-R440 VanDerWaalsContact CE2-C 3.46Å; Y353-R440 WeakPolarHBondContact CE2-O 3.15Å; E412-R440 WeakPolarHBondContact O-CD 3.44Å; E412-R440 WeakPolarHBondContact O-CG 3.47Å; E413-R440 VanDerWaalsContact O-CG 3.24Å; E413-R440 WeakPolarHBondContact O-CG 3.3Å; E413-R440 PolarHBondContact O-N 3.15Å; R440-D445 WeakPolarHBondContact CB-OD2 3.2Å; R440-D445 IonicContact CZ-OD2 2.87Å; R440-D445 PolarHBondContact N-OD1 3.09Å; R440-D445 IonicContact NE-OD1 3.64Å; R440-D445 IonicContact NE-OD2 3.5Å; R440-D445 PolarHBondContact NE-OD2 3.22Å; R440-D445 IonicContact NH2-OD2 2.94Å; R440-D445 PolarHBondContact NH2-OD2 3.47Å; R440-E463 IonicContact NH2-OE1 2.67Å
441	H	87.7	Confident	96.6	Very high	14 Å²	14	8.9 Å²	8.9	7%	0.065	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	28.3	-175.5	-66.4	89	0	0	0	113.4	L8 P9 I11 F439 V443 D445 Y466	L8-H441 VanDerWaalsContact CD2-CD2 3.46Å; L8-H441 WeakPolarHBondContact CD2-CD2 2.98Å; L8-H441 WeakPolarHBondContact CD2-NE2 3.39Å; P9-H441 WeakPolarHBondContact CD-NE2 3.45Å; I11-H441 VanDerWaalsContact CD1-O 3.3Å; I11-H441 WeakPolarHBondContact CD1-O 3.47Å; I11-H441 HydrophobicContact CG2-CB 4.28Å; F439-H441 PolarHBondContact O-N 3.31Å; H441-V443 HydrophobicContact CB-CG2 4.49Å; H441-V443 PolarHBondContact O-N 2.92Å; H441-D445 HydrophobicContact CB-CB 4.2Å; H441-D445 IonicContact CE1-OD2 3.53Å; H441-D445 PolarHBondContact CE1-OD2 3.4Å; H441-D445 VanDerWaalsContact CE1-OD2 3.29Å; H441-D445 WeakPolarHBondContact ND1-CB 3.46Å; H441-D445 IonicContact ND1-OD2 2.79Å; H441-D445 PolarHBondContact ND1-OD2 3.28Å; H441-Y466 HydrophobicContact CB-CE1 3.96Å
442	L	91.2	Very high	96.6	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.01	4%	0.044	C	C	.	.	S	Bend	trans	63.2	-22.5	-172.7	-57	169.8	0	0	0	115.2	I11 Y337 L342 L349 V352 Y353 K356 F439	I11-L442 HydrophobicContact CD1-CB 4.29Å; Y337-L442 WeakPolarHBondContact CE1-O 3.43Å; Y337-L442 PolarHBondContact OH-O 2.85Å; L342-L442 HydrophobicContact CD2-CB 4.1Å; L342-L442 HydrophobicContact CD2-CD1 3.88Å; L349-L442 HydrophobicContact CD1-CD1 3.66Å; V352-L442 HydrophobicContact CB-CD1 4.2Å; V352-L442 HydrophobicContact CG1-CD1 3.58Å; V352-L442 HydrophobicContact CG1-CD2 4.33Å; Y353-L442 HydrophobicContact CD2-CD2 4.23Å; Y353-L442 HydrophobicContact CD2-CG 4.42Å; K356-L442 HydrophobicContact CB-CD2 4.05Å; K356-L442 HydrophobicContact CD-CD2 3.63Å; K356-L442 HydrophobicContact CG-CD2 4.39Å; F439-L442 VanDerWaalsContact CD1-O 3.23Å; F439-L442 WeakPolarHBondContact CD1-O 3.4Å; F439-L442 WeakPolarHBondContact CE1-O 3.49Å
443	V	93.5	Very high	96.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-110.2	171.8	164.9	-64.2	0	0	0	0	109.3	I11 L14 W59 H441 D445 Y466 Y523	I11-V443 HydrophobicContact CD1-CG1 4.32Å; I11-V443 HydrophobicContact CD1-CG2 4.42Å; I11-V443 HydrophobicContact CG2-CG2 4.28Å; L14-V443 HydrophobicContact CD1-CG2 4.34Å; W59-V443 HydrophobicContact CH2-CG1 4.48Å; H441-V443 HydrophobicContact CB-CG2 4.49Å; H441-V443 PolarHBondContact O-N 2.92Å; V443-D445 PolarHBondContact O-N 2.93Å; V443-Y466 HydrophobicContact CG2-CD1 3.7Å; V443-Y466 HydrophobicContact CG2-CE1 4.22Å; V443-Y466 HydrophobicContact CG2-CG 4.5Å; V443-Y523 HydrophobicContact CB-CD2 4.01Å; V443-Y523 HydrophobicContact CB-CE1 4.3Å; V443-Y523 HydrophobicContact CB-CE2 3.79Å; V443-Y523 HydrophobicContact CB-CG 4.37Å; V443-Y523 HydrophobicContact CG1-CD1 4.4Å; V443-Y523 HydrophobicContact CG1-CD2 4.38Å; V443-Y523 HydrophobicContact CG1-CG 4.29Å; V443-Y523 HydrophobicContact CG2-CD2 4.3Å; V443-Y523 HydrophobicContact CG2-CE2 4.21Å
444	G	95.2	Very high	96.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.			trans	-62.2	124.9	172.9	0	0	0	0	0	111.3	G438 Y466 Y523	G438-G444 CarbonylContact O-C 3.58Å; G438-G444 VanDerWaalsContact O-CA 3.25Å; G438-G444 WeakPolarHBondContact O-CA 3.2Å; G444-Y466 WeakPolarHBondContact O-CA 3.48Å; G444-Y466 WeakPolarHBondContact O-CB 3.13Å; G444-Y523 WeakPolarHBondContact CA-OH 3.5Å; G444-Y523 PolarHBondContact N-OH 2.98Å
445	D	95.5	Very high	96.3	Very high	4 Å²	4	17 Å²	17	2%	0.021	9%	0.088	C	C	.	.			trans	-126.6	0.1	-179.2	85.1	-44.1	0	0	0	113.2	G438 R440 H441 V443 Y466	G438-D445 PolarHBondContact O-N 2.92Å; G438-D445 VanDerWaalsContact O-OD1 3.06Å; R440-D445 WeakPolarHBondContact CB-OD2 3.2Å; R440-D445 IonicContact CZ-OD2 2.87Å; R440-D445 PolarHBondContact N-OD1 3.09Å; R440-D445 IonicContact NE-OD1 3.64Å; R440-D445 IonicContact NE-OD2 3.5Å; R440-D445 PolarHBondContact NE-OD2 3.22Å; R440-D445 IonicContact NH2-OD2 2.94Å; R440-D445 PolarHBondContact NH2-OD2 3.47Å; H441-D445 HydrophobicContact CB-CB 4.2Å; H441-D445 IonicContact CE1-OD2 3.53Å; H441-D445 PolarHBondContact CE1-OD2 3.4Å; H441-D445 VanDerWaalsContact CE1-OD2 3.29Å; H441-D445 WeakPolarHBondContact ND1-CB 3.46Å; H441-D445 IonicContact ND1-OD2 2.79Å; H441-D445 PolarHBondContact ND1-OD2 3.28Å; V443-D445 PolarHBondContact O-N 2.93Å; D445-Y466 HydrophobicContact CB-CD1 4.2Å; D445-Y466 HydrophobicContact CB-CE1 4.43Å
446	S	97.9	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	155.3	-179.7	44.2	0	0	0	0	108.8	E413 C437 G438 W460	E413-S446 PolarHBondContact OE2-OG 2.79Å; C437-S446 CarbonylContact C-O 3.47Å; C437-S446 VanDerWaalsContact CA-O 3.23Å; C437-S446 WeakPolarHBondContact CA-O 3.22Å; G438-S446 VanDerWaalsContact CA-OG 3.3Å; G438-S446 WeakPolarHBondContact CA-OG 3.48Å; G438-S446 PolarHBondContact N-O 2.81Å; S446-W460 CarbonylContact C-O 3.49Å; S446-W460 WeakPolarHBondContact CA-O 3.17Å; S446-W460 WeakPolarHBondContact CB-O 3.48Å
447	L	98.8	Very high	96.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.3	167.9	-63.6	176.7	0	0	0	108	G436 V459 W460 P467 P470 L502 L504 F509	G436-L447 WeakPolarHBondContact O-CA 3.23Å; L447-V459 WeakPolarHBondContact O-CA 3.36Å; L447-W460 HydrophobicContact CB-CB 4.36Å; L447-W460 HydrophobicContact CB-CE3 4.39Å; L447-W460 HydrophobicContact CD1-CE3 4.11Å; L447-W460 HydrophobicContact CG-CE3 4.12Å; L447-W460 PolarHBondContact N-O 2.81Å; L447-W460 PolarHBondContact O-N 3.5Å; L447-P467 HydrophobicContact CD1-CB 4.18Å; L447-P467 HydrophobicContact CD2-CB 3.68Å; L447-P467 HydrophobicContact CD2-CG 3.92Å; L447-P467 HydrophobicContact CG-CB 3.71Å; L447-P467 HydrophobicContact CG-CG 3.86Å; L447-P470 HydrophobicContact CD2-CB 3.92Å; L447-P470 HydrophobicContact CD2-CG 4.11Å; L447-L502 HydrophobicContact CD1-CD2 3.85Å; L447-L504 HydrophobicContact CD1-CD1 3.85Å; L447-F509 HydrophobicContact CB-CE1 4.11Å; L447-F509 HydrophobicContact CB-CZ 3.72Å; L447-F509 VanDerWaalsContact O-CE1 3.31Å; L447-F509 WeakPolarHBondContact O-CE1 3.2Å
448	I	98.6	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.8	-176.7	-49.1	-179.7	0	0	0	108.6	L410 E413 I416 Y435 G436 V450 L457 R458 V459	L410-I448 HydrophobicContact CD1-CD1 3.69Å; L410-I448 HydrophobicContact CD1-CG2 4.41Å; E413-I448 HydrophobicContact CB-CD1 3.72Å; E413-I448 HydrophobicContact CG-CD1 4.02Å; I416-I448 HydrophobicContact CD1-CB 3.84Å; I416-I448 HydrophobicContact CD1-CD1 4.23Å; I416-I448 HydrophobicContact CD1-CG2 4.02Å; I416-I448 HydrophobicContact CG1-CD1 4.42Å; Y435-I448 CarbonylContact C-O 3.55Å; Y435-I448 VanDerWaalsContact CA-O 3.23Å; Y435-I448 WeakPolarHBondContact CA-O 3.38Å; G436-I448 PolarHBondContact N-O 3.42Å; G436-I448 PolarHBondContact O-N 3.38Å; I448-V450 HydrophobicContact CG2-CG2 3.87Å; I448-L457 HydrophobicContact CG2-CB 4.03Å; I448-R458 CarbonylContact C-O 3.47Å; I448-R458 WeakPolarHBondContact CA-O 3.08Å; I448-V459 HydrophobicContact CG1-CG2 4.36Å; I448-V459 HydrophobicContact CG2-CG2 4.44Å
449	K	98.7	Very high	96.2	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.2	162.1	174.4	-178	-177.5	170.7	0	108.3	Y435 L457 R458 D482 A506 K507 F509	Y435-K449 HydrophobicContact CD1-CB 3.89Å; Y435-K449 HydrophobicContact CD1-CG 3.97Å; Y435-K449 HydrophobicContact CE1-CB 4.1Å; Y435-K449 HydrophobicContact CE1-CD 3.9Å; Y435-K449 HydrophobicContact CE1-CG 3.74Å; K449-L457 CarbonylContact O-C 3.58Å; K449-L457 VanDerWaalsContact O-CA 3.27Å; K449-L457 WeakPolarHBondContact O-CA 3.44Å; K449-R458 HydrophobicContact CB-CB 4.36Å; K449-R458 PolarHBondContact N-O 3.38Å; K449-R458 PolarHBondContact O-N 2.88Å; K449-D482 IonicContact NZ-OD2 2.66Å; K449-D482 PolarHBondContact NZ-OD2 3.3Å; K449-A506 WeakPolarHBondContact CD-O 3.5Å; K449-A506 WeakPolarHBondContact CE-O 3.48Å; K449-A506 PolarHBondContact NZ-O 2.89Å; K449-K507 PolarHBondContact NZ-O 3.18Å; K449-F509 HydrophobicContact CB-CD1 4.38Å; K449-F509 HydrophobicContact CB-CD2 3.74Å; K449-F509 HydrophobicContact CB-CE1 4.4Å; K449-F509 HydrophobicContact CB-CE2 3.78Å; K449-F509 HydrophobicContact CB-CG 4.04Å; K449-F509 HydrophobicContact CB-CZ 4.11Å; K449-F509 HydrophobicContact CD-CD2 4.42Å
450	V	98.6	Very high	96.3	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.8	177.3	-179.4	0	0	0	0	109.7	I416 F433 F434 I448	I416-V450 HydrophobicContact CD1-CG2 3.76Å; F433-V450 WeakPolarHBondContact CA-O 3.25Å; F434-V450 HydrophobicContact CD1-CB 3.82Å; F434-V450 HydrophobicContact CD1-CG1 4.18Å; F434-V450 HydrophobicContact CE1-CB 3.36Å; F434-V450 HydrophobicContact CE1-CG1 3.44Å; F434-V450 VanDerWaalsContact CE1-CG1 3.44Å; F434-V450 HydrophobicContact CE1-CG2 3.88Å; F434-V450 HydrophobicContact CE2-CB 4.31Å; F434-V450 HydrophobicContact CE2-CG2 4.07Å; F434-V450 HydrophobicContact CG-CB 4.46Å; F434-V450 HydrophobicContact CZ-CB 3.62Å; F434-V450 HydrophobicContact CZ-CG1 3.93Å; F434-V450 HydrophobicContact CZ-CG2 3.56Å; F434-V450 PolarHBondContact N-O 3.24Å; F434-V450 VanDerWaalsContact N-O 3.17Å; F434-V450 PolarHBondContact O-N 2.88Å; I448-V450 HydrophobicContact CG2-CG2 3.87Å
451	D	98.3	Very high	96.6	Very high	21 Å²	21	33.3 Å²	33.3	11%	0.112	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	108.9	165.5	-179.5	-31.4	0	0	0	108.6	S432 F433 T453 N454 K455 T456	S432-D451 CarbonylContact O-C 3.52Å; S432-D451 WeakPolarHBondContact O-CA 3.45Å; F433-D451 HydrophobicContact CD1-CB 4.09Å; F433-D451 HydrophobicContact CE1-CB 3.88Å; D451-T453 PolarHBondContact O-N 2.83Å; D451-T453 WeakPolarHBondContact OD1-CA 3.38Å; D451-T453 WeakPolarHBondContact OD1-CB 3.5Å; D451-T453 PolarHBondContact OD1-N 2.86Å; D451-N454 PolarHBondContact OD1-N 3.46Å; D451-N454 PolarHBondContact OD2-ND2 2.83Å; D451-K455 WeakPolarHBondContact O-CA 3.36Å; D451-K455 PolarHBondContact O-N 3.25Å; D451-T456 PolarHBondContact N-O 3.21Å
452	V	98	Very high	97	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.024	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.4	-175.3	-54.4	0	0	0	0	113.4	L405 Y431 S432 F434	L405-V452 HydrophobicContact CD1-CB 4.36Å; L405-V452 HydrophobicContact CD1-CG1 4.21Å; L405-V452 HydrophobicContact CD2-CB 4.48Å; Y431-V452 HydrophobicContact CE2-CG1 4.12Å; Y431-V452 HydrophobicContact CE2-CG2 4.44Å; S432-V452 PolarHBondContact O-N 2.9Å; F434-V452 HydrophobicContact CD1-CG1 3.56Å; F434-V452 HydrophobicContact CE1-CG1 3.81Å
453	T	96	Very high	97.1	Very high	94 Å²	94	41.6 Å²	41.6	58%	0.577	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-50.1	178.4	-55.6	0	0	0	0	110.1	D451	D451-T453 PolarHBondContact O-N 2.83Å; D451-T453 WeakPolarHBondContact OD1-CA 3.38Å; D451-T453 WeakPolarHBondContact OD1-CB 3.5Å; D451-T453 PolarHBondContact OD1-N 2.86Å
454	N	96.3	Very high	97.2	Very high	101 Å²	101	43 Å²	43	54%	0.54	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-10.4	-177.9	-60.6	-53	0	0	0	113.1	H407 D451 T456	H407-N454 PolarHBondContact NE2-O 3.11Å; D451-N454 PolarHBondContact OD1-N 3.46Å; D451-N454 PolarHBondContact OD2-ND2 2.83Å; N454-T456 HydrophobicContact CB-CG2 4.11Å; N454-T456 PolarHBondContact O-N 2.79Å
455	K	97.4	Very high	97.2	Very high	51 Å²	51	43.7 Å²	43.7	22%	0.222	22%	0.222	C	C	.	.			trans	61	22.5	-176.7	-56.5	177.5	178	118.4	0	113.7	E403 N404 H407 D451	E403-K455 WeakPolarHBondContact OE1-CE 3.49Å; E403-K455 IonicContact OE1-NZ 3.19Å; E403-K455 PolarHBondContact OE1-NZ 2.72Å; N404-K455 WeakPolarHBondContact O-CE 3.37Å; H407-K455 PolarHBondContact CD2-O 3.12Å; D451-K455 WeakPolarHBondContact O-CA 3.36Å; D451-K455 PolarHBondContact O-N 3.25Å
456	T	97.5	Very high	97.3	Very high	72 Å²	72	43.7 Å²	43.7	44%	0.442	22%	0.222	S	C	.	.			trans	-92	150.5	-180	57.4	0	0	0	0	111.5	D451 N454	D451-T456 PolarHBondContact N-O 3.21Å; N454-T456 HydrophobicContact CB-CG2 4.11Å; N454-T456 PolarHBondContact O-N 2.79Å
457	L	97.4	Very high	97.4	Very high	44 Å²	44	43.7 Å²	43.7	23%	0.23	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	153.8	178.1	51.4	85	0	0	0	113.5	D409 L410 I448 K449 V459	D409-L457 HydrophobicContact CB-CD2 4.09Å; D409-L457 WeakPolarHBondContact OD1-CD2 3.34Å; D409-L457 WeakPolarHBondContact OD2-CD2 3.43Å; D409-L457 VanDerWaalsContact OD2-CG 3.28Å; D409-L457 WeakPolarHBondContact OD2-CG 3.32Å; L410-L457 HydrophobicContact CB-CD2 4.02Å; L410-L457 HydrophobicContact CD1-CD2 4.09Å; I448-L457 HydrophobicContact CG2-CB 4.03Å; K449-L457 CarbonylContact O-C 3.58Å; K449-L457 VanDerWaalsContact O-CA 3.27Å; K449-L457 WeakPolarHBondContact O-CA 3.44Å; L457-V459 HydrophobicContact CD1-CG2 3.76Å
458	R	98	Very high	97.3	Very high	130 Å²	130	44.1 Å²	44.1	49%	0.491	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.1	162.1	-59.7	-174.9	-176.7	-146.4	0.3	108.3	I448 K449 S508 F509	I448-R458 CarbonylContact C-O 3.47Å; I448-R458 WeakPolarHBondContact CA-O 3.08Å; K449-R458 HydrophobicContact CB-CB 4.36Å; K449-R458 PolarHBondContact N-O 3.38Å; K449-R458 PolarHBondContact O-N 2.88Å; R458-S508 VanDerWaalsContact NH1-CA 3.35Å; R458-S508 PolarHBondContact NH1-O 3.06Å; R458-F509 HydrophobicContact CB-CB 3.93Å; R458-F509 HydrophobicContact CB-CD1 3.93Å; R458-F509 HydrophobicContact CB-CG 4.18Å; R458-F509 WeakPolarHBondContact O-CD1 3.34Å; R458-F509 WeakPolarHBondContact O-CE1 3.37Å
459	V	98.2	Very high	97.3	Very high	51 Å²	51	44.3 Å²	44.3	31%	0.309	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.6	-173.8	178.4	0	0	0	0	109.5	E413 L447 I448 L457 R461	E413-V459 HydrophobicContact CG-CG2 4.27Å; E413-V459 VanDerWaalsContact OE2-CG1 3.29Å; E413-V459 WeakPolarHBondContact OE2-CG1 3.11Å; L447-V459 WeakPolarHBondContact O-CA 3.36Å; I448-V459 HydrophobicContact CG1-CG2 4.36Å; I448-V459 HydrophobicContact CG2-CG2 4.44Å; L457-V459 HydrophobicContact CD1-CG2 3.76Å; V459-R461 HydrophobicContact CG1-CB 4.45Å
460	W	98.5	Very high	97.3	Very high	25 Å²	25	43.9 Å²	43.9	10%	0.095	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135	164.1	175.9	95.9	0	0	0	108.4	S446 L447 E462 P467 V490 F500 L502 L504 F509	S446-W460 CarbonylContact C-O 3.49Å; S446-W460 WeakPolarHBondContact CA-O 3.17Å; S446-W460 WeakPolarHBondContact CB-O 3.48Å; L447-W460 HydrophobicContact CB-CB 4.36Å; L447-W460 HydrophobicContact CB-CE3 4.39Å; L447-W460 HydrophobicContact CD1-CE3 4.11Å; L447-W460 HydrophobicContact CG-CE3 4.12Å; L447-W460 PolarHBondContact N-O 2.81Å; L447-W460 PolarHBondContact O-N 3.5Å; W460-E462 HydrophobicContact CH2-CB 3.98Å; W460-E462 HydrophobicContact CZ2-CB 4.02Å; W460-P467 HydrophobicContact CZ3-CB 4.22Å; W460-P467 HydrophobicContact CZ3-CG 4.21Å; W460-V490 HydrophobicContact CH2-CG1 4.09Å; W460-V490 HydrophobicContact CH2-CG2 4.03Å; W460-V490 HydrophobicContact CZ3-CG2 4.28Å; W460-F500 HydrophobicContact CH2-CZ 4.42Å; W460-L502 HydrophobicContact CD2-CD2 3.64Å; W460-L502 VanDerWaalsContact CE2-CD2 3.49Å; W460-L502 HydrophobicContact CE3-CD2 3.76Å; W460-L502 HydrophobicContact CG-CD2 4.41Å; W460-L502 HydrophobicContact CH2-CD2 3.71Å; W460-L502 HydrophobicContact CZ2-CD1 4.08Å; W460-L502 HydrophobicContact CZ2-CD2 3.55Å; W460-L502 HydrophobicContact CZ2-CG 4.45Å; W460-L502 HydrophobicContact CZ3-CD2 3.79Å; W460-L504 HydrophobicContact CB-CD1 3.8Å; W460-L504 HydrophobicContact CG-CD1 3.93Å; W460-L504 HydrophobicContact CG-CD2 4.06Å; W460-F509 HydrophobicContact CB-CD1 4.16Å; W460-F509 HydrophobicContact CB-CE1 3.9Å
461	R	97.5	Very high	97.3	Very high	76 Å²	76	44 Å²	44	29%	0.287	22%	0.224	S	C	.	.			trans	-155.5	144.3	-178.6	177.5	-177.7	-66.7	146.1	-3.4	110.4	E413 V459	E413-R461 IonicContact OE1-CZ 2.78Å; E413-R461 IonicContact OE1-NH1 3.26Å; E413-R461 PolarHBondContact OE1-NH1 2.73Å; E413-R461 IonicContact OE1-NH2 3.63Å; E413-R461 PolarHBondContact OE1-NH2 2.93Å; E413-R461 IonicContact OE2-CZ 2.89Å; E413-R461 IonicContact OE2-NH2 3.61Å; E413-R461 PolarHBondContact OE2-NH2 3.23Å; V459-R461 HydrophobicContact CG1-CB 4.45Å
462	E	96.3	Very high	97.3	Very high	58 Å²	58	43.9 Å²	43.9	27%	0.271	22%	0.223	S	C	.	.			trans	-136.2	124.8	169	-165.5	173.7	153.6	0	0	108.2	W460 G464 F465 R514	W460-E462 HydrophobicContact CH2-CB 3.98Å; W460-E462 HydrophobicContact CZ2-CB 4.02Å; E462-G464 PolarHBondContact O-N 3.27Å; E462-F465 HydrophobicContact CB-CB 4.16Å; E462-F465 HydrophobicContact CB-CD2 4.03Å; E462-F465 HydrophobicContact CB-CG 4.39Å; E462-F465 HydrophobicContact CG-CD2 3.62Å; E462-F465 HydrophobicContact CG-CE2 4.07Å; E462-F465 HydrophobicContact CG-CG 4.37Å; E462-F465 WeakPolarHBondContact O-CB 3.11Å; E462-F465 PolarHBondContact O-N 3.12Å; E462-F465 VanDerWaalsContact O-N 3.15Å; E462-F465 WeakPolarHBondContact OE1-CE2 3.44Å; E462-R514 IonicContact OE1-NH1 3.57Å; E462-R514 PolarHBondContact OE1-NH1 3.21Å; E462-R514 IonicContact OE2-CZ 3.28Å; E462-R514 VanDerWaalsContact OE2-CZ 3.28Å; E462-R514 IonicContact OE2-NH1 2.71Å; E462-R514 PolarHBondContact OE2-NH1 3.09Å; E462-R514 IonicContact OE2-NH2 2.75Å; E462-R514 PolarHBondContact OE2-NH2 3.09Å
463	E	93.3	Very high	97.4	Very high	131 Å²	131	44.1 Å²	44.1	61%	0.612	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	132.7	-174.1	-71.6	-61.6	147.4	0	0	111.5	R440 F465	R440-E463 IonicContact NH2-OE1 2.67Å; E463-F465 VanDerWaalsContact C-N 3.3Å; E463-F465 WeakPolarHBondContact O-CD2 3.24Å
464	G	94.2	Very high	97.5	Very high	30 Å²	30	42.3 Å²	42.3	31%	0.309	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	7.3	-175.9	0	0	0	0	0	115	E462 T492 P493	E462-G464 PolarHBondContact O-N 3.27Å; G464-T492 WeakPolarHBondContact O-CB 3.44Å; G464-T492 PolarHBondContact O-OG1 2.86Å; G464-P493 WeakPolarHBondContact O-CD 3.25Å
465	F	96.7	Very high	97.5	Very high	15 Å²	15	40 Å²	40	7%	0.066	20%	0.203	C	C	.	.			trans	-121.7	143.5	177.6	-70.8	-87.7	0	0	0	111.5	E462 E463 V490 I491 T492 E497 F500	E462-F465 HydrophobicContact CB-CB 4.16Å; E462-F465 HydrophobicContact CB-CD2 4.03Å; E462-F465 HydrophobicContact CB-CG 4.39Å; E462-F465 HydrophobicContact CG-CD2 3.62Å; E462-F465 HydrophobicContact CG-CE2 4.07Å; E462-F465 HydrophobicContact CG-CG 4.37Å; E462-F465 WeakPolarHBondContact O-CB 3.11Å; E462-F465 PolarHBondContact O-N 3.12Å; E462-F465 VanDerWaalsContact O-N 3.15Å; E462-F465 WeakPolarHBondContact OE1-CE2 3.44Å; E463-F465 VanDerWaalsContact C-N 3.3Å; E463-F465 WeakPolarHBondContact O-CD2 3.24Å; F465-V490 HydrophobicContact CB-CG1 3.58Å; F465-V490 HydrophobicContact CD1-CG1 3.96Å; F465-V490 HydrophobicContact CG-CG1 4.19Å; F465-I491 WeakPolarHBondContact CA-O 3.4Å; F465-T492 HydrophobicContact CD1-CG2 4.28Å; F465-T492 HydrophobicContact CE1-CG2 3.85Å; F465-E497 HydrophobicContact CE1-CB 4.41Å; F465-E497 HydrophobicContact CZ-CB 4.12Å; F465-E497 HydrophobicContact CZ-CG 4.19Å; F465-F500 AromaticContact CD1-CE1 3.56Å; F465-F500 HydrophobicContact CD1-CE1 3.56Å; F465-F500 HydrophobicContact CD1-CZ 4.12Å; F465-F500 HydrophobicContact CE1-CD1 4.28Å; F465-F500 AromaticContact CE1-CE1 3.52Å; F465-F500 HydrophobicContact CE1-CE1 3.52Å; F465-F500 HydrophobicContact CE1-CZ 4.44Å; F465-F500 HydrophobicContact CG-CE1 4.4Å; F465-F500 HydrophobicContact CZ-CE1 4.32Å
466	Y	97.8	Very high	97.4	Very high	4 Å²	4	42 Å²	42	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	99.8	-167.6	-60.1	-90.1	0	0	0	109.3	I11 L14 H441 V443 G444 D445 I491 P493	I11-Y466 HydrophobicContact CG2-CE1 3.82Å; L14-Y466 HydrophobicContact CD1-CD1 3.92Å; L14-Y466 HydrophobicContact CD1-CD2 3.47Å; L14-Y466 VanDerWaalsContact CD1-CD2 3.47Å; L14-Y466 HydrophobicContact CD1-CE1 4.29Å; L14-Y466 HydrophobicContact CD1-CE2 3.92Å; L14-Y466 HydrophobicContact CD1-CG 3.46Å; L14-Y466 VanDerWaalsContact CD1-CG 3.46Å; L14-Y466 HydrophobicContact CD2-CD2 4.34Å; L14-Y466 HydrophobicContact CG-CD2 4.46Å; H441-Y466 HydrophobicContact CB-CE1 3.96Å; V443-Y466 HydrophobicContact CG2-CD1 3.7Å; V443-Y466 HydrophobicContact CG2-CE1 4.22Å; V443-Y466 HydrophobicContact CG2-CG 4.5Å; G444-Y466 WeakPolarHBondContact O-CA 3.48Å; G444-Y466 WeakPolarHBondContact O-CB 3.13Å; D445-Y466 HydrophobicContact CB-CD1 4.2Å; D445-Y466 HydrophobicContact CB-CE1 4.43Å; Y466-I491 PolarHBondContact N-O 2.7Å; Y466-I491 WeakPolarHBondContact O-CG1 3.47Å; Y466-I491 PolarHBondContact O-N 3.03Å; Y466-P493 HydrophobicContact CE2-CG 4.04Å
467	P	98.4	Very high	97.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	144.3	-177.9	30.4	-34.8	0	0	0	112.3	L447 W460 S488 V489 V490 Y523	L447-P467 HydrophobicContact CD1-CB 4.18Å; L447-P467 HydrophobicContact CD2-CB 3.68Å; L447-P467 HydrophobicContact CD2-CG 3.92Å; L447-P467 HydrophobicContact CG-CB 3.71Å; L447-P467 HydrophobicContact CG-CG 3.86Å; W460-P467 HydrophobicContact CZ3-CB 4.22Å; W460-P467 HydrophobicContact CZ3-CG 4.21Å; P467-S488 WeakPolarHBondContact CB-OG 3.5Å; P467-V489 CarbonylContact C-O 3.5Å; P467-V490 HydrophobicContact CB-CG2 4.1Å; P467-Y523 PolarHBondContact O-OH 3.08Å
468	S	98.2	Very high	97	Very high	8 Å²	8	41.5 Å²	41.5	6%	0.056	24%	0.239	C	C	.	.			trans	-75.4	174.4	167	77.4	0	0	0	0	112.1	C437 S488 V489	C437-S468 VanDerWaalsContact SG-C 3.56Å; C437-S468 PolarHBondContact SG-O 2.83Å; C437-S468 VanDerWaalsContact SG-O 3.39Å; S468-S488 PolarHBondContact N-OG 3.03Å; S468-S488 VanDerWaalsContact N-OG 3.14Å; S468-S488 PolarHBondContact O-OG 3.32Å; S468-V489 WeakPolarHBondContact CB-O 3.5Å; S468-V489 PolarHBondContact N-O 2.71Å; S468-V489 PolarHBondContact OG-N 3.39Å; S468-V489 PolarHBondContact OG-O 3.45Å
469	E	98.6	Very high	96.8	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.019	25%	0.251	C	S	.	.			trans	-41.3	129.2	169.2	174	-177.2	-117.4	0	0	112.1	R43 F418 Q420 V471 H526 G527	R43-E469 IonicContact NH1-OE2 2.76Å; R43-E469 PolarHBondContact NH1-OE2 3.13Å; F418-E469 HydrophobicContact CB-CB 3.86Å; F418-E469 HydrophobicContact CB-CG 3.95Å; F418-E469 HydrophobicContact CD1-CB 4.29Å; F418-E469 HydrophobicContact CG-CB 4.16Å; Q420-E469 HydrophobicContact CG-CG 3.76Å; Q420-E469 PolarHBondContact NE2-OE1 2.79Å; E469-V471 PolarHBondContact O-N 2.94Å; E469-H526 IonicContact OE1-CE1 3.62Å; E469-H526 IonicContact OE1-CG 3.54Å; E469-H526 IonicContact OE1-ND1 2.85Å; E469-H526 PolarHBondContact OE1-ND1 2.78Å; E469-H526 VanDerWaalsContact OE2-CA 3.23Å; E469-H526 WeakPolarHBondContact OE2-CA 3.47Å; E469-H526 IonicContact OE2-ND1 3.69Å; E469-G527 PolarHBondContact OE2-N 3.02Å
470	P	98.6	Very high	96.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.257	C	S	.	.			trans	-79.3	105.8	179.8	27.8	-31.3	0	0	0	112.2	Q420 L447 I486	Q420-P470 WeakPolarHBondContact CB-O 3.41Å; Q420-P470 WeakPolarHBondContact CG-O 3.38Å; L447-P470 HydrophobicContact CD2-CB 3.92Å; L447-P470 HydrophobicContact CD2-CG 4.11Å; P470-I486 HydrophobicContact CB-CG2 3.28Å
471	V	98.7	Very high	96.7	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.1	178.1	179.8	0	0	0	0	110.3	L41 E469 L487 F529	L41-V471 HydrophobicContact CD1-CB 4.02Å; L41-V471 HydrophobicContact CD1-CG1 4.29Å; L41-V471 HydrophobicContact CD1-CG2 3.84Å; E469-V471 PolarHBondContact O-N 2.94Å; V471-L487 HydrophobicContact CB-CB 4.5Å; V471-L487 PolarHBondContact N-O 2.8Å; V471-L487 PolarHBondContact O-N 2.86Å; V471-F529 HydrophobicContact CG1-CB 3.92Å
472	F	98.7	Very high	96.7	Very high	18 Å²	18	40.5 Å²	40.5	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.8	175.8	179.2	-86.3	0	0	0	111.8	N422 Y435 P474 E481 V485 I486 A506	N422-F472 HydrophobicContact CB-CD1 3.78Å; N422-F472 HydrophobicContact CB-CE1 3.49Å; N422-F472 VanDerWaalsContact CB-CE1 3.49Å; N422-F472 HydrophobicContact CB-CG 4.47Å; N422-F472 HydrophobicContact CB-CZ 3.96Å; N422-F472 WeakPolarHBondContact ND2-CE1 3.5Å; Y435-F472 HydrophobicContact CD2-CB 4.31Å; Y435-F472 HydrophobicContact CD2-CD2 4.3Å; Y435-F472 HydrophobicContact CE2-CB 4.21Å; Y435-F472 AromaticContact CE2-CD2 3.46Å; Y435-F472 HydrophobicContact CE2-CD2 3.46Å; Y435-F472 VanDerWaalsContact CE2-CD2 3.46Å; Y435-F472 HydrophobicContact CE2-CE2 4.17Å; Y435-F472 HydrophobicContact CE2-CG 4.11Å; Y435-F472 AromaticContact CZ-CD2 3.75Å; F472-P474 HydrophobicContact CE1-CB 3.8Å; F472-P474 HydrophobicContact CE1-CG 4.34Å; F472-P474 HydrophobicContact CZ-CB 4.4Å; F472-E481 WeakPolarHBondContact CZ-O 3.35Å; F472-V485 WeakPolarHBondContact CA-O 3.28Å; F472-I486 HydrophobicContact CB-CD1 3.85Å; F472-I486 HydrophobicContact CD2-CD1 3.74Å; F472-I486 HydrophobicContact CG-CD1 4.27Å; F472-A506 HydrophobicContact CD2-CB 3.92Å; F472-A506 HydrophobicContact CE2-CB 3.63Å
473	V	98.5	Very high	96.8	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.3	173.2	-170.7	0	0	0	0	109.4	W36 L37 G484 V485 L487 F529	W36-V473 HydrophobicContact CZ3-CG1 3.97Å; L37-V473 HydrophobicContact CD1-CB 4.19Å; L37-V473 HydrophobicContact CD1-CG1 3.84Å; L37-V473 HydrophobicContact CD1-CG2 4.36Å; V473-G484 CarbonylContact O-C 3.52Å; V473-G484 WeakPolarHBondContact O-CA 3.45Å; V473-V485 HydrophobicContact CB-CG2 4Å; V473-V485 PolarHBondContact N-O 2.74Å; V473-V485 PolarHBondContact O-N 3.47Å; V473-L487 HydrophobicContact CG2-CD1 3.7Å; V473-L487 HydrophobicContact CG2-CG 4.02Å; V473-F529 HydrophobicContact CB-CD1 4.44Å; V473-F529 HydrophobicContact CG1-CD1 3.69Å; V473-F529 HydrophobicContact CG1-CE1 3.68Å; V473-F529 HydrophobicContact CG1-CG 4.28Å; V473-F529 HydrophobicContact CG1-CZ 4.26Å; V473-F529 HydrophobicContact CG2-CB 3.71Å; V473-F529 HydrophobicContact CG2-CD1 3.81Å; V473-F529 HydrophobicContact CG2-CD2 3.95Å; V473-F529 HydrophobicContact CG2-CE1 4.42Å; V473-F529 HydrophobicContact CG2-CG 3.54Å
474	P	97.7	Very high	97	Very high	56 Å²	56	33 Å²	33	36%	0.364	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	147.4	-178.7	26.6	-32.4	0	0	0	111.7	W36 F472	W36-P474 WeakPolarHBondContact CZ3-O 3.24Å; F472-P474 HydrophobicContact CE1-CB 3.8Å; F472-P474 HydrophobicContact CE1-CG 4.34Å; F472-P474 HydrophobicContact CZ-CB 4.4Å
475	V	97.5	Very high	97.3	Very high	52 Å²	52	31.6 Å²	31.6	32%	0.315	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-63.9	130.4	163.4	177.1	0	0	0	0	108	W36 G477 A478 S483	W36-V475 HydrophobicContact CH2-CG2 4.19Å; W36-V475 HydrophobicContact CZ2-CB 4.44Å; W36-V475 HydrophobicContact CZ2-CG2 3.67Å; V475-G477 PolarHBondContact O-N 2.91Å; V475-A478 HydrophobicContact CB-CB 3.86Å; V475-A478 HydrophobicContact CG1-CB 4.31Å; V475-A478 WeakPolarHBondContact O-CB 3.16Å; V475-A478 PolarHBondContact O-N 2.77Å; V475-A478 VanDerWaalsContact O-N 3.13Å; V475-S483 PolarHBondContact N-O 3.47Å
476	P	95.4	Very high	97.4	Very high	93 Å²	93	31 Å²	31	60%	0.604	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	124.1	177.4	-27.9	35.1	0	0	0	112	W36 A478	W36-P476 HydrophobicContact CB-CG 4.45Å; W36-P476 VanDerWaalsContact CE3-CD 3.5Å; W36-P476 HydrophobicContact CE3-CG 4.17Å; P476-A478 VanDerWaalsContact C-N 3.3Å; P476-A478 PolarHBondContact O-N 3.24Å
477	G	93.9	Very high	97.4	Very high	81 Å²	81	30.8 Å²	30.8	84%	0.835	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	4.9	177.4	0	0	0	0	0	116	V475	V475-G477 PolarHBondContact O-N 2.91Å
478	A	93.2	Very high	97.4	Very high	25 Å²	25	30.8 Å²	30.8	21%	0.207	20%	0.197	C	C	.	.			trans	-75.6	143.6	177.3	0	0	0	0	0	112.9	R425 V475 P476 S483	R425-A478 PolarHBondContact NH1-O 2.78Å; V475-A478 HydrophobicContact CB-CB 3.86Å; V475-A478 HydrophobicContact CG1-CB 4.31Å; V475-A478 WeakPolarHBondContact O-CB 3.16Å; V475-A478 PolarHBondContact O-N 2.77Å; V475-A478 VanDerWaalsContact O-N 3.13Å; P476-A478 VanDerWaalsContact C-N 3.3Å; P476-A478 PolarHBondContact O-N 3.24Å; A478-S483 VanDerWaalsContact CB-CB 3.46Å
479	D	92	Very high	97.4	Very high	138 Å²	138	31 Å²	31	74%	0.738	20%	0.197	S	C	*	.			trans	-92.6	-34.3	-177.1	-73.7	-38.1	0	0	0	113.6	R425	R425-D479 VanDerWaalsContact NH1-C 3.32Å; R425-D479 PolarHBondContact NH1-O 3.16Å; R425-D479 PolarHBondContact NH2-O 3.06Å
480	E	97	Very high	97.4	Very high	94 Å²	94	30.8 Å²	30.8	44%	0.439	20%	0.197	S	C	.	.	S	Bend	trans	-68.2	150.9	-179.3	-53.2	-179.8	162.6	0	0	111.8	R425 S483 K507	R425-E480 PolarHBondContact NH1-O 3.44Å; E480-S483 WeakPolarHBondContact CB-OG 3.06Å; E480-S483 PolarHBondContact O-N 2.93Å; E480-S483 PolarHBondContact OE2-OG 3.01Å; E480-K507 VanDerWaalsContact CD-NZ 3.32Å; E480-K507 IonicContact OE1-NZ 2.89Å; E480-K507 PolarHBondContact OE1-NZ 2.97Å; E480-K507 VanDerWaalsContact OE1-NZ 3.16Å; E480-K507 IonicContact OE2-NZ 2.95Å; E480-K507 PolarHBondContact OE2-NZ 2.98Å
481	E	98.1	Very high	97.4	Very high	17 Å²	17	31.1 Å²	31.1	8%	0.079	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-41.2	-175.6	-178.6	176.3	159.4	0	0	113	N422 F426 Y431 S432 F433 F472	N422-E481 PolarHBondContact ND2-O 3.06Å; F426-E481 HydrophobicContact CD1-CG 4.19Å; F426-E481 HydrophobicContact CD2-CB 4.44Å; F426-E481 HydrophobicContact CD2-CG 3.82Å; F426-E481 HydrophobicContact CE1-CB 4.15Å; F426-E481 HydrophobicContact CE1-CG 4.02Å; F426-E481 HydrophobicContact CE2-CB 3.77Å; F426-E481 HydrophobicContact CE2-CG 3.66Å; F426-E481 HydrophobicContact CG-CG 4.1Å; F426-E481 HydrophobicContact CZ-CB 3.59Å; F426-E481 HydrophobicContact CZ-CG 3.75Å; Y431-E481 WeakPolarHBondContact CB-OE1 3.15Å; S432-E481 VanDerWaalsContact CB-OE2 3.28Å; S432-E481 WeakPolarHBondContact CB-OE2 3.5Å; S432-E481 PolarHBondContact N-OE1 2.82Å; S432-E481 PolarHBondContact N-OE2 2.75Å; S432-E481 PolarHBondContact OG-OE2 2.96Å; F433-E481 HydrophobicContact CD2-CB 4.2Å; F433-E481 HydrophobicContact CD2-CG 4.07Å; F433-E481 PolarHBondContact N-OE1 2.69Å; F472-E481 WeakPolarHBondContact CZ-O 3.35Å
482	D	98.3	Very high	97.2	Very high	13 Å²	13	31.1 Å²	31.1	7%	0.07	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	14.6	-177.7	64.5	-16.7	0	0	0	113.5	F433 Y435 K449 G484 A506 K507	F433-D482 HydrophobicContact CD2-CB 3.76Å; F433-D482 HydrophobicContact CE2-CB 4.05Å; F433-D482 HydrophobicContact CG-CB 4.38Å; Y435-D482 WeakPolarHBondContact OH-CB 3.4Å; K449-D482 IonicContact NZ-OD2 2.66Å; K449-D482 PolarHBondContact NZ-OD2 3.3Å; D482-G484 PolarHBondContact O-N 2.81Å; D482-G484 VanDerWaalsContact O-N 3.07Å; D482-A506 WeakPolarHBondContact O-CB 3.4Å; D482-K507 PolarHBondContact O-N 2.83Å; D482-K507 WeakPolarHBondContact OD2-CA 3.37Å
483	S	98.1	Very high	96.9	Very high	28 Å²	28	31.9 Å²	31.9	20%	0.196	21%	0.205	C	C	.	.			trans	-75.5	91.8	168.7	-83.2	0	0	0	0	110.5	V475 A478 E480	V475-S483 PolarHBondContact N-O 3.47Å; A478-S483 VanDerWaalsContact CB-CB 3.46Å; E480-S483 WeakPolarHBondContact CB-OG 3.06Å; E480-S483 PolarHBondContact O-N 2.93Å; E480-S483 PolarHBondContact OE2-OG 3.01Å
484	G	98.4	Very high	96.6	Very high	2 Å²	2	35 Å²	35	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	-170.5	-174.6	0	0	0	0	0	112.2	V473 D482 A506	V473-G484 CarbonylContact O-C 3.52Å; V473-G484 WeakPolarHBondContact O-CA 3.45Å; D482-G484 PolarHBondContact O-N 2.81Å; D482-G484 VanDerWaalsContact O-N 3.07Å; G484-A506 VanDerWaalsContact O-CB 3.28Å; G484-A506 WeakPolarHBondContact O-CB 3.32Å; G484-A506 PolarHBondContact O-N 2.97Å
485	V	98.8	Very high	96.1	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	156.5	167.6	-61.8	0	0	0	0	110.7	P34 W36 L37 F472 V473 L487 V503 L504 L512	P34-V485 HydrophobicContact CG-CG1 4.22Å; W36-V485 HydrophobicContact CH2-CB 4.46Å; W36-V485 HydrophobicContact CH2-CG1 4.06Å; W36-V485 HydrophobicContact CH2-CG2 3.82Å; W36-V485 HydrophobicContact CZ2-CG1 3.81Å; W36-V485 HydrophobicContact CZ2-CG2 4.4Å; L37-V485 HydrophobicContact CD1-CG2 4.13Å; F472-V485 WeakPolarHBondContact CA-O 3.28Å; V473-V485 HydrophobicContact CB-CG2 4Å; V473-V485 PolarHBondContact N-O 2.74Å; V473-V485 PolarHBondContact O-N 3.47Å; V485-L487 HydrophobicContact CG2-CD2 3.9Å; V485-L487 HydrophobicContact CG2-CG 4.34Å; V485-V503 HydrophobicContact CB-CG1 3.85Å; V485-V503 HydrophobicContact CG1-CG1 3.89Å; V485-V503 HydrophobicContact CG2-CG1 4.24Å; V485-L504 CarbonylContact C-O 3.6Å; V485-L504 WeakPolarHBondContact CA-O 3.23Å; V485-L504 WeakPolarHBondContact CB-O 3.46Å; V485-L512 HydrophobicContact CG1-CD1 3.81Å
486	I	98.8	Very high	95.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.9	165.3	-59.7	-56.8	0	0	0	108.6	Y435 P470 F472 V503 L504 A506 F509	Y435-I486 HydrophobicContact CD1-CD1 3.58Å; Y435-I486 HydrophobicContact CD1-CG1 3.86Å; Y435-I486 HydrophobicContact CD2-CD1 3.65Å; Y435-I486 HydrophobicContact CE1-CD1 3.75Å; Y435-I486 HydrophobicContact CE1-CG1 4.02Å; Y435-I486 HydrophobicContact CE2-CD1 3.85Å; Y435-I486 HydrophobicContact CG-CD1 3.52Å; Y435-I486 HydrophobicContact CG-CG1 4.25Å; P470-I486 HydrophobicContact CB-CG2 3.28Å; F472-I486 HydrophobicContact CB-CD1 3.85Å; F472-I486 HydrophobicContact CD2-CD1 3.74Å; F472-I486 HydrophobicContact CG-CD1 4.27Å; I486-V503 WeakPolarHBondContact O-CA 3.32Å; I486-L504 HydrophobicContact CB-CB 4.21Å; I486-L504 PolarHBondContact N-O 2.81Å; I486-L504 PolarHBondContact O-N 3.5Å; I486-A506 HydrophobicContact CD1-CB 4.2Å; I486-A506 HydrophobicContact CG1-CB 4.03Å; I486-F509 HydrophobicContact CG1-CE2 4.19Å
487	L	98.8	Very high	95.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.6	172.8	-54.4	-175.9	0	0	0	109.6	L37 L41 M71 V471 V473 V485 L501 L502 V503 F529	L37-L487 HydrophobicContact CD1-CD1 4.38Å; L37-L487 HydrophobicContact CD2-CD1 4.4Å; L37-L487 HydrophobicContact CD2-CD2 3.8Å; L41-L487 HydrophobicContact CB-CD1 4.37Å; L41-L487 HydrophobicContact CD1-CB 4.43Å; L41-L487 HydrophobicContact CD1-CD1 4.49Å; L41-L487 HydrophobicContact CD2-CB 4.16Å; M71-L487 HydrophobicContact CE-CD1 4.3Å; M71-L487 HydrophobicContact SD-CD1 3.99Å; V471-L487 HydrophobicContact CB-CB 4.5Å; V471-L487 PolarHBondContact N-O 2.8Å; V471-L487 PolarHBondContact O-N 2.86Å; V473-L487 HydrophobicContact CG2-CD1 3.7Å; V473-L487 HydrophobicContact CG2-CG 4.02Å; V485-L487 HydrophobicContact CG2-CD2 3.9Å; V485-L487 HydrophobicContact CG2-CG 4.34Å; L487-L501 HydrophobicContact CB-CD1 4.24Å; L487-L502 WeakPolarHBondContact CA-O 3.34Å; L487-V503 HydrophobicContact CD2-CB 4.38Å; L487-V503 HydrophobicContact CD2-CG1 4.13Å; L487-V503 HydrophobicContact CD2-CG2 3.79Å; L487-F529 HydrophobicContact CD1-CD2 3.64Å; L487-F529 HydrophobicContact CD1-CE2 4.1Å; L487-F529 HydrophobicContact CD1-CG 4.44Å
488	S	98.8	Very high	95.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138.1	173.3	178.5	0	0	0	0	110.3	P467 S468 L502	P467-S488 WeakPolarHBondContact CB-OG 3.5Å; S468-S488 PolarHBondContact N-OG 3.03Å; S468-S488 VanDerWaalsContact N-OG 3.14Å; S468-S488 PolarHBondContact O-OG 3.32Å; S488-L502 PolarHBondContact N-O 3.32Å; S488-L502 WeakPolarHBondContact O-CB 3.31Å; S488-L502 PolarHBondContact O-N 2.76Å
489	V	98.4	Very high	95.9	Very high	12 Å²	12	39.4 Å²	39.4	7%	0.073	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.9	172.6	-177.4	0	0	0	0	107.7	L41 R43 F69 P467 S468 I491 M521	L41-V489 HydrophobicContact CD2-CG2 3.96Å; R43-V489 HydrophobicContact CG-CG2 4.14Å; F69-V489 HydrophobicContact CD2-CG2 4.02Å; F69-V489 HydrophobicContact CE2-CB 4.4Å; F69-V489 HydrophobicContact CE2-CG1 4.04Å; F69-V489 HydrophobicContact CE2-CG2 3.42Å; F69-V489 VanDerWaalsContact CE2-CG2 3.42Å; F69-V489 HydrophobicContact CZ-CG1 3.93Å; F69-V489 HydrophobicContact CZ-CG2 3.98Å; P467-V489 CarbonylContact C-O 3.5Å; S468-V489 WeakPolarHBondContact CB-O 3.5Å; S468-V489 PolarHBondContact N-O 2.71Å; S468-V489 PolarHBondContact OG-N 3.39Å; S468-V489 PolarHBondContact OG-O 3.45Å; V489-I491 HydrophobicContact CG1-CG2 4.18Å; V489-M521 HydrophobicContact CG1-SD 3.77Å
490	V	98.3	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.9	-178	-171.9	0	0	0	0	109	W460 F465 P467 N499 F500 L502	W460-V490 HydrophobicContact CH2-CG1 4.09Å; W460-V490 HydrophobicContact CH2-CG2 4.03Å; W460-V490 HydrophobicContact CZ3-CG2 4.28Å; F465-V490 HydrophobicContact CB-CG1 3.58Å; F465-V490 HydrophobicContact CD1-CG1 3.96Å; F465-V490 HydrophobicContact CG-CG1 4.19Å; P467-V490 HydrophobicContact CB-CG2 4.1Å; V490-N499 WeakPolarHBondContact O-CA 3.4Å; V490-F500 HydrophobicContact CB-CD1 4.5Å; V490-F500 HydrophobicContact CB-CD2 3.83Å; V490-F500 HydrophobicContact CB-CE1 4.17Å; V490-F500 HydrophobicContact CB-CE2 3.45Å; V490-F500 VanDerWaalsContact CB-CE2 3.45Å; V490-F500 HydrophobicContact CB-CG 4.35Å; V490-F500 HydrophobicContact CB-CZ 3.63Å; V490-F500 HydrophobicContact CG1-CE1 4.1Å; V490-F500 HydrophobicContact CG1-CE2 3.91Å; V490-F500 HydrophobicContact CG1-CZ 3.58Å; V490-F500 HydrophobicContact CG2-CD2 4.02Å; V490-F500 HydrophobicContact CG2-CE2 3.51Å; V490-F500 HydrophobicContact CG2-CZ 4.07Å; V490-F500 PolarHBondContact N-O 2.88Å; V490-F500 PolarHBondContact O-N 3.29Å; V490-L502 HydrophobicContact CG2-CB 3.68Å; V490-L502 HydrophobicContact CG2-CD2 4.02Å; V490-L502 HydrophobicContact CG2-CG 4.49Å
491	I	97.3	Very high	96.3	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.036	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	156.6	-177.9	67.8	174.2	0	0	0	111.7	L14 F465 Y466 V489 N499 M521 Y523	L14-I491 HydrophobicContact CB-CD1 4.19Å; L14-I491 HydrophobicContact CD1-CD1 4.5Å; L14-I491 HydrophobicContact CD2-CD1 3.78Å; L14-I491 HydrophobicContact CD2-CG1 3.9Å; L14-I491 HydrophobicContact CG-CD1 4.37Å; F465-I491 WeakPolarHBondContact CA-O 3.4Å; Y466-I491 PolarHBondContact N-O 2.7Å; Y466-I491 WeakPolarHBondContact O-CG1 3.47Å; Y466-I491 PolarHBondContact O-N 3.03Å; V489-I491 HydrophobicContact CG1-CG2 4.18Å; I491-N499 WeakPolarHBondContact CA-OD1 3.49Å; I491-N499 HydrophobicContact CG2-CB 4.43Å; I491-M521 HydrophobicContact CG2-CB 3.81Å; I491-Y523 HydrophobicContact CD1-CD2 3.81Å; I491-Y523 HydrophobicContact CD1-CG 4.15Å; I491-Y523 HydrophobicContact CG1-CD2 4.28Å
492	T	95.6	Very high	96.3	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.031	16%	0.156	C	C	.	.			trans	-136	141.4	178.7	-178.1	0	0	0	0	111.3	G464 F465 N494 E497 N499	G464-T492 WeakPolarHBondContact O-CB 3.44Å; G464-T492 PolarHBondContact O-OG1 2.86Å; F465-T492 HydrophobicContact CD1-CG2 4.28Å; F465-T492 HydrophobicContact CE1-CG2 3.85Å; T492-N494 PolarHBondContact O-N 2.86Å; T492-N494 PolarHBondContact OG1-N 3.22Å; T492-E497 HydrophobicContact CG2-CB 3.68Å; T492-N499 PolarHBondContact N-OD1 2.9Å
493	P	93.1	Very high	96.3	Very high	35 Å²	35	27.1 Å²	27.1	23%	0.227	15%	0.152	C	C	.	.	S	Bend	trans	-73.9	-10.7	171.9	32.2	-34.9	0	0	0	112.1	P13 L14 G464 Y466 Q495	P13-P493 HydrophobicContact CB-CB 3.8Å; P13-P493 HydrophobicContact CG-CB 3.86Å; L14-P493 HydrophobicContact CD2-CB 4.13Å; G464-P493 WeakPolarHBondContact O-CD 3.25Å; Y466-P493 HydrophobicContact CE2-CG 4.04Å; P493-Q495 PolarHBondContact O-N 2.87Å
494	N	92.3	Very high	96.3	Very high	73 Å²	73	25.8 Å²	25.8	39%	0.39	14%	0.143	S	C	.	.			trans	-81.8	108	179.9	-178.2	2.3	0	0	0	110.9	T492 S496 E497	T492-N494 PolarHBondContact O-N 2.86Å; T492-N494 PolarHBondContact OG1-N 3.22Å; N494-S496 PolarHBondContact ND2-OG 3.4Å; N494-S496 VanDerWaalsContact ND2-OG 3.1Å; N494-S496 PolarHBondContact O-N 2.81Å; N494-S496 VanDerWaalsContact O-N 3.07Å; N494-S496 PolarHBondContact OD1-N 2.86Å; N494-S496 PolarHBondContact OD1-OG 3.34Å; N494-E497 HydrophobicContact CB-CB 4.38Å; N494-E497 HydrophobicContact CB-CG 4.3Å; N494-E497 WeakPolarHBondContact ND2-CG 3.4Å; N494-E497 PolarHBondContact O-N 2.93Å
495	Q	86.6	Confident	96.4	Very high	167 Å²	167	27.8 Å²	27.8	78%	0.78	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.3	-178.9	-62.9	-176.3	-1.2	0	0	114.9	P493	P493-Q495 PolarHBondContact O-N 2.87Å
496	S	90.2	Very high	96.4	Very high	97 Å²	97	27.7 Å²	27.7	68%	0.678	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.4	174	63.8	0	0	0	0	113.9	N494	N494-S496 PolarHBondContact ND2-OG 3.4Å; N494-S496 VanDerWaalsContact ND2-OG 3.1Å; N494-S496 PolarHBondContact O-N 2.81Å; N494-S496 VanDerWaalsContact O-N 3.07Å; N494-S496 PolarHBondContact OD1-N 2.86Å; N494-S496 PolarHBondContact OD1-OG 3.34Å
497	E	92.9	Very high	96.3	Very high	93 Å²	93	32 Å²	32	44%	0.435	17%	0.172	S	C	.	.	S	Bend	trans	-103.3	153	178.9	-69.1	-75.2	143.5	0	0	109.8	F465 T492 N494	F465-E497 HydrophobicContact CE1-CB 4.41Å; F465-E497 HydrophobicContact CZ-CB 4.12Å; F465-E497 HydrophobicContact CZ-CG 4.19Å; T492-E497 HydrophobicContact CG2-CB 3.68Å; N494-E497 HydrophobicContact CB-CB 4.38Å; N494-E497 HydrophobicContact CB-CG 4.3Å; N494-E497 WeakPolarHBondContact ND2-CG 3.4Å; N494-E497 PolarHBondContact O-N 2.93Å
498	S	95	Very high	96.3	Very high	41 Å²	41	33.8 Å²	33.8	29%	0.287	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-92.1	141	177.3	-64.2	0	0	0	0	110.6	F500	S498-F500 WeakPolarHBondContact O-CD1 3.39Å
499	N	97	Very high	96.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	153.8	162.5	-62.1	-35	0	0	0	108.6	V490 I491 T492 V517 V519 M521	V490-N499 WeakPolarHBondContact O-CA 3.4Å; I491-N499 WeakPolarHBondContact CA-OD1 3.49Å; I491-N499 HydrophobicContact CG2-CB 4.43Å; T492-N499 PolarHBondContact N-OD1 2.9Å; N499-V517 HydrophobicContact CB-CG2 4.28Å; N499-V517 VanDerWaalsContact O-CG2 3.28Å; N499-V517 WeakPolarHBondContact O-CG2 3.19Å; N499-V517 PolarHBondContact O-N 3.18Å; N499-V519 PolarHBondContact ND2-O 3.37Å; N499-M521 PolarHBondContact ND2-N 3.2Å
500	F	98.1	Very high	96.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.2	-178.6	55.6	-95.5	0	0	0	113.2	W460 F465 V490 S498 L502 R514 A515 E516	W460-F500 HydrophobicContact CH2-CZ 4.42Å; F465-F500 AromaticContact CD1-CE1 3.56Å; F465-F500 HydrophobicContact CD1-CE1 3.56Å; F465-F500 HydrophobicContact CD1-CZ 4.12Å; F465-F500 HydrophobicContact CE1-CD1 4.28Å; F465-F500 AromaticContact CE1-CE1 3.52Å; F465-F500 HydrophobicContact CE1-CE1 3.52Å; F465-F500 HydrophobicContact CE1-CZ 4.44Å; F465-F500 HydrophobicContact CG-CE1 4.4Å; F465-F500 HydrophobicContact CZ-CE1 4.32Å; V490-F500 HydrophobicContact CB-CD1 4.5Å; V490-F500 HydrophobicContact CB-CD2 3.83Å; V490-F500 HydrophobicContact CB-CE1 4.17Å; V490-F500 HydrophobicContact CB-CE2 3.45Å; V490-F500 VanDerWaalsContact CB-CE2 3.45Å; V490-F500 HydrophobicContact CB-CG 4.35Å; V490-F500 HydrophobicContact CB-CZ 3.63Å; V490-F500 HydrophobicContact CG1-CE1 4.1Å; V490-F500 HydrophobicContact CG1-CE2 3.91Å; V490-F500 HydrophobicContact CG1-CZ 3.58Å; V490-F500 HydrophobicContact CG2-CD2 4.02Å; V490-F500 HydrophobicContact CG2-CE2 3.51Å; V490-F500 HydrophobicContact CG2-CZ 4.07Å; V490-F500 PolarHBondContact N-O 2.88Å; V490-F500 PolarHBondContact O-N 3.29Å; S498-F500 WeakPolarHBondContact O-CD1 3.39Å; F500-L502 HydrophobicContact CD2-CB 4.08Å; F500-L502 HydrophobicContact CE2-CB 3.96Å; F500-L502 HydrophobicContact CE2-CD1 4.18Å; F500-R514 HydrophobicContact CB-CB 4.31Å; F500-R514 HydrophobicContact CD2-CB 3.73Å; F500-R514 HydrophobicContact CD2-CG 4.4Å; F500-R514 VanDerWaalsContact CE1-NH1 3.32Å; F500-R514 HydrophobicContact CE2-CB 4.35Å; F500-R514 HydrophobicContact CG-CB 4.21Å; F500-A515 VanDerWaalsContact CA-O 3.23Å; F500-A515 WeakPolarHBondContact CA-O 3.26Å; F500-A515 WeakPolarHBondContact CB-O 3.49Å; F500-E516 HydrophobicContact CB-CG 4.25Å
501	L	98.6	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.1	160.7	172.3	63.4	0	0	0	108.4	L41 F69 M71 V76 L487 R514 A515	L41-L501 HydrophobicContact CD2-CD1 3.47Å; L41-L501 VanDerWaalsContact CD2-CD1 3.47Å; F69-L501 HydrophobicContact CB-CD2 4.01Å; F69-L501 HydrophobicContact CD1-CB 3.77Å; F69-L501 HydrophobicContact CD1-CD2 4.15Å; F69-L501 HydrophobicContact CE1-CB 3.81Å; F69-L501 HydrophobicContact CG-CB 4.39Å; F69-L501 HydrophobicContact CG-CD2 4.24Å; F69-L501 HydrophobicContact CZ-CB 4.49Å; M71-L501 HydrophobicContact CG-CD2 4.21Å; M71-L501 HydrophobicContact SD-CD2 3.73Å; V76-L501 HydrophobicContact CG1-CD2 4.14Å; L487-L501 HydrophobicContact CB-CD1 4.24Å; L501-R514 CarbonylContact O-C 3.45Å; L501-R514 WeakPolarHBondContact O-CA 3.34Å; L501-A515 HydrophobicContact CB-CB 4.3Å; L501-A515 PolarHBondContact N-O 2.89Å; L501-A515 PolarHBondContact O-N 2.84Å
502	L	98.8	Very high	96.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139	174.4	179.4	67	0	0	0	110.6	L447 W460 L487 S488 V490 F500 L504 E511	L447-L502 HydrophobicContact CD1-CD2 3.85Å; W460-L502 HydrophobicContact CD2-CD2 3.64Å; W460-L502 VanDerWaalsContact CE2-CD2 3.49Å; W460-L502 HydrophobicContact CE3-CD2 3.76Å; W460-L502 HydrophobicContact CG-CD2 4.41Å; W460-L502 HydrophobicContact CH2-CD2 3.71Å; W460-L502 HydrophobicContact CZ2-CD1 4.08Å; W460-L502 HydrophobicContact CZ2-CD2 3.55Å; W460-L502 HydrophobicContact CZ2-CG 4.45Å; W460-L502 HydrophobicContact CZ3-CD2 3.79Å; L487-L502 WeakPolarHBondContact CA-O 3.34Å; S488-L502 PolarHBondContact N-O 3.32Å; S488-L502 WeakPolarHBondContact O-CB 3.31Å; S488-L502 PolarHBondContact O-N 2.76Å; V490-L502 HydrophobicContact CG2-CB 3.68Å; V490-L502 HydrophobicContact CG2-CD2 4.02Å; V490-L502 HydrophobicContact CG2-CG 4.49Å; F500-L502 HydrophobicContact CD2-CB 4.08Å; F500-L502 HydrophobicContact CE2-CB 3.96Å; F500-L502 HydrophobicContact CE2-CD1 4.18Å; L502-L504 HydrophobicContact CD1-CD2 3.86Å; L502-L504 HydrophobicContact CD2-CD1 4.2Å; L502-L504 HydrophobicContact CD2-CD2 3.81Å; L502-L504 HydrophobicContact CD2-CG 3.91Å; L502-L504 HydrophobicContact CG-CD2 3.83Å; L502-L504 HydrophobicContact CG-CG 4.03Å; L502-E511 HydrophobicContact CD1-CB 4.33Å; L502-E511 HydrophobicContact CD1-CG 3.65Å
503	V	98.8	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	111.2	171.5	-173.1	0	0	0	0	109.1	I33 V485 I486 L487 L512 G513	I33-V503 HydrophobicContact CD1-CB 4.28Å; I33-V503 HydrophobicContact CD1-CG2 3.57Å; V485-V503 HydrophobicContact CB-CG1 3.85Å; V485-V503 HydrophobicContact CG1-CG1 3.89Å; V485-V503 HydrophobicContact CG2-CG1 4.24Å; I486-V503 WeakPolarHBondContact O-CA 3.32Å; L487-V503 HydrophobicContact CD2-CB 4.38Å; L487-V503 HydrophobicContact CD2-CG1 4.13Å; L487-V503 HydrophobicContact CD2-CG2 3.79Å; V503-L512 HydrophobicContact CG1-CB 4.42Å; V503-L512 HydrophobicContact CG1-CD1 4.27Å; V503-L512 PolarHBondContact O-N 3.18Å; V503-G513 PolarHBondContact N-O 3.04Å; V503-G513 PolarHBondContact O-N 2.74Å
504	L	98.9	Very high	96.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.9	172.6	-53.4	-179.3	0	0	0	110.3	L447 W460 V485 I486 L502 A506 F509 T510 E511	L447-L504 HydrophobicContact CD1-CD1 3.85Å; W460-L504 HydrophobicContact CB-CD1 3.8Å; W460-L504 HydrophobicContact CG-CD1 3.93Å; W460-L504 HydrophobicContact CG-CD2 4.06Å; V485-L504 CarbonylContact C-O 3.6Å; V485-L504 WeakPolarHBondContact CA-O 3.23Å; V485-L504 WeakPolarHBondContact CB-O 3.46Å; I486-L504 HydrophobicContact CB-CB 4.21Å; I486-L504 PolarHBondContact N-O 2.81Å; I486-L504 PolarHBondContact O-N 3.5Å; L502-L504 HydrophobicContact CD1-CD2 3.86Å; L502-L504 HydrophobicContact CD2-CD1 4.2Å; L502-L504 HydrophobicContact CD2-CD2 3.81Å; L502-L504 HydrophobicContact CD2-CG 3.91Å; L502-L504 HydrophobicContact CG-CD2 3.83Å; L502-L504 HydrophobicContact CG-CG 4.03Å; L504-A506 PolarHBondContact O-N 2.69Å; L504-F509 HydrophobicContact CD1-CD1 4.44Å; L504-F509 HydrophobicContact CD1-CD2 4.2Å; L504-F509 HydrophobicContact CD1-CE1 4.23Å; L504-F509 HydrophobicContact CD1-CE2 3.97Å; L504-F509 HydrophobicContact CD1-CG 4.44Å; L504-F509 HydrophobicContact CD1-CZ 4Å; L504-T510 WeakPolarHBondContact CA-O 3.31Å; L504-E511 HydrophobicContact CD2-CB 3.83Å; L504-E511 HydrophobicContact CD2-CG 4.44Å
505	D	98.7	Very high	97	Very high	45 Å²	45	39 Å²	39	24%	0.241	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.2	163.7	174.4	71.3	0	0	0	109	K507 S508 F509 T510 L512	D505-K507 PolarHBondContact O-N 2.77Å; D505-K507 PolarHBondContact OD2-N 3.34Å; D505-S508 WeakPolarHBondContact CB-OG 3.44Å; D505-S508 VanDerWaalsContact OD2-CB 3.25Å; D505-S508 WeakPolarHBondContact OD2-CB 3.31Å; D505-S508 PolarHBondContact OD2-N 3.16Å; D505-S508 PolarHBondContact OD2-OG 3.29Å; D505-F509 WeakPolarHBondContact O-CA 3.35Å; D505-F509 PolarHBondContact O-N 2.88Å; D505-T510 PolarHBondContact N-O 2.9Å; D505-L512 HydrophobicContact CB-CD1 4.08Å; D505-L512 HydrophobicContact CB-CD2 3.98Å; D505-L512 HydrophobicContact CB-CG 3.96Å
506	A	98.7	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.3	-171.8	0	0	0	0	0	112.8	Y435 K449 F472 D482 G484 I486 L504	Y435-A506 HydrophobicContact CE1-CB 4.28Å; K449-A506 WeakPolarHBondContact CD-O 3.5Å; K449-A506 WeakPolarHBondContact CE-O 3.48Å; K449-A506 PolarHBondContact NZ-O 2.89Å; F472-A506 HydrophobicContact CD2-CB 3.92Å; F472-A506 HydrophobicContact CE2-CB 3.63Å; D482-A506 WeakPolarHBondContact O-CB 3.4Å; G484-A506 VanDerWaalsContact O-CB 3.28Å; G484-A506 WeakPolarHBondContact O-CB 3.32Å; G484-A506 PolarHBondContact O-N 2.97Å; I486-A506 HydrophobicContact CD1-CB 4.2Å; I486-A506 HydrophobicContact CG1-CB 4.03Å; L504-A506 PolarHBondContact O-N 2.69Å
507	K	97.9	Very high	97.8	Very high	92 Å²	92	27.4 Å²	27.4	40%	0.4	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-60.1	179.7	-174.3	165.6	-171.3	168.2	0	112.2	K449 E480 D482 D505	K449-K507 PolarHBondContact NZ-O 3.18Å; E480-K507 VanDerWaalsContact CD-NZ 3.32Å; E480-K507 IonicContact OE1-NZ 2.89Å; E480-K507 PolarHBondContact OE1-NZ 2.97Å; E480-K507 VanDerWaalsContact OE1-NZ 3.16Å; E480-K507 IonicContact OE2-NZ 2.95Å; E480-K507 PolarHBondContact OE2-NZ 2.98Å; D482-K507 PolarHBondContact O-N 2.83Å; D482-K507 WeakPolarHBondContact OD2-CA 3.37Å; D505-K507 PolarHBondContact O-N 2.77Å; D505-K507 PolarHBondContact OD2-N 3.34Å
508	S	97.9	Very high	97.7	Very high	37 Å²	37	27.7 Å²	27.7	26%	0.259	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-25.2	-178.8	64.1	0	0	0	0	113.1	R458 D505 T510	R458-S508 VanDerWaalsContact NH1-CA 3.35Å; R458-S508 PolarHBondContact NH1-O 3.06Å; D505-S508 WeakPolarHBondContact CB-OG 3.44Å; D505-S508 VanDerWaalsContact OD2-CB 3.25Å; D505-S508 WeakPolarHBondContact OD2-CB 3.31Å; D505-S508 PolarHBondContact OD2-N 3.16Å; D505-S508 PolarHBondContact OD2-OG 3.29Å; S508-T510 PolarHBondContact O-N 3.15Å; S508-T510 PolarHBondContact OG-N 2.92Å; S508-T510 PolarHBondContact OG-OG1 2.88Å
509	F	98.4	Very high	97.6	Very high	11 Å²	11	26.8 Å²	26.8	5%	0.048	15%	0.145	C	C	.	.			trans	64.1	24.7	-173.4	-145.1	-118.2	0	0	0	114	Y435 L447 K449 R458 W460 I486 L504 D505	Y435-F509 HydrophobicContact CD1-CE2 4Å; L447-F509 HydrophobicContact CB-CE1 4.11Å; L447-F509 HydrophobicContact CB-CZ 3.72Å; L447-F509 VanDerWaalsContact O-CE1 3.31Å; L447-F509 WeakPolarHBondContact O-CE1 3.2Å; K449-F509 HydrophobicContact CB-CD1 4.38Å; K449-F509 HydrophobicContact CB-CD2 3.74Å; K449-F509 HydrophobicContact CB-CE1 4.4Å; K449-F509 HydrophobicContact CB-CE2 3.78Å; K449-F509 HydrophobicContact CB-CG 4.04Å; K449-F509 HydrophobicContact CB-CZ 4.11Å; K449-F509 HydrophobicContact CD-CD2 4.42Å; R458-F509 HydrophobicContact CB-CB 3.93Å; R458-F509 HydrophobicContact CB-CD1 3.93Å; R458-F509 HydrophobicContact CB-CG 4.18Å; R458-F509 WeakPolarHBondContact O-CD1 3.34Å; R458-F509 WeakPolarHBondContact O-CE1 3.37Å; W460-F509 HydrophobicContact CB-CD1 4.16Å; W460-F509 HydrophobicContact CB-CE1 3.9Å; I486-F509 HydrophobicContact CG1-CE2 4.19Å; L504-F509 HydrophobicContact CD1-CD1 4.44Å; L504-F509 HydrophobicContact CD1-CD2 4.2Å; L504-F509 HydrophobicContact CD1-CE1 4.23Å; L504-F509 HydrophobicContact CD1-CE2 3.97Å; L504-F509 HydrophobicContact CD1-CG 4.44Å; L504-F509 HydrophobicContact CD1-CZ 4Å; D505-F509 WeakPolarHBondContact O-CA 3.35Å; D505-F509 PolarHBondContact O-N 2.88Å
510	T	98.4	Very high	97.4	Very high	80 Å²	80	31 Å²	31	49%	0.491	17%	0.165	S	C	.	.			trans	-96.9	150.6	174.3	62.4	0	0	0	0	111.2	L504 D505 S508 L512	L504-T510 WeakPolarHBondContact CA-O 3.31Å; D505-T510 PolarHBondContact N-O 2.9Å; S508-T510 PolarHBondContact O-N 3.15Å; S508-T510 PolarHBondContact OG-N 2.92Å; S508-T510 PolarHBondContact OG-OG1 2.88Å; T510-L512 PolarHBondContact O-N 2.64Å
511	E	98.6	Very high	97.2	Very high	67 Å²	67	31.4 Å²	31.4	31%	0.313	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.4	177.8	-177.5	175	154.2	0	0	112.4	L502 L504 R514	L502-E511 HydrophobicContact CD1-CB 4.33Å; L502-E511 HydrophobicContact CD1-CG 3.65Å; L504-E511 HydrophobicContact CD2-CB 3.83Å; L504-E511 HydrophobicContact CD2-CG 4.44Å; E511-R514 VanDerWaalsContact CD-NH2 3.34Å; E511-R514 IonicContact OE1-CZ 3.38Å; E511-R514 IonicContact OE1-NE 3.56Å; E511-R514 PolarHBondContact OE1-NE 2.75Å; E511-R514 IonicContact OE1-NH2 3.24Å; E511-R514 PolarHBondContact OE1-NH2 3.21Å; E511-R514 IonicContact OE2-CZ 3.57Å; E511-R514 IonicContact OE2-NE 3.53Å; E511-R514 IonicContact OE2-NH2 2.69Å; E511-R514 PolarHBondContact OE2-NH2 2.88Å
512	L	98.6	Very high	97.1	Very high	53 Å²	53	31.8 Å²	31.8	28%	0.277	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-41.8	170.7	-64.7	178	0	0	0	110.7	H32 P34 V485 V503 D505 T510	H32-L512 PolarHBondContact N-O 3.06Å; H32-L512 CarbonylContact O-C 3.58Å; P34-L512 HydrophobicContact CG-CD1 4.08Å; V485-L512 HydrophobicContact CG1-CD1 3.81Å; V503-L512 HydrophobicContact CG1-CB 4.42Å; V503-L512 HydrophobicContact CG1-CD1 4.27Å; V503-L512 PolarHBondContact O-N 3.18Å; D505-L512 HydrophobicContact CB-CD1 4.08Å; D505-L512 HydrophobicContact CB-CD2 3.98Å; D505-L512 HydrophobicContact CB-CG 3.96Å; T510-L512 PolarHBondContact O-N 2.64Å
513	G	98.4	Very high	96.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	177.4	177.6	0	0	0	0	0	112.2	R30 V503	R30-G513 CarbonylContact O-C 3.57Å; R30-G513 WeakPolarHBondContact O-CA 3.29Å; V503-G513 PolarHBondContact N-O 3.04Å; V503-G513 PolarHBondContact O-N 2.74Å
514	R	98.5	Very high	96.7	Very high	31 Å²	31	32.4 Å²	32.4	12%	0.117	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152	176.4	64.2	179.4	72.9	-174.7	-0.7	111.4	V29 R30 E462 F500 L501 E511	V29-R514 CarbonylContact C-O 3.52Å; V29-R514 WeakPolarHBondContact CA-O 3.3Å; R30-R514 HydrophobicContact CB-CG 4.18Å; R30-R514 PolarHBondContact N-O 2.89Å; R30-R514 PolarHBondContact O-N 3.2Å; E462-R514 IonicContact OE1-NH1 3.57Å; E462-R514 PolarHBondContact OE1-NH1 3.21Å; E462-R514 IonicContact OE2-CZ 3.28Å; E462-R514 VanDerWaalsContact OE2-CZ 3.28Å; E462-R514 IonicContact OE2-NH1 2.71Å; E462-R514 PolarHBondContact OE2-NH1 3.09Å; E462-R514 IonicContact OE2-NH2 2.75Å; E462-R514 PolarHBondContact OE2-NH2 3.09Å; F500-R514 HydrophobicContact CB-CB 4.31Å; F500-R514 HydrophobicContact CD2-CB 3.73Å; F500-R514 HydrophobicContact CD2-CG 4.4Å; F500-R514 VanDerWaalsContact CE1-NH1 3.32Å; F500-R514 HydrophobicContact CE2-CB 4.35Å; F500-R514 HydrophobicContact CG-CB 4.21Å; L501-R514 CarbonylContact O-C 3.45Å; L501-R514 WeakPolarHBondContact O-CA 3.34Å; E511-R514 VanDerWaalsContact CD-NH2 3.34Å; E511-R514 IonicContact OE1-CZ 3.38Å; E511-R514 IonicContact OE1-NE 3.56Å; E511-R514 PolarHBondContact OE1-NE 2.75Å; E511-R514 IonicContact OE1-NH2 3.24Å; E511-R514 PolarHBondContact OE1-NH2 3.21Å; E511-R514 IonicContact OE2-CZ 3.57Å; E511-R514 IonicContact OE2-NE 3.53Å; E511-R514 IonicContact OE2-NH2 2.69Å; E511-R514 PolarHBondContact OE2-NH2 2.88Å
515	A	98.5	Very high	96.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	101.7	176.5	0	0	0	0	0	110.1	A27 V29 V76 F500 L501	A27-A515 HydrophobicContact CB-CB 3.73Å; V29-A515 HydrophobicContact CG2-CB 4.3Å; V76-A515 HydrophobicContact CB-CB 3.66Å; V76-A515 HydrophobicContact CG1-CB 3.93Å; V76-A515 HydrophobicContact CG2-CB 3.69Å; F500-A515 VanDerWaalsContact CA-O 3.23Å; F500-A515 WeakPolarHBondContact CA-O 3.26Å; F500-A515 WeakPolarHBondContact CB-O 3.49Å; L501-A515 HydrophobicContact CB-CB 4.3Å; L501-A515 PolarHBondContact N-O 2.89Å; L501-A515 PolarHBondContact O-N 2.84Å
516	E	98.2	Very high	96.6	Very high	19 Å²	19	30.9 Å²	30.9	9%	0.089	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.1	-175.5	-58.4	177.2	155	0	0	111.3	A27 R28 R30 F500	A27-E516 CarbonylContact C-O 3.53Å; A27-E516 WeakPolarHBondContact CA-O 3.24Å; A27-E516 WeakPolarHBondContact CB-O 3.27Å; R28-E516 HydrophobicContact CB-CB 4.31Å; R28-E516 PolarHBondContact N-O 3.43Å; R28-E516 PolarHBondContact O-N 2.97Å; R30-E516 WeakPolarHBondContact CD-OE1 3.03Å; R30-E516 VanDerWaalsContact CZ-CD 3.49Å; R30-E516 IonicContact CZ-OE1 3Å; R30-E516 IonicContact CZ-OE2 3.82Å; R30-E516 VanDerWaalsContact CZ-OE2 3.26Å; R30-E516 IonicContact NE-OE1 2.75Å; R30-E516 PolarHBondContact NE-OE1 3.26Å; R30-E516 IonicContact NE-OE2 3.98Å; R30-E516 PolarHBondContact NE-OE2 2.86Å; R30-E516 IonicContact NH1-OE1 3.55Å; R30-E516 VanDerWaalsContact NH2-CD 3.33Å; R30-E516 IonicContact NH2-OE1 3.18Å; R30-E516 PolarHBondContact NH2-OE1 2.97Å; R30-E516 IonicContact NH2-OE2 3.88Å; R30-E516 PolarHBondContact NH2-OE2 3.29Å; F500-E516 HydrophobicContact CB-CG 4.25Å
517	V	95.9	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.8	-178.4	-72.6	0	0	0	0	110	A27 F69 Y78 N499 V519 M521	A27-V517 HydrophobicContact CB-CG1 3.56Å; F69-V517 HydrophobicContact CE1-CG1 4.14Å; F69-V517 HydrophobicContact CE1-CG2 4.11Å; F69-V517 HydrophobicContact CZ-CG2 4.38Å; Y78-V517 HydrophobicContact CG-CG1 4.35Å; N499-V517 HydrophobicContact CB-CG2 4.28Å; N499-V517 VanDerWaalsContact O-CG2 3.28Å; N499-V517 WeakPolarHBondContact O-CG2 3.19Å; N499-V517 PolarHBondContact O-N 3.18Å; V517-V519 HydrophobicContact CB-CG2 4.1Å; V517-V519 HydrophobicContact CG2-CG2 4.11Å; V517-V519 PolarHBondContact O-N 3.42Å; V517-M521 HydrophobicContact CB-CE 4.38Å; V517-M521 HydrophobicContact CG2-CE 3.36Å
518	P	90.1	Very high	96.3	Very high	99 Å²	99	29 Å²	29	64%	0.643	16%	0.164	S	C	*	.			trans	-83.5	50.4	-173.6	36.1	-38.1	0	0	0	111.8	V25	V25-P518 HydrophobicContact CG1-CG 4.28Å
519	V	92.8	Very high	96.3	Very high	23 Å²	23	28.8 Å²	28.8	14%	0.139	16%	0.159	C	C	.	.	S	Bend	trans	-136.2	141.4	-175.7	-59.3	0	0	0	0	110	T21 Y78 N499 V517 M521	T21-V519 HydrophobicContact CG2-CG1 4.31Å; Y78-V519 HydrophobicContact CD1-CG2 3.72Å; Y78-V519 HydrophobicContact CE1-CB 4.32Å; Y78-V519 HydrophobicContact CE1-CG2 3.42Å; Y78-V519 VanDerWaalsContact CE1-CG2 3.42Å; N499-V519 PolarHBondContact ND2-O 3.37Å; V517-V519 HydrophobicContact CB-CG2 4.1Å; V517-V519 HydrophobicContact CG2-CG2 4.11Å; V517-V519 PolarHBondContact O-N 3.42Å; V519-M521 HydrophobicContact CG2-CE 3.37Å; V519-M521 HydrophobicContact CG2-CG 4.35Å
520	Q	92.1	Very high	96.3	Very high	91 Å²	91	28.8 Å²	28.8	43%	0.425	16%	0.159	S	C	.	.			trans	-74.3	141.6	175.1	-66	-62.3	-40.7	0	0	110.1
521	M	94.8	Very high	96.1	Very high	9 Å²	9	29.5 Å²	29.5	4%	0.044	17%	0.165	C	C	.	.			trans	-136.2	134.5	179.7	-62.5	-173.3	-165.9	0	0	109.5	F69 Y78 V489 I491 N499 V517 V519	F69-M521 HydrophobicContact CE1-CE 4.47Å; F69-M521 HydrophobicContact CE2-CE 4.47Å; F69-M521 HydrophobicContact CZ-CE 3.73Å; F69-M521 HydrophobicContact CZ-SD 4.13Å; Y78-M521 HydrophobicContact CD1-CE 4.13Å; Y78-M521 HydrophobicContact CD2-CE 3.7Å; Y78-M521 HydrophobicContact CE1-CE 3.79Å; Y78-M521 HydrophobicContact CE2-CE 3.29Å; Y78-M521 HydrophobicContact CE2-SD 4Å; Y78-M521 HydrophobicContact CG-CE 4.08Å; V489-M521 HydrophobicContact CG1-SD 3.77Å; I491-M521 HydrophobicContact CG2-CB 3.81Å; N499-M521 PolarHBondContact ND2-N 3.2Å; V517-M521 HydrophobicContact CB-CE 4.38Å; V517-M521 HydrophobicContact CG2-CE 3.36Å; V519-M521 HydrophobicContact CG2-CE 3.37Å; V519-M521 HydrophobicContact CG2-CG 4.35Å
522	P	95.3	Very high	95.7	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.058	18%	0.177	C	C	.	.			trans	-76.9	159.5	170.7	34.4	-31.7	0	0	0	110	L14 A18 P46 F49 L65 G524	L14-P522 CarbonylContact O-C 3.55Å; L14-P522 WeakPolarHBondContact O-CA 3.31Å; A18-P522 HydrophobicContact CB-CG 4.24Å; P46-P522 WeakPolarHBondContact O-CB 3.46Å; P46-P522 WeakPolarHBondContact O-CG 3.5Å; F49-P522 HydrophobicContact CE2-CB 4.5Å; L65-P522 HydrophobicContact CD2-CG 3.93Å; P522-G524 PolarHBondContact O-N 2.86Å
523	Y	96.1	Very high	95.6	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.012	17%	0.172	C	C	.	.			trans	-74.3	123.5	174.3	-160.5	-71.1	0	0	0	110.6	L14 W59 V443 G444 P467 I491	L14-Y523 PolarHBondContact O-N 3.19Å; W59-Y523 HydrophobicContact CH2-CD1 4.01Å; W59-Y523 HydrophobicContact CH2-CE1 4.1Å; W59-Y523 AromaticContact CZ2-CD1 3.58Å; W59-Y523 HydrophobicContact CZ2-CD1 3.58Å; W59-Y523 HydrophobicContact CZ2-CE1 4.12Å; W59-Y523 PolarHBondContact NE1-O 2.83Å; V443-Y523 HydrophobicContact CB-CD2 4.01Å; V443-Y523 HydrophobicContact CB-CE1 4.3Å; V443-Y523 HydrophobicContact CB-CE2 3.79Å; V443-Y523 HydrophobicContact CB-CG 4.37Å; V443-Y523 HydrophobicContact CG1-CD1 4.4Å; V443-Y523 HydrophobicContact CG1-CD2 4.38Å; V443-Y523 HydrophobicContact CG1-CG 4.29Å; V443-Y523 HydrophobicContact CG2-CD2 4.3Å; V443-Y523 HydrophobicContact CG2-CE2 4.21Å; G444-Y523 WeakPolarHBondContact CA-OH 3.5Å; G444-Y523 PolarHBondContact N-OH 2.98Å; P467-Y523 PolarHBondContact O-OH 3.08Å; I491-Y523 HydrophobicContact CD1-CD2 3.81Å; I491-Y523 HydrophobicContact CD1-CG 4.15Å; I491-Y523 HydrophobicContact CG1-CD2 4.28Å
524	G	95	Very high	95.5	Very high	10 Å²	10	31.9 Å²	31.9	10%	0.103	18%	0.18	C	C	.	.			trans	-108.5	-168	-178.4	0	0	0	0	0	115.7	P522	P522-G524 PolarHBondContact O-N 2.86Å
525	F	96	Very high	95.3	Very high	8 Å²	8	32 Å²	32	4%	0.035	18%	0.184	C	C	.	.			trans	-113.3	-82.7	-171.9	-54.1	-57.8	0	0	0	113.5	R43 V44 P46 W59 F60 N132 F418	R43-F525 PolarHBondContact NH1-O 3.38Å; R43-F525 PolarHBondContact NH2-O 3.01Å; V44-F525 PolarHBondContact O-N 2.89Å; P46-F525 VanDerWaalsContact CD-CE2 3.48Å; P46-F525 HydrophobicContact CG-CE2 3.96Å; P46-F525 HydrophobicContact CG-CZ 3.85Å; W59-F525 AromaticContact CD2-CE1 3.68Å; W59-F525 HydrophobicContact CD2-CE1 3.68Å; W59-F525 HydrophobicContact CD2-CZ 4.01Å; W59-F525 AromaticContact CE2-CE1 3.34Å; W59-F525 AromaticContact CE2-CZ 3.76Å; W59-F525 AromaticContact CE3-CE1 3.92Å; W59-F525 HydrophobicContact CE3-CE1 3.92Å; W59-F525 HydrophobicContact CG-CE1 4.37Å; W59-F525 HydrophobicContact CG-CZ 4.23Å; W59-F525 AromaticContact CH2-CD1 3.97Å; W59-F525 HydrophobicContact CH2-CD1 3.97Å; W59-F525 AromaticContact CH2-CE1 3.57Å; W59-F525 HydrophobicContact CH2-CE1 3.57Å; W59-F525 AromaticContact CZ2-CD1 3.8Å; W59-F525 HydrophobicContact CZ2-CD1 3.8Å; W59-F525 AromaticContact CZ2-CE1 3.24Å; W59-F525 HydrophobicContact CZ2-CE1 3.24Å; W59-F525 HydrophobicContact CZ2-CZ 4.09Å; W59-F525 AromaticContact CZ3-CE1 3.89Å; W59-F525 HydrophobicContact CZ3-CE1 3.89Å; W59-F525 AromaticContact NE1-CE1 3.89Å; W59-F525 AromaticContact NE1-CZ 3.84Å; F60-F525 AromaticContact CD1-CE1 3.86Å; F60-F525 HydrophobicContact CD1-CE1 3.86Å; F60-F525 HydrophobicContact CD1-CE2 4.27Å; F60-F525 AromaticContact CD1-CZ 3.51Å; F60-F525 HydrophobicContact CD1-CZ 3.51Å; F60-F525 AromaticContact CE1-CE1 3.86Å; F60-F525 HydrophobicContact CE1-CE1 3.86Å; F60-F525 HydrophobicContact CE1-CZ 4.01Å; N132-F525 WeakPolarHBondContact O-CD2 3.38Å; F418-F525 HydrophobicContact CE1-CB 4.31Å; F418-F525 HydrophobicContact CZ-CD1 4.31Å
526	H	98.2	Very high	95.1	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.023	20%	0.195	C	C	.	.			trans	-116.7	163.3	-172.9	-56	-72.2	0	0	0	113.9	R43 V44 V133 N134 H179 H310 F418 E469	R43-H526 VanDerWaalsContact CZ-C 3.47Å; R43-H526 PolarHBondContact NH1-O 2.89Å; V44-H526 PolarHBondContact N-O 3.47Å; V133-H526 WeakPolarHBondContact O-CB 3.18Å; V133-H526 PolarHBondContact O-CD2 3.47Å; V133-H526 PolarHBondContact O-N 2.77Å; N134-H526 HydrophobicContact CB-CB 3.9Å; N134-H526 VanDerWaalsContact CG-CB 3.43Å; N134-H526 VanDerWaalsContact OD1-CB 3.23Å; N134-H526 WeakPolarHBondContact OD1-CB 3.23Å; H179-H526 AromaticContact CE1-CD2 3.68Å; H179-H526 AromaticContact CE1-CE1 3.38Å; H179-H526 PolarHBondContact CE1-CE1 2.86Å; H179-H526 AromaticContact CE1-CG 3.83Å; H179-H526 AromaticContact CE1-ND1 3.66Å; H179-H526 AromaticContact CE1-NE2 3.43Å; H179-H526 PolarHBondContact CE1-NE2 2.9Å; H179-H526 AromaticContact NE2-CD2 3.81Å; H179-H526 AromaticContact NE2-CE1 3.85Å; H179-H526 AromaticContact NE2-NE2 3.46Å; H179-H526 PolarHBondContact NE2-NE2 2.94Å; H310-H526 AromaticContact CD2-CE1 3.93Å; H310-H526 AromaticContact CE1-CE1 3.96Å; H310-H526 AromaticContact NE2-CE1 3.19Å; H310-H526 PolarHBondContact NE2-CE1 2.69Å; H310-H526 AromaticContact NE2-NE2 3.54Å; F418-H526 AromaticContact CD1-CE1 3.34Å; F418-H526 WeakPolarHBondContact CD1-CE1 3.1Å; F418-H526 AromaticContact CD1-ND1 3.71Å; F418-H526 AromaticContact CE1-CE1 3.34Å; F418-H526 WeakPolarHBondContact CE1-CE1 3.42Å; F418-H526 AromaticContact CE1-ND1 3.92Å; F418-H526 AromaticContact CE1-NE2 3.73Å; E469-H526 IonicContact OE1-CE1 3.62Å; E469-H526 IonicContact OE1-CG 3.54Å; E469-H526 IonicContact OE1-ND1 2.85Å; E469-H526 PolarHBondContact OE1-ND1 2.78Å; E469-H526 VanDerWaalsContact OE2-CA 3.23Å; E469-H526 WeakPolarHBondContact OE2-CA 3.47Å; E469-H526 IonicContact OE2-ND1 3.69Å
527	G	94	Very high	94.9	Very high	7 Å²	7	34.8 Å²	34.8	7%	0.072	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	-176.6	171.5	0	0	0	0	0	113.6	L42 E469	L42-G527 CarbonylContact O-C 3.49Å; L42-G527 WeakPolarHBondContact O-CA 3.48Å; E469-G527 PolarHBondContact OE2-N 3.02Å
528	T	97	Very high	94.8	Very high	47 Å²	47	37.1 Å²	37.1	29%	0.288	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.1	-170.8	-171.6	0	0	0	0	110.4	L42 F135 V530	L42-T528 HydrophobicContact CB-CG2 4.36Å; L42-T528 PolarHBondContact N-O 3.23Å; L42-T528 PolarHBondContact O-N 3.05Å; F135-T528 HydrophobicContact CB-CG2 3.92Å; T528-V530 HydrophobicContact CG2-CG2 4.21Å
529	F	98.1	Very high	95.2	Very high	32 Å²	32	32.7 Å²	32.7	14%	0.14	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.1	171.1	-178.4	-95.5	0	0	0	109.7	L37 Y40 M71 V471 V473 L487 P531	L37-F529 HydrophobicContact CD1-CE1 4.47Å; L37-F529 HydrophobicContact CD1-CE2 3.83Å; L37-F529 HydrophobicContact CD1-CZ 3.74Å; L37-F529 HydrophobicContact CG-CE2 4.28Å; L37-F529 HydrophobicContact CG-CZ 4.34Å; Y40-F529 CarbonylContact O-C 3.53Å; Y40-F529 WeakPolarHBondContact O-CA 3.36Å; M71-F529 HydrophobicContact CE-CD2 4.02Å; M71-F529 HydrophobicContact CE-CE2 3.61Å; M71-F529 HydrophobicContact SD-CE2 4.25Å; V471-F529 HydrophobicContact CG1-CB 3.92Å; V473-F529 HydrophobicContact CB-CD1 4.44Å; V473-F529 HydrophobicContact CG1-CD1 3.69Å; V473-F529 HydrophobicContact CG1-CE1 3.68Å; V473-F529 HydrophobicContact CG1-CG 4.28Å; V473-F529 HydrophobicContact CG1-CZ 4.26Å; V473-F529 HydrophobicContact CG2-CB 3.71Å; V473-F529 HydrophobicContact CG2-CD1 3.81Å; V473-F529 HydrophobicContact CG2-CD2 3.95Å; V473-F529 HydrophobicContact CG2-CE1 4.42Å; V473-F529 HydrophobicContact CG2-CG 3.54Å; L487-F529 HydrophobicContact CD1-CD2 3.64Å; L487-F529 HydrophobicContact CD1-CE2 4.1Å; L487-F529 HydrophobicContact CD1-CG 4.44Å; F529-P531 HydrophobicContact CE1-CB 4.19Å
530	V	97.2	Very high	95.4	Very high	10 Å²	10	33.5 Å²	33.5	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.2	177.7	-178.4	0	0	0	0	108.9	G39 Y40 L42 Y142 I156 T528	G39-V530 CarbonylContact C-O 3.58Å; G39-V530 WeakPolarHBondContact CA-O 3.15Å; Y40-V530 PolarHBondContact N-O 3.17Å; Y40-V530 PolarHBondContact O-N 3.48Å; L42-V530 HydrophobicContact CD1-CG2 3.78Å; Y142-V530 HydrophobicContact CE1-CG2 3.69Å; Y142-V530 HydrophobicContact CE2-CG1 4.41Å; Y142-V530 VanDerWaalsContact OH-CG1 3.24Å; Y142-V530 WeakPolarHBondContact OH-CG1 3.39Å; Y142-V530 WeakPolarHBondContact OH-CG2 3.37Å; I156-V530 HydrophobicContact CD1-CB 4.32Å; I156-V530 HydrophobicContact CD1-CG1 3.81Å; I156-V530 HydrophobicContact CD1-CG2 4.34Å; T528-V530 HydrophobicContact CG2-CG2 4.21Å
531	P	95.3	Very high	95.6	Very high	96 Å²	96	28.7 Å²	28.7	62%	0.623	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	149.9	176.1	28.4	-33.9	0	0	0	111.6	N38 F529	N38-P531 WeakPolarHBondContact O-CA 3.12Å; F529-P531 HydrophobicContact CE1-CB 4.19Å
532	I	90.7	Very high	95.7	Very high	108 Å²	108	30.5 Å²	30.5	55%	0.554	18%	0.179	S	C	*	.			trans	-119	0	175.2	65.5	-175.6	0	0	0	113.5	N38 Y40	N38-I532 HydrophobicContact CB-CG1 4.4Å; N38-I532 VanDerWaalsContact CG-CG1 3.48Å; N38-I532 PolarHBondContact ND2-O 3.39Å; N38-I532 PolarHBondContact O-N 3.25Å; N38-I532 VanDerWaalsContact O-N 3.13Å; N38-I532 WeakPolarHBondContact OD1-CD1 3.47Å; N38-I532 VanDerWaalsContact OD1-CG1 3.32Å; N38-I532 WeakPolarHBondContact OD1-CG1 3.37Å; Y40-I532 HydrophobicContact CD2-CG2 3.71Å; Y40-I532 HydrophobicContact CE2-CG2 3.37Å

Retrieved 532 of 532 residues in 1207.1 ms (Link to these results)

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