A0A077Z8Y7_TRITR Loading...

Protein will die slowly

AlphaFold DB , UniProt , Accession A0A077Z8Y7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 343 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	30.9	Very low	41.8	Very low	245 Å²	245	102.1 Å²	102.1	100%	1.207	64%	0.64	S	S	*	*				0	119.6	0	-57.6	-179.4	-145.7	0	0	104.6
2	S	33.6	Very low	41.9	Very low	116 Å²	116	99.6 Å²	99.6	81%	0.811	65%	0.648	S	S	*	*			cis	-88.9	142.5	16.4	50.6	0	0	0	0	114.1
3	G	32	Very low	42.2	Very low	61 Å²	61	101.2 Å²	101.2	63%	0.629	65%	0.654	S	S	*	*			trans	-93.7	95	173.3	0	0	0	0	0	110.1	S5	G3-S5 PolarHBondContact O-N 3.28Å; G3-S5 VanDerWaalsContact O-N 3.14Å
4	S	42.6	Very low	42.1	Very low	69 Å²	69	102.7 Å²	102.7	48%	0.483	67%	0.669	S	S	.	*			trans	-67.9	107.3	164.7	59	0	0	0	0	108.1	F6	S4-F6 PolarHBondContact O-N 3.03Å
5	S	39.4	Very low	42.9	Very low	89 Å²	89	107.9 Å²	107.9	62%	0.622	68%	0.677	S	S	*	*			trans	-68.1	102.1	179.4	57.2	0	0	0	0	110.5	G3 D7 K281	G3-S5 PolarHBondContact O-N 3.28Å; G3-S5 VanDerWaalsContact O-N 3.14Å; S5-D7 PolarHBondContact O-N 2.73Å; S5-D7 VanDerWaalsContact O-N 3.07Å; S5-K281 PolarHBondContact O-NZ 3.26Å
6	F	51.8	Low	43.9	Very low	8 Å²	8	109.6 Å²	109.6	4%	0.035	69%	0.686	C	S	.	*			trans	-82	45.9	169.6	-162.1	-89.1	0	0	0	110.2	S4 N234 Y237 F275 V277 L297	S4-F6 PolarHBondContact O-N 3.03Å; F6-N234 HydrophobicContact CB-CB 3.84Å; F6-N234 WeakPolarHBondContact CD1-ND2 3.49Å; F6-N234 PolarHBondContact O-ND2 3.04Å; F6-Y237 AromaticContact CD1-CD2 3.92Å; F6-Y237 HydrophobicContact CD1-CD2 3.92Å; F6-Y237 AromaticContact CD1-CE2 3.93Å; F6-Y237 HydrophobicContact CD1-CE2 3.93Å; F6-Y237 AromaticContact CE1-CD2 3.62Å; F6-Y237 HydrophobicContact CE1-CD2 3.62Å; F6-Y237 AromaticContact CE1-CE2 3.94Å; F6-Y237 HydrophobicContact CE1-CE2 3.94Å; F6-F275 HydrophobicContact CE1-CE1 4.45Å; F6-F275 AromaticContact CE2-CD1 3.84Å; F6-F275 HydrophobicContact CE2-CD1 3.84Å; F6-F275 HydrophobicContact CE2-CE1 4.4Å; F6-F275 AromaticContact CZ-CD1 3.55Å; F6-F275 HydrophobicContact CZ-CD1 3.55Å; F6-F275 AromaticContact CZ-CE1 3.66Å; F6-F275 HydrophobicContact CZ-CE1 3.66Å; F6-V277 HydrophobicContact CD2-CG1 3.92Å; F6-V277 HydrophobicContact CE2-CG1 4.03Å; F6-L297 HydrophobicContact CE1-CD1 4.34Å; F6-L297 HydrophobicContact CE2-CD1 3.76Å; F6-L297 HydrophobicContact CZ-CD1 3.32Å; F6-L297 HydrophobicContact CZ-CD2 4.29Å; F6-L297 HydrophobicContact CZ-CG 4.45Å
7	D	51.9	Low	45.2	Very low	84 Å²	84	110 Å²	110	45%	0.449	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-89.4	143.1	167.9	-69.2	-41.5	0	0	0	108.8	S5 K236 K281	S5-D7 PolarHBondContact O-N 2.73Å; S5-D7 VanDerWaalsContact O-N 3.07Å; D7-K236 IonicContact OD1-NZ 3.4Å; D7-K236 PolarHBondContact OD1-NZ 3.32Å; D7-K281 PolarHBondContact O-NZ 3.2Å
8	F	48.8	Very low	47.2	Very low	70 Å²	70	111.3 Å²	111.3	31%	0.307	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-65.2	125.6	172.3	-68.6	-66.5	0	0	0	108	N10 Y237 L249 L297 Q298	F8-N10 PolarHBondContact O-N 3.37Å; F8-Y237 HydrophobicContact CE2-CE1 4.02Å; F8-Y237 AromaticContact CE2-CE2 3.88Å; F8-Y237 HydrophobicContact CE2-CE2 3.88Å; F8-Y237 AromaticContact CE2-CZ 3.41Å; F8-Y237 VanDerWaalsContact CE2-CZ 3.41Å; F8-Y237 WeakPolarHBondContact CE2-OH 3.19Å; F8-Y237 HydrophobicContact CZ-CE2 4.21Å; F8-L249 HydrophobicContact CZ-CD2 4.45Å; F8-L297 HydrophobicContact CE1-CD2 3.66Å; F8-L297 HydrophobicContact CZ-CD2 4.44Å; F8-Q298 VanDerWaalsContact CD1-OE1 3.28Å
9	P	45.1	Very low	49.2	Very low	107 Å²	107	107.6 Å²	107.6	70%	0.695	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-61.2	137.9	172	25	-30.3	0	0	0	109.1	A11	P9-A11 PolarHBondContact O-N 2.85Å
10	N	40.9	Very low	51.3	Low	160 Å²	160	102.6 Å²	102.6	86%	0.856	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-56.6	136.2	171.2	-116.9	-2.4	0	0	0	109	F8 G12	F8-N10 PolarHBondContact O-N 3.37Å; N10-G12 PolarHBondContact O-N 2.77Å
11	A	42.6	Very low	53.4	Low	114 Å²	114	100.5 Å²	100.5	94%	0.942	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	94.5	176.5	0	0	0	0	0	109.4	P9	P9-A11 PolarHBondContact O-N 2.85Å
12	G	43.5	Very low	56.5	Low	72 Å²	72	89.1 Å²	89.1	74%	0.742	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-179.3	-2.3	-176.6	0	0	0	0	0	117.5	N10	N10-G12 PolarHBondContact O-N 2.77Å
13	V	45.4	Very low	59.6	Low	120 Å²	120	87.7 Å²	87.7	73%	0.727	54%	0.535	S	S	*	.			trans	-124.8	104.9	176.2	-171.1	0	0	0	0	109.8	K15	V13-K15 HydrophobicContact CG1-CG 4.24Å; V13-K15 PolarHBondContact O-N 2.94Å
14	S	40.4	Very low	62.8	Low	123 Å²	123	88.7 Å²	88.7	86%	0.86	53%	0.525	S	S	*	.			trans	-66.3	79.5	168.3	159.9	0	0	0	0	109.7
15	K	54.8	Low	65.4	Low	181 Å²	181	89.8 Å²	89.8	79%	0.787	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-80.9	126.7	156.5	-75.9	-173.7	176.7	-176.5	0	106.9	V13 F17	V13-K15 HydrophobicContact CG1-CG 4.24Å; V13-K15 PolarHBondContact O-N 2.94Å; K15-F17 PolarHBondContact O-N 3.12Å; K15-F17 VanDerWaalsContact O-N 3.09Å
16	T	58.2	Low	68.2	Low	135 Å²	135	87 Å²	87	83%	0.828	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-49.8	118.6	173.5	39.8	0	0	0	0	109.1	R18	T16-R18 PolarHBondContact O-N 3.31Å
17	F	67	Low	70.4	Confident	116 Å²	116	89.6 Å²	89.6	51%	0.509	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-63.6	122.4	177.5	171.7	-96	0	0	0	108.6	K15 A19 W282 N296 V303	K15-F17 PolarHBondContact O-N 3.12Å; K15-F17 VanDerWaalsContact O-N 3.09Å; F17-A19 HydrophobicContact CE1-CB 4.17Å; F17-A19 HydrophobicContact CZ-CB 4.41Å; F17-W282 HydrophobicContact CE2-CH2 4.06Å; F17-W282 HydrophobicContact CE2-CZ3 4.09Å; F17-W282 HydrophobicContact CZ-CH2 4.47Å; F17-W282 HydrophobicContact CZ-CZ3 4.43Å; F17-N296 HydrophobicContact CE2-CB 4.43Å; F17-N296 WeakPolarHBondContact CE2-ND2 3.41Å; F17-V303 HydrophobicContact CE2-CG1 4.38Å; F17-V303 HydrophobicContact CZ-CB 4.4Å; F17-V303 HydrophobicContact CZ-CG1 3.61Å
18	R	80.4	Confident	72.5	Confident	133 Å²	133	86.2 Å²	86.2	50%	0.502	50%	0.497	S	S	.	.			trans	-110.3	132.4	169.8	-173.2	176.8	-177.6	-164.4	-3.2	106.9	T16 Y343	T16-R18 PolarHBondContact O-N 3.31Å; R18-Y343 HydrophobicContact CB-CD2 4.37Å; R18-Y343 HydrophobicContact CB-CE2 3.53Å; R18-Y343 HydrophobicContact CG-CD2 4.03Å; R18-Y343 HydrophobicContact CG-CE2 3.69Å; R18-Y343 VanDerWaalsContact O-CE2 3.23Å; R18-Y343 WeakPolarHBondContact O-CE2 3.17Å
19	A	85.7	Confident	74.8	Confident	41 Å²	41	86.5 Å²	86.5	34%	0.339	51%	0.512	S	S	.	.			trans	-77.2	149.5	170.4	0	0	0	0	0	109.3	F17 V303	F17-A19 HydrophobicContact CE1-CB 4.17Å; F17-A19 HydrophobicContact CZ-CB 4.41Å; A19-V303 HydrophobicContact CB-CB 4.42Å
20	P	91	Very high	77.2	Confident	7 Å²	7	83.2 Å²	83.2	5%	0.045	50%	0.498	C	S	.	.			trans	-65.4	158.1	168.1	32.3	-34	0	0	0	109.9	Y22 W282 I294 V303 Q304	P20-Y22 HydrophobicContact CB-CD2 3.78Å; P20-Y22 HydrophobicContact CB-CE2 3.75Å; P20-Y22 HydrophobicContact CG-CD2 4.38Å; P20-Y22 HydrophobicContact CG-CE2 4.44Å; P20-W282 HydrophobicContact CB-CZ2 4.4Å; P20-W282 HydrophobicContact CG-CD2 4.32Å; P20-W282 HydrophobicContact CG-CZ2 4.24Å; P20-I294 HydrophobicContact CG-CG2 4.13Å; P20-V303 HydrophobicContact CG-CG2 3.67Å; P20-Q304 PolarHBondContact O-OE1 2.81Å
21	N	94.7	Very high	79.9	Confident	60 Å²	60	76.1 Å²	76.1	32%	0.321	46%	0.46	S	S	.	.			trans	-132.8	53.4	-178.6	65.9	-30.4	0	0	0	110.9	T23 S341 N342 Y343	N21-T23 PolarHBondContact O-N 3.41Å; N21-S341 PolarHBondContact N-OG 3.26Å; N21-S341 PolarHBondContact OD1-OG 2.92Å; N21-S341 VanDerWaalsContact OD1-OG 3.06Å; N21-N342 VanDerWaalsContact CG-OD1 3.29Å; N21-N342 PolarHBondContact ND2-OD1 2.89Å; N21-N342 PolarHBondContact OD1-N 3.11Å; N21-N342 PolarHBondContact OD1-OD1 3.02Å; N21-N342 VanDerWaalsContact OD1-OD1 3.06Å; N21-Y343 PolarHBondContact OD1-N 2.78Å
22	Y	97.6	Very high	82.6	Confident	6 Å²	6	75.3 Å²	75.3	2%	0.024	44%	0.443	C	S	.	.			trans	-57.8	128.8	176	-75.4	-84.5	0	0	0	110.8	P20 I294 Q304 L306 N323 I325 W339 I340	P20-Y22 HydrophobicContact CB-CD2 3.78Å; P20-Y22 HydrophobicContact CB-CE2 3.75Å; P20-Y22 HydrophobicContact CG-CD2 4.38Å; P20-Y22 HydrophobicContact CG-CE2 4.44Å; Y22-I294 HydrophobicContact CD2-CD1 3.35Å; Y22-I294 HydrophobicContact CE2-CD1 3.8Å; Y22-I294 HydrophobicContact CG-CD1 4.09Å; Y22-Q304 PolarHBondContact O-NE2 2.95Å; Y22-L306 HydrophobicContact CG-CD1 4.45Å; Y22-N323 WeakPolarHBondContact CE1-O 3.08Å; Y22-I325 HydrophobicContact CD1-CD1 3.9Å; Y22-I325 HydrophobicContact CD1-CG1 4.21Å; Y22-I325 HydrophobicContact CD2-CD1 3.97Å; Y22-I325 HydrophobicContact CE1-CB 4.31Å; Y22-I325 HydrophobicContact CE1-CD1 3.57Å; Y22-I325 HydrophobicContact CE1-CG1 3.63Å; Y22-I325 HydrophobicContact CE2-CD1 3.66Å; Y22-I325 HydrophobicContact CG-CD1 4.08Å; Y22-I325 VanDerWaalsContact CZ-CD1 3.44Å; Y22-W339 HydrophobicContact CD1-CB 3.99Å; Y22-W339 WeakPolarHBondContact CD1-O 3.46Å; Y22-W339 HydrophobicContact CG-CB 4.48Å; Y22-I340 CarbonylContact C-O 3.53Å; Y22-I340 VanDerWaalsContact CA-O 3.31Å; Y22-I340 WeakPolarHBondContact CA-O 3.18Å
23	T	97.7	Very high	85.2	Confident	86 Å²	86	76.7 Å²	76.7	53%	0.528	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.1	174.7	54.3	0	0	0	0	109.2	N21 K25 W339 I340	N21-T23 PolarHBondContact O-N 3.41Å; T23-K25 PolarHBondContact O-N 2.79Å; T23-K25 VanDerWaalsContact O-N 3.17Å; T23-W339 CarbonylContact O-C 3.54Å; T23-W339 WeakPolarHBondContact O-CA 3.44Å; T23-I340 PolarHBondContact N-O 2.86Å; T23-I340 PolarHBondContact O-N 3.34Å; T23-I340 PolarHBondContact OG1-O 3.17Å
24	L	98.3	Very high	87.7	Confident	82 Å²	82	71.7 Å²	71.7	43%	0.429	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	119.2	178.9	-177.9	66.8	0	0	0	109.5	K337 W339	L24-K337 HydrophobicContact CD1-CB 3.72Å; L24-K337 HydrophobicContact CD1-CD 4.04Å; L24-K337 HydrophobicContact CD1-CG 3.89Å; L24-W339 HydrophobicContact CB-CE3 4.02Å; L24-W339 HydrophobicContact CB-CZ3 3.94Å; L24-W339 HydrophobicContact CD1-CD2 4.41Å; L24-W339 HydrophobicContact CD1-CE3 4.17Å; L24-W339 HydrophobicContact CD1-CH2 4.26Å; L24-W339 HydrophobicContact CD1-CZ2 4.5Å; L24-W339 HydrophobicContact CD1-CZ3 4.09Å
25	K	97.6	Very high	90.5	Very high	91 Å²	91	65.9 Å²	65.9	40%	0.396	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-50.3	176.7	-172	177.1	174	166.8	0	111.3	T23 L62 A338 I340	T23-K25 PolarHBondContact O-N 2.79Å; T23-K25 VanDerWaalsContact O-N 3.17Å; K25-L62 WeakPolarHBondContact CE-O 3.46Å; K25-L62 PolarHBondContact NZ-O 2.81Å; K25-A338 WeakPolarHBondContact CB-O 3.27Å; K25-A338 PolarHBondContact N-O 3.09Å; K25-I340 HydrophobicContact CB-CB 4.2Å; K25-I340 HydrophobicContact CB-CG2 3.83Å; K25-I340 HydrophobicContact CD-CB 4.09Å; K25-I340 HydrophobicContact CD-CD1 4.03Å; K25-I340 HydrophobicContact CD-CG2 4.11Å; K25-I340 HydrophobicContact CG-CG2 4.14Å
26	F	97.9	Very high	92.6	Very high	30 Å²	30	58.1 Å²	58.1	13%	0.132	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.8	177.6	54.8	-106.5	0	0	0	111.2	V28 G64 A338	F26-V28 HydrophobicContact CD2-CG2 3.61Å; F26-V28 HydrophobicContact CE2-CG2 3.78Å; F26-G64 VanDerWaalsContact CE2-CA 3.45Å; F26-A338 HydrophobicContact CD1-CB 4.05Å; F26-A338 HydrophobicContact CD2-CB 3.62Å; F26-A338 HydrophobicContact CE1-CB 3.62Å; F26-A338 HydrophobicContact CE2-CB 3.18Å; F26-A338 HydrophobicContact CG-CB 4.04Å; F26-A338 HydrophobicContact CZ-CB 3.17Å; F26-A338 PolarHBondContact N-O 2.96Å; F26-A338 PolarHBondContact O-N 3.43Å
27	T	98.4	Very high	94.5	Very high	64 Å²	64	51.7 Å²	51.7	39%	0.393	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.5	167.8	-61.6	0	0	0	0	107.9	T335 I336 K337	T27-T335 HydrophobicContact CG2-CG2 4.02Å; T27-I336 CarbonylContact C-O 3.16Å; T27-I336 WeakPolarHBondContact CA-O 3.3Å; T27-K337 HydrophobicContact CG2-CG 4.17Å; T27-K337 PolarHBondContact OG1-NZ 3.15Å; T27-K337 VanDerWaalsContact OG1-NZ 3.11Å
28	V	97	Very high	96	Very high	13 Å²	13	46.2 Å²	46.2	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.3	178.2	-178	0	0	0	0	108.8	F26 W59 G64 T335 I336	F26-V28 HydrophobicContact CD2-CG2 3.61Å; F26-V28 HydrophobicContact CE2-CG2 3.78Å; V28-W59 HydrophobicContact CG1-CD2 3.69Å; V28-W59 HydrophobicContact CG1-CE3 3.19Å; V28-W59 HydrophobicContact CG1-CH2 3.42Å; V28-W59 VanDerWaalsContact CG1-CH2 3.42Å; V28-W59 HydrophobicContact CG1-CZ2 3.9Å; V28-W59 HydrophobicContact CG1-CZ3 3.04Å; V28-G64 WeakPolarHBondContact CG2-O 3.31Å; V28-T335 WeakPolarHBondContact O-CA 3.37Å; V28-I336 HydrophobicContact CB-CB 4.3Å; V28-I336 PolarHBondContact N-O 2.99Å; V28-I336 PolarHBondContact O-N 2.94Å
29	A	96.6	Very high	96.9	Very high	76 Å²	76	41.7 Å²	41.7	63%	0.628	25%	0.248	S	C	*	.			trans	-118	150.2	172.6	0	0	0	0	0	109.7
30	G	95.1	Very high	97.5	Very high	38 Å²	38	40.5 Å²	40.5	39%	0.392	24%	0.235	S	C	.	.			trans	160.6	-18.8	174.1	0	0	0	0	0	115.2	K57	G30-K57 WeakPolarHBondContact O-CE 2.74Å
31	H	98.4	Very high	97.8	Very high	11 Å²	11	40.2 Å²	40.2	5%	0.051	23%	0.233	C	C	.	.			trans	-73.4	145.6	164.5	-80.2	-67.1	0	0	0	110.4	I35 S49 S51 D53 L55	H31-I35 HydrophobicContact CB-CG1 4.22Å; H31-S49 PolarHBondContact CD2-OG 3.47Å; H31-S49 PolarHBondContact NE2-OG 2.82Å; H31-S51 VanDerWaalsContact CE1-CB 3.43Å; H31-S51 WeakPolarHBondContact CE1-CB 3.09Å; H31-S51 WeakPolarHBondContact ND1-CB 3.1Å; H31-D53 VanDerWaalsContact CA-OD2 3.31Å; H31-D53 WeakPolarHBondContact CA-OD2 3.09Å; H31-D53 IonicContact CE1-OD1 3.51Å; H31-D53 IonicContact CG-OD2 3.19Å; H31-D53 IonicContact ND1-OD1 2.81Å; H31-D53 PolarHBondContact ND1-OD1 2.82Å; H31-D53 IonicContact ND1-OD2 3.76Å; H31-D53 PolarHBondContact ND1-OD2 3.02Å; H31-L55 PolarHBondContact CE1-O 2.81Å
32	T	98.4	Very high	98	Very high	96 Å²	96	39.5 Å²	39.5	59%	0.589	23%	0.232	S	C	*	.	S	Bend	trans	-98.2	-6.4	-177.3	57.9	0	0	0	0	113.2	D53 K334	T32-D53 PolarHBondContact N-OD2 2.93Å; T32-D53 VanDerWaalsContact OG1-CB 3.26Å; T32-D53 WeakPolarHBondContact OG1-CB 3.14Å; T32-K334 PolarHBondContact O-NZ 2.88Å
33	K	98.7	Very high	97.9	Very high	102 Å²	102	42.8 Å²	42.8	44%	0.443	25%	0.25	S	S	.	.	S	Bend	trans	-141.3	176.5	176.6	-64.7	-166.9	170.8	-164	0	110.7	S51 A52 D53 E331	K33-S51 PolarHBondContact O-OG 3.39Å; K33-S51 VanDerWaalsContact O-OG 3.06Å; K33-A52 HydrophobicContact CB-CB 3.91Å; K33-A52 HydrophobicContact CD-CB 4.28Å; K33-D53 HydrophobicContact CB-CB 4.04Å; K33-D53 HydrophobicContact CG-CB 4.14Å; K33-E331 WeakPolarHBondContact CA-OE2 3.19Å; K33-E331 WeakPolarHBondContact CB-OE2 3.26Å
34	A	98.6	Very high	97.9	Very high	14 Å²	14	38.7 Å²	38.7	12%	0.116	23%	0.225	C	C	.	.			trans	-41.7	135.8	177.4	0	0	0	0	0	113.5	S51 A52 L330 E331	A34-S51 VanDerWaalsContact O-CA 3.27Å; A34-S51 WeakPolarHBondContact O-CA 3.26Å; A34-S51 WeakPolarHBondContact O-CB 3.08Å; A34-S51 PolarHBondContact O-OG 3.45Å; A34-A52 HydrophobicContact CB-CB 4.41Å; A34-A52 PolarHBondContact O-N 2.8Å; A34-L330 HydrophobicContact CB-CB 4.48Å; A34-L330 HydrophobicContact CB-CD2 4.13Å; A34-E331 HydrophobicContact CB-CB 4.24Å; A34-E331 PolarHBondContact N-OE2 2.76Å
35	I	98.8	Very high	97.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125	173	-65.5	151.8	0	0	0	108.1	H31 V38 A50 A329 K334 T335 I336	H31-I35 HydrophobicContact CB-CG1 4.22Å; I35-V38 HydrophobicContact CG2-CG1 3.84Å; I35-A50 WeakPolarHBondContact CA-O 3.23Å; I35-A329 PolarHBondContact N-O 2.97Å; I35-A329 VanDerWaalsContact N-O 3.09Å; I35-K334 VanDerWaalsContact CD1-C 3.47Å; I35-K334 WeakPolarHBondContact CD1-O 3.37Å; I35-T335 WeakPolarHBondContact CD1-O 3.31Å; I35-I336 HydrophobicContact CD1-CD1 4.4Å; I35-I336 HydrophobicContact CD1-CG1 3.51Å; I35-I336 HydrophobicContact CG1-CG1 4.43Å
36	S	98.7	Very high	97.8	Very high	18 Å²	18	39.5 Å²	39.5	13%	0.126	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-34	-175.4	55.8	0	0	0	0	113	A50 V77 N78	S36-A50 PolarHBondContact N-O 2.92Å; S36-A50 VanDerWaalsContact OG-C 3.24Å; S36-A50 WeakPolarHBondContact OG-CB 3.33Å; S36-A50 PolarHBondContact OG-O 2.53Å; S36-A50 VanDerWaalsContact OG-O 3.11Å; S36-V77 VanDerWaalsContact CB-O 3.29Å; S36-V77 WeakPolarHBondContact CB-O 3.22Å; S36-V77 PolarHBondContact OG-O 3.24Å; S36-N78 VanDerWaalsContact CB-O 3.32Å; S36-N78 WeakPolarHBondContact CB-O 3.2Å; S36-N78 PolarHBondContact OG-O 2.81Å
37	S	98.6	Very high	97.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	143.8	-177.3	-169.9	0	0	0	0	111.2	K39 S49 A50 D79	S37-K39 WeakPolarHBondContact OG-CE 3.41Å; S37-K39 PolarHBondContact OG-NZ 3.34Å; S37-S49 CarbonylContact O-C 3.54Å; S37-S49 VanDerWaalsContact O-CA 3.24Å; S37-S49 WeakPolarHBondContact O-CA 3.39Å; S37-A50 PolarHBondContact O-N 3.06Å; S37-D79 WeakPolarHBondContact CB-OD1 3.3Å; S37-D79 PolarHBondContact OG-OD1 3.07Å
38	V	98.7	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.1	169.1	-63	0	0	0	0	108.7	I35 L47 A48 C315 S317 A326 I336	I35-V38 HydrophobicContact CG2-CG1 3.84Å; V38-L47 HydrophobicContact CB-CD1 4.24Å; V38-A48 CarbonylContact C-O 3.54Å; V38-A48 VanDerWaalsContact CA-O 3.28Å; V38-A48 WeakPolarHBondContact CA-O 3.45Å; V38-C315 HydrophobicContact CG2-CB 4.34Å; V38-S317 WeakPolarHBondContact O-CB 3.31Å; V38-A326 HydrophobicContact CG2-CB 4.23Å; V38-I336 HydrophobicContact CG1-CD1 4.05Å; V38-I336 HydrophobicContact CG1-CG1 4.1Å; V38-I336 HydrophobicContact CG1-CG2 4.28Å
39	K	98.6	Very high	97.9	Very high	39 Å²	39	34.4 Å²	34.4	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	129.1	177.5	-52.1	-73.2	169.2	66	0	110.9	S37 A48 D79 L80 W82	S37-K39 WeakPolarHBondContact OG-CE 3.41Å; S37-K39 PolarHBondContact OG-NZ 3.34Å; K39-A48 PolarHBondContact N-O 3.02Å; K39-A48 PolarHBondContact O-N 3.11Å; K39-D79 IonicContact NZ-OD1 3.85Å; K39-D79 PolarHBondContact NZ-OD1 3Å; K39-D79 IonicContact NZ-OD2 3.5Å; K39-L80 HydrophobicContact CB-CD1 3.64Å; K39-L80 HydrophobicContact CG-CD1 3.51Å; K39-L80 HydrophobicContact CG-CG 4.24Å; K39-L80 WeakPolarHBondContact CG-O 3.39Å; K39-L80 PolarHBondContact NZ-O 2.93Å; K39-W82 PolarHBondContact O-NE1 3.38Å
40	F	98.5	Very high	98	Very high	16 Å²	16	30.8 Å²	30.8	7%	0.07	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	145.6	166.7	-71.4	-72.6	0	0	0	110.8	W46 L47 A61 W82 S317 C318 H319 I324 A326	F40-W46 CarbonylContact C-O 3.54Å; F40-W46 WeakPolarHBondContact CA-O 3.1Å; F40-L47 HydrophobicContact CD1-CB 4.2Å; F40-L47 HydrophobicContact CD1-CD1 3.91Å; F40-L47 HydrophobicContact CD2-CD1 4.33Å; F40-L47 HydrophobicContact CE1-CB 4.2Å; F40-L47 HydrophobicContact CE1-CD1 3.95Å; F40-L47 HydrophobicContact CE2-CD1 4.38Å; F40-L47 HydrophobicContact CG-CD1 4.12Å; F40-L47 HydrophobicContact CZ-CD1 4.19Å; F40-A61 HydrophobicContact CD1-CB 3.78Å; F40-A61 HydrophobicContact CE1-CB 3.77Å; F40-W82 VanDerWaalsContact O-CD1 3.25Å; F40-S317 WeakPolarHBondContact CE2-O 3.46Å; F40-S317 PolarHBondContact N-OG 3.34Å; F40-C318 VanDerWaalsContact CD2-C 3.48Å; F40-H319 AromaticContact CD1-CD2 3.65Å; F40-H319 HydrophobicContact CD2-CB 4.09Å; F40-H319 AromaticContact CE1-CD2 3.8Å; F40-H319 HydrophobicContact CE2-CB 4.03Å; F40-H319 HydrophobicContact CG-CB 4.35Å; F40-H319 HydrophobicContact CZ-CB 4.27Å; F40-I324 HydrophobicContact CZ-CG2 3.79Å; F40-A326 HydrophobicContact CE2-CB 3.68Å; F40-A326 HydrophobicContact CZ-CB 3.68Å
41	S	97.8	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.			trans	-69.4	147.2	167.6	56	0	0	0	0	110.2	D43 G44 Q45 W46	S41-D43 VanDerWaalsContact CB-OD1 3.27Å; S41-D43 WeakPolarHBondContact CB-OD1 3.33Å; S41-D43 PolarHBondContact O-N 2.88Å; S41-D43 PolarHBondContact OG-OD1 2.8Å; S41-G44 PolarHBondContact O-N 3.09Å; S41-Q45 PolarHBondContact OG-N 3.5Å; S41-W46 PolarHBondContact N-O 3.3Å; S41-W46 WeakPolarHBondContact OG-CA 3.16Å; S41-W46 WeakPolarHBondContact OG-CB 3.31Å; S41-W46 PolarHBondContact OG-N 2.89Å; S41-W46 PolarHBondContact OG-O 3.16Å
42	P	97.1	Very high	98.2	Very high	46 Å²	46	30.4 Å²	30.4	30%	0.299	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.7	177.8	-31.4	38	0	0	0	115.1	G44 W82 S83 E84 S86	P42-G44 PolarHBondContact O-N 3.38Å; P42-W82 HydrophobicContact CG-CB 4.35Å; P42-S83 WeakPolarHBondContact CG-O 3.22Å; P42-E84 WeakPolarHBondContact CB-O 3.2Å; P42-S86 VanDerWaalsContact CD-OG 3.3Å; P42-S86 WeakPolarHBondContact CD-OG 3.41Å
43	D	96.6	Very high	98.2	Very high	75 Å²	75	26.7 Å²	26.7	40%	0.401	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.9	174	69.6	2.7	0	0	0	114.3	S41 Q45 S86	S41-D43 VanDerWaalsContact CB-OD1 3.27Å; S41-D43 WeakPolarHBondContact CB-OD1 3.33Å; S41-D43 PolarHBondContact O-N 2.88Å; S41-D43 PolarHBondContact OG-OD1 2.8Å; D43-Q45 HydrophobicContact CB-CG 4.43Å; D43-Q45 PolarHBondContact O-N 3.09Å; D43-Q45 PolarHBondContact O-NE2 3.19Å; D43-Q45 PolarHBondContact OD1-N 2.84Å; D43-S86 WeakPolarHBondContact CB-OG 3.33Å; D43-S86 VanDerWaalsContact CG-CB 3.48Å; D43-S86 VanDerWaalsContact CG-OG 3.27Å; D43-S86 PolarHBondContact N-OG 3.49Å; D43-S86 PolarHBondContact OD1-OG 2.87Å; D43-S86 WeakPolarHBondContact OD2-CB 3.46Å
44	G	96.9	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	70.8	7.1	-179.4	0	0	0	0	0	115.2	S41 P42 A61 H319	S41-G44 PolarHBondContact O-N 3.09Å; P42-G44 PolarHBondContact O-N 3.38Å; G44-A61 VanDerWaalsContact O-CB 3.25Å; G44-A61 WeakPolarHBondContact O-CB 3.41Å; G44-H319 VanDerWaalsContact CA-NE2 3.3Å; G44-H319 WeakPolarHBondContact CA-NE2 3.36Å; G44-H319 PolarHBondContact O-NE2 2.97Å
45	Q	97.1	Very high	98.2	Very high	107 Å²	107	27.8 Å²	27.8	50%	0.5	14%	0.141	S	C	.	.	S	Bend	trans	-86.3	-28.8	-176.6	-60	-51.6	-59.4	0	0	112.8	S41 D43 A61	S41-Q45 PolarHBondContact OG-N 3.5Å; D43-Q45 HydrophobicContact CB-CG 4.43Å; D43-Q45 PolarHBondContact O-N 3.09Å; D43-Q45 PolarHBondContact O-NE2 3.19Å; D43-Q45 PolarHBondContact OD1-N 2.84Å; Q45-A61 WeakPolarHBondContact O-CB 3.4Å; Q45-A61 PolarHBondContact O-N 2.77Å
46	W	97.7	Very high	98.1	Very high	82 Å²	82	27.7 Å²	27.7	31%	0.311	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.1	-168.6	-54.3	106.1	0	0	0	112.7	F40 S41 V58 W59 E67 W82	F40-W46 CarbonylContact C-O 3.54Å; F40-W46 WeakPolarHBondContact CA-O 3.1Å; S41-W46 PolarHBondContact N-O 3.3Å; S41-W46 WeakPolarHBondContact OG-CA 3.16Å; S41-W46 WeakPolarHBondContact OG-CB 3.31Å; S41-W46 PolarHBondContact OG-N 2.89Å; S41-W46 PolarHBondContact OG-O 3.16Å; W46-V58 HydrophobicContact CB-CG1 4.06Å; W46-V58 HydrophobicContact CD2-CG1 4.16Å; W46-V58 HydrophobicContact CE3-CG1 3.85Å; W46-V58 HydrophobicContact CG-CG1 4.28Å; W46-W59 CarbonylContact C-O 3.43Å; W46-W59 WeakPolarHBondContact CA-O 3.19Å; W46-E67 HydrophobicContact CE3-CB 4.35Å; W46-E67 HydrophobicContact CE3-CG 4.24Å; W46-E67 HydrophobicContact CH2-CG 3.91Å; W46-E67 HydrophobicContact CZ3-CB 3.77Å; W46-E67 HydrophobicContact CZ3-CG 3.56Å; W46-W82 HydrophobicContact CB-CH2 3.94Å; W46-W82 HydrophobicContact CB-CZ2 3.88Å; W46-W82 HydrophobicContact CG-CH2 4.44Å
47	L	98.4	Very high	98.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127	164.6	-179.7	67.4	0	0	0	107.4	V38 F40 V58 W59 A326 I336	V38-L47 HydrophobicContact CB-CD1 4.24Å; F40-L47 HydrophobicContact CD1-CB 4.2Å; F40-L47 HydrophobicContact CD1-CD1 3.91Å; F40-L47 HydrophobicContact CD2-CD1 4.33Å; F40-L47 HydrophobicContact CE1-CB 4.2Å; F40-L47 HydrophobicContact CE1-CD1 3.95Å; F40-L47 HydrophobicContact CE2-CD1 4.38Å; F40-L47 HydrophobicContact CG-CD1 4.12Å; F40-L47 HydrophobicContact CZ-CD1 4.19Å; L47-V58 CarbonylContact O-C 3.59Å; L47-V58 WeakPolarHBondContact O-CA 3.33Å; L47-W59 HydrophobicContact CB-CB 4.38Å; L47-W59 PolarHBondContact N-O 2.8Å; L47-W59 VanDerWaalsContact O-CD1 3.27Å; L47-W59 PolarHBondContact O-N 3.42Å; L47-A326 HydrophobicContact CD1-CB 3.79Å; L47-A326 HydrophobicContact CD2-CB 3.89Å; L47-I336 HydrophobicContact CD2-CG2 3.9Å
48	A	98.4	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.7	169.8	0	0	0	0	0	110.3	V38 K39 K57 L80 W82 L89	V38-A48 CarbonylContact C-O 3.54Å; V38-A48 VanDerWaalsContact CA-O 3.28Å; V38-A48 WeakPolarHBondContact CA-O 3.45Å; K39-A48 PolarHBondContact N-O 3.02Å; K39-A48 PolarHBondContact O-N 3.11Å; A48-K57 CarbonylContact C-O 3.58Å; A48-K57 WeakPolarHBondContact CA-O 3.27Å; A48-L80 HydrophobicContact CB-CD1 3.71Å; A48-L80 HydrophobicContact CB-CD2 3.87Å; A48-W82 HydrophobicContact CB-CZ2 3.58Å; A48-L89 HydrophobicContact CB-CD1 4.13Å; A48-L89 HydrophobicContact CB-CD2 4.1Å
49	S	98.7	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.8	174.4	61.3	0	0	0	0	112.5	H31 S37 I56 K57 W59	H31-S49 PolarHBondContact CD2-OG 3.47Å; H31-S49 PolarHBondContact NE2-OG 2.82Å; S37-S49 CarbonylContact O-C 3.54Å; S37-S49 VanDerWaalsContact O-CA 3.24Å; S37-S49 WeakPolarHBondContact O-CA 3.39Å; S49-I56 CarbonylContact O-C 3.53Å; S49-I56 WeakPolarHBondContact O-CA 3.33Å; S49-I56 WeakPolarHBondContact O-CG2 3.05Å; S49-K57 PolarHBondContact N-O 2.77Å; S49-K57 PolarHBondContact O-N 3.34Å; S49-W59 PolarHBondContact OG-NE1 2.97Å
50	A	98.7	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	152.5	173.1	0	0	0	0	0	110.3	I35 S36 S37 V77 L80	I35-A50 WeakPolarHBondContact CA-O 3.23Å; S36-A50 PolarHBondContact N-O 2.92Å; S36-A50 VanDerWaalsContact OG-C 3.24Å; S36-A50 WeakPolarHBondContact OG-CB 3.33Å; S36-A50 PolarHBondContact OG-O 2.53Å; S36-A50 VanDerWaalsContact OG-O 3.11Å; S37-A50 PolarHBondContact O-N 3.06Å; A50-V77 HydrophobicContact CB-CB 3.88Å; A50-V77 HydrophobicContact CB-CG1 3.54Å; A50-L80 HydrophobicContact CB-CB 4.47Å; A50-L80 HydrophobicContact CB-CD2 3.74Å; A50-L80 HydrophobicContact CB-CG 4.42Å; A50-L80 VanDerWaalsContact N-CD2 3.35Å
51	S	98.8	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.5	-177.1	173.9	0	0	0	0	113.5	H31 K33 A34 D53 K54 L55 V77	H31-S51 VanDerWaalsContact CE1-CB 3.43Å; H31-S51 WeakPolarHBondContact CE1-CB 3.09Å; H31-S51 WeakPolarHBondContact ND1-CB 3.1Å; K33-S51 PolarHBondContact O-OG 3.39Å; K33-S51 VanDerWaalsContact O-OG 3.06Å; A34-S51 VanDerWaalsContact O-CA 3.27Å; A34-S51 WeakPolarHBondContact O-CA 3.26Å; A34-S51 WeakPolarHBondContact O-CB 3.08Å; A34-S51 PolarHBondContact O-OG 3.45Å; S51-D53 VanDerWaalsContact CB-OD1 3.26Å; S51-D53 WeakPolarHBondContact CB-OD1 3.41Å; S51-D53 PolarHBondContact O-N 3.09Å; S51-D53 VanDerWaalsContact O-N 3.16Å; S51-D53 VanDerWaalsContact OG-CG 3.3Å; S51-D53 PolarHBondContact OG-N 2.78Å; S51-D53 VanDerWaalsContact OG-N 3.11Å; S51-D53 PolarHBondContact OG-OD1 3.38Å; S51-K54 PolarHBondContact O-N 3.11Å; S51-K54 VanDerWaalsContact O-N 3.11Å; S51-L55 PolarHBondContact N-O 2.84Å; S51-V77 PolarHBondContact O-N 3.43Å
52	A	98.7	Very high	97.8	Very high	40 Å²	40	29.8 Å²	29.8	33%	0.331	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-12	167.6	0	0	0	0	0	113.4	K33 A34 K54	K33-A52 HydrophobicContact CB-CB 3.91Å; K33-A52 HydrophobicContact CD-CB 4.28Å; A34-A52 HydrophobicContact CB-CB 4.41Å; A34-A52 PolarHBondContact O-N 2.8Å; A52-K54 PolarHBondContact O-N 3.02Å
53	D	98.5	Very high	97.8	Very high	18 Å²	18	31.4 Å²	31.4	10%	0.096	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	6.3	171.1	72.6	11	0	0	0	114.2	H31 T32 K33 S51 L55	H31-D53 VanDerWaalsContact CA-OD2 3.31Å; H31-D53 WeakPolarHBondContact CA-OD2 3.09Å; H31-D53 IonicContact CE1-OD1 3.51Å; H31-D53 IonicContact CG-OD2 3.19Å; H31-D53 IonicContact ND1-OD1 2.81Å; H31-D53 PolarHBondContact ND1-OD1 2.82Å; H31-D53 IonicContact ND1-OD2 3.76Å; H31-D53 PolarHBondContact ND1-OD2 3.02Å; T32-D53 PolarHBondContact N-OD2 2.93Å; T32-D53 VanDerWaalsContact OG1-CB 3.26Å; T32-D53 WeakPolarHBondContact OG1-CB 3.14Å; K33-D53 HydrophobicContact CB-CB 4.04Å; K33-D53 HydrophobicContact CG-CB 4.14Å; S51-D53 VanDerWaalsContact CB-OD1 3.26Å; S51-D53 WeakPolarHBondContact CB-OD1 3.41Å; S51-D53 PolarHBondContact O-N 3.09Å; S51-D53 VanDerWaalsContact O-N 3.16Å; S51-D53 VanDerWaalsContact OG-CG 3.3Å; S51-D53 PolarHBondContact OG-N 2.78Å; S51-D53 VanDerWaalsContact OG-N 3.11Å; S51-D53 PolarHBondContact OG-OD1 3.38Å; D53-L55 PolarHBondContact O-N 3.19Å; D53-L55 VanDerWaalsContact OD1-CB 3.24Å; D53-L55 WeakPolarHBondContact OD1-CB 3.25Å; D53-L55 PolarHBondContact OD1-N 3.5Å
54	K	98.2	Very high	97.8	Very high	93 Å²	93	28.3 Å²	28.3	40%	0.404	15%	0.146	S	C	.	.	S	Bend	trans	74.8	4.4	176.4	-38.8	173.2	-179.3	-169.4	0	114	S51 A52 K74 L75	S51-K54 PolarHBondContact O-N 3.11Å; S51-K54 VanDerWaalsContact O-N 3.11Å; A52-K54 PolarHBondContact O-N 3.02Å; K54-K74 WeakPolarHBondContact CD-O 3.28Å; K54-K74 VanDerWaalsContact CE-O 3.25Å; K54-K74 WeakPolarHBondContact CE-O 3.28Å; K54-K74 PolarHBondContact NZ-O 3.34Å; K54-L75 WeakPolarHBondContact CB-O 3.39Å; K54-L75 WeakPolarHBondContact CG-O 3.33Å
55	L	97.9	Very high	97.8	Very high	46 Å²	46	35 Å²	35	24%	0.241	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	152	-176.3	-54	175.4	0	0	0	111	H31 S51 D53 T69 A71	H31-L55 PolarHBondContact CE1-O 2.81Å; S51-L55 PolarHBondContact N-O 2.84Å; D53-L55 PolarHBondContact O-N 3.19Å; D53-L55 VanDerWaalsContact OD1-CB 3.24Å; D53-L55 WeakPolarHBondContact OD1-CB 3.25Å; D53-L55 PolarHBondContact OD1-N 3.5Å; L55-T69 HydrophobicContact CB-CG2 4.12Å; L55-T69 HydrophobicContact CD1-CG2 3.96Å; L55-T69 HydrophobicContact CD2-CG2 3.97Å; L55-T69 HydrophobicContact CG-CG2 4.24Å; L55-A71 HydrophobicContact CD2-CB 3.89Å
56	I	98	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.1	159.3	-56.6	98.4	0	0	0	107.5	S49 T69 I70 V77 L80 L89 T91 F101	S49-I56 CarbonylContact O-C 3.53Å; S49-I56 WeakPolarHBondContact O-CA 3.33Å; S49-I56 WeakPolarHBondContact O-CG2 3.05Å; I56-T69 CarbonylContact O-C 3.57Å; I56-T69 WeakPolarHBondContact O-CA 3.25Å; I56-I70 HydrophobicContact CB-CB 4.16Å; I56-I70 HydrophobicContact CB-CD1 4.44Å; I56-I70 HydrophobicContact CG2-CD1 4.16Å; I56-I70 PolarHBondContact N-O 2.91Å; I56-I70 PolarHBondContact O-N 3.45Å; I56-V77 HydrophobicContact CD1-CG2 4.14Å; I56-V77 HydrophobicContact CG1-CG1 4.37Å; I56-L80 HydrophobicContact CG2-CD2 4.14Å; I56-L89 HydrophobicContact CG2-CD1 4.17Å; I56-T91 HydrophobicContact CD1-CG2 3.74Å; I56-T91 HydrophobicContact CG1-CG2 3.81Å; I56-F101 HydrophobicContact CD1-CE2 4.27Å
57	K	97.3	Very high	97.6	Very high	23 Å²	23	34 Å²	34	10%	0.1	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147	173.5	-68.4	178	-179.6	-78.1	0	110	G30 A48 S49 W59 F66 K68 T69	G30-K57 WeakPolarHBondContact O-CE 2.74Å; A48-K57 CarbonylContact C-O 3.58Å; A48-K57 WeakPolarHBondContact CA-O 3.27Å; S49-K57 PolarHBondContact N-O 2.77Å; S49-K57 PolarHBondContact O-N 3.34Å; K57-W59 HydrophobicContact CB-CH2 4.36Å; K57-W59 HydrophobicContact CB-CZ2 3.5Å; K57-W59 VanDerWaalsContact CB-CZ2 3.5Å; K57-W59 HydrophobicContact CD-CH2 3.74Å; K57-W59 HydrophobicContact CD-CZ2 3.46Å; K57-W59 VanDerWaalsContact CD-CZ2 3.46Å; K57-W59 HydrophobicContact CG-CZ2 4.11Å; K57-F66 HydrophobicContact CB-CE2 4.43Å; K57-F66 HydrophobicContact CD-CE2 4.32Å; K57-F66 HydrophobicContact CG-CE2 4.23Å; K57-K68 WeakPolarHBondContact CA-O 3.44Å; K57-T69 PolarHBondContact NZ-OG1 2.85Å
58	V	97	Very high	97.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.2	176	-176.6	0	0	0	0	108.3	W46 L47 E67 K68 I70 L103	W46-V58 HydrophobicContact CB-CG1 4.06Å; W46-V58 HydrophobicContact CD2-CG1 4.16Å; W46-V58 HydrophobicContact CE3-CG1 3.85Å; W46-V58 HydrophobicContact CG-CG1 4.28Å; L47-V58 CarbonylContact O-C 3.59Å; L47-V58 WeakPolarHBondContact O-CA 3.33Å; V58-E67 HydrophobicContact CB-CB 4.42Å; V58-E67 HydrophobicContact CG1-CB 4.33Å; V58-E67 HydrophobicContact CG1-CG 4.37Å; V58-E67 WeakPolarHBondContact O-CB 3.4Å; V58-E67 PolarHBondContact O-N 2.78Å; V58-K68 HydrophobicContact CB-CG 4.1Å; V58-K68 HydrophobicContact CG2-CG 4.19Å; V58-K68 PolarHBondContact N-O 2.96Å; V58-K68 PolarHBondContact O-N 2.79Å; V58-I70 HydrophobicContact CG2-CD1 4Å; V58-L103 HydrophobicContact CG2-CD1 4.32Å
59	W	97.7	Very high	97.2	Very high	6 Å²	6	36.4 Å²	36.4	2%	0.023	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.1	-174.8	-38.6	88.1	0	0	0	109.6	V28 W46 L47 S49 K57 A61 K65 F66 I336	V28-W59 HydrophobicContact CG1-CD2 3.69Å; V28-W59 HydrophobicContact CG1-CE3 3.19Å; V28-W59 HydrophobicContact CG1-CH2 3.42Å; V28-W59 VanDerWaalsContact CG1-CH2 3.42Å; V28-W59 HydrophobicContact CG1-CZ2 3.9Å; V28-W59 HydrophobicContact CG1-CZ3 3.04Å; W46-W59 CarbonylContact C-O 3.43Å; W46-W59 WeakPolarHBondContact CA-O 3.19Å; L47-W59 HydrophobicContact CB-CB 4.38Å; L47-W59 PolarHBondContact N-O 2.8Å; L47-W59 VanDerWaalsContact O-CD1 3.27Å; L47-W59 PolarHBondContact O-N 3.42Å; S49-W59 PolarHBondContact OG-NE1 2.97Å; K57-W59 HydrophobicContact CB-CH2 4.36Å; K57-W59 HydrophobicContact CB-CZ2 3.5Å; K57-W59 VanDerWaalsContact CB-CZ2 3.5Å; K57-W59 HydrophobicContact CD-CH2 3.74Å; K57-W59 HydrophobicContact CD-CZ2 3.46Å; K57-W59 VanDerWaalsContact CD-CZ2 3.46Å; K57-W59 HydrophobicContact CG-CZ2 4.11Å; W59-A61 PolarHBondContact O-N 3.49Å; W59-K65 CarbonylContact C-O 3.56Å; W59-K65 WeakPolarHBondContact CA-O 3.06Å; W59-F66 HydrophobicContact CE3-CB 3.76Å; W59-F66 AromaticContact CE3-CD2 3.88Å; W59-F66 HydrophobicContact CE3-CD2 3.88Å; W59-F66 HydrophobicContact CE3-CG 4.33Å; W59-F66 HydrophobicContact CH2-CD2 4.06Å; W59-F66 HydrophobicContact CZ3-CB 3.7Å; W59-F66 AromaticContact CZ3-CD2 3.61Å; W59-F66 HydrophobicContact CZ3-CD2 3.61Å; W59-F66 HydrophobicContact CZ3-CG 4.1Å; W59-I336 HydrophobicContact CZ2-CD1 4.34Å
60	G	97.5	Very high	97	Very high	10 Å²	10	36.4 Å²	36.4	10%	0.103	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	126.7	168.7	0	0	0	0	0	110.4	L62 G64 K65	G60-L62 VanDerWaalsContact C-N 3.28Å; G60-L62 PolarHBondContact O-N 2.89Å; G60-G64 VanDerWaalsContact O-CA 3.31Å; G60-G64 WeakPolarHBondContact O-CA 3.36Å; G60-G64 PolarHBondContact O-N 2.86Å; G60-K65 PolarHBondContact N-O 2.84Å
61	A	97.7	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-32.3	-175.1	0	0	0	0	0	113.1	F40 G44 Q45 W59	F40-A61 HydrophobicContact CD1-CB 3.78Å; F40-A61 HydrophobicContact CE1-CB 3.77Å; G44-A61 VanDerWaalsContact O-CB 3.25Å; G44-A61 WeakPolarHBondContact O-CB 3.41Å; Q45-A61 WeakPolarHBondContact O-CB 3.4Å; Q45-A61 PolarHBondContact O-N 2.77Å; W59-A61 PolarHBondContact O-N 3.49Å
62	L	97.2	Very high	96.5	Very high	76 Å²	76	41.2 Å²	41.2	40%	0.398	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-24.7	-172	-57.9	-177.1	0	0	0	114.1	K25 G60 E322 I324	K25-L62 WeakPolarHBondContact CE-O 3.46Å; K25-L62 PolarHBondContact NZ-O 2.81Å; G60-L62 VanDerWaalsContact C-N 3.28Å; G60-L62 PolarHBondContact O-N 2.89Å; L62-E322 HydrophobicContact CD2-CG 4.31Å; L62-I324 HydrophobicContact CD2-CD1 3.7Å
63	D	96.9	Very high	96.4	Very high	80 Å²	80	40 Å²	40	43%	0.428	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-8.8	-175.4	69.1	-1.9	0	0	0	114.1	K65	D63-K65 HydrophobicContact CB-CG 4.39Å; D63-K65 PolarHBondContact O-N 2.85Å; D63-K65 WeakPolarHBondContact OD1-CB 3.23Å; D63-K65 PolarHBondContact OD1-N 2.85Å; D63-K65 WeakPolarHBondContact OD2-CD 3.42Å; D63-K65 WeakPolarHBondContact OD2-CE 3.26Å; D63-K65 VanDerWaalsContact OD2-CG 3.31Å; D63-K65 WeakPolarHBondContact OD2-CG 3.24Å; D63-K65 IonicContact OD2-NZ 3.37Å; D63-K65 PolarHBondContact OD2-NZ 2.84Å
64	G	97	Very high	96.3	Very high	11 Å²	11	46.5 Å²	46.5	11%	0.113	24%	0.243	C	C	.	.			trans	70.1	10.7	179.5	0	0	0	0	0	114.1	F26 V28 G60	F26-G64 VanDerWaalsContact CE2-CA 3.45Å; V28-G64 WeakPolarHBondContact CG2-O 3.31Å; G60-G64 VanDerWaalsContact O-CA 3.31Å; G60-G64 WeakPolarHBondContact O-CA 3.36Å; G60-G64 PolarHBondContact O-N 2.86Å
65	K	96.9	Very high	96.3	Very high	141 Å²	141	45.8 Å²	45.8	61%	0.613	24%	0.244	S	C	*	.			trans	-67.8	136.1	-178.7	-73.9	-175.4	-165.6	158.1	0	110.9	W59 G60 D63 E67	W59-K65 CarbonylContact C-O 3.56Å; W59-K65 WeakPolarHBondContact CA-O 3.06Å; G60-K65 PolarHBondContact N-O 2.84Å; D63-K65 HydrophobicContact CB-CG 4.39Å; D63-K65 PolarHBondContact O-N 2.85Å; D63-K65 WeakPolarHBondContact OD1-CB 3.23Å; D63-K65 PolarHBondContact OD1-N 2.85Å; D63-K65 WeakPolarHBondContact OD2-CD 3.42Å; D63-K65 WeakPolarHBondContact OD2-CE 3.26Å; D63-K65 VanDerWaalsContact OD2-CG 3.31Å; D63-K65 WeakPolarHBondContact OD2-CG 3.24Å; D63-K65 IonicContact OD2-NZ 3.37Å; D63-K65 PolarHBondContact OD2-NZ 2.84Å; K65-E67 PolarHBondContact O-N 2.91Å
66	F	96.4	Very high	96.3	Very high	106 Å²	106	44 Å²	44	47%	0.465	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	130.6	172.9	173.8	-102.6	0	0	0	110.8	K57 W59 K68 T69	K57-F66 HydrophobicContact CB-CE2 4.43Å; K57-F66 HydrophobicContact CD-CE2 4.32Å; K57-F66 HydrophobicContact CG-CE2 4.23Å; W59-F66 HydrophobicContact CE3-CB 3.76Å; W59-F66 AromaticContact CE3-CD2 3.88Å; W59-F66 HydrophobicContact CE3-CD2 3.88Å; W59-F66 HydrophobicContact CE3-CG 4.33Å; W59-F66 HydrophobicContact CH2-CD2 4.06Å; W59-F66 HydrophobicContact CZ3-CB 3.7Å; W59-F66 AromaticContact CZ3-CD2 3.61Å; W59-F66 HydrophobicContact CZ3-CD2 3.61Å; W59-F66 HydrophobicContact CZ3-CG 4.1Å; F66-K68 VanDerWaalsContact CE2-C 3.49Å; F66-K68 WeakPolarHBondContact CE2-O 3.43Å; F66-K68 VanDerWaalsContact CZ-C 3.43Å; F66-T69 WeakPolarHBondContact CE2-OG1 3.44Å; F66-T69 VanDerWaalsContact CZ-OG1 3.31Å; F66-T69 WeakPolarHBondContact CZ-OG1 3.18Å
67	E	93.9	Very high	96.4	Very high	61 Å²	61	44 Å²	44	29%	0.285	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-57.9	-179.4	171.8	59.7	-156.5	0	0	110.9	W46 V58 K65 F109	W46-E67 HydrophobicContact CE3-CB 4.35Å; W46-E67 HydrophobicContact CE3-CG 4.24Å; W46-E67 HydrophobicContact CH2-CG 3.91Å; W46-E67 HydrophobicContact CZ3-CB 3.77Å; W46-E67 HydrophobicContact CZ3-CG 3.56Å; V58-E67 HydrophobicContact CB-CB 4.42Å; V58-E67 HydrophobicContact CG1-CB 4.33Å; V58-E67 HydrophobicContact CG1-CG 4.37Å; V58-E67 WeakPolarHBondContact O-CB 3.4Å; V58-E67 PolarHBondContact O-N 2.78Å; K65-E67 PolarHBondContact O-N 2.91Å; E67-F109 WeakPolarHBondContact OE1-CD1 3.13Å; E67-F109 WeakPolarHBondContact OE1-CE1 3.16Å
68	K	92.8	Very high	96.4	Very high	15 Å²	15	44.4 Å²	44.4	7%	0.065	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	164.8	-179.3	65.6	-165.6	72.9	-167.9	0	113.8	K57 V58 F66 F109	K57-K68 WeakPolarHBondContact CA-O 3.44Å; V58-K68 HydrophobicContact CB-CG 4.1Å; V58-K68 HydrophobicContact CG2-CG 4.19Å; V58-K68 PolarHBondContact N-O 2.96Å; V58-K68 PolarHBondContact O-N 2.79Å; F66-K68 VanDerWaalsContact CE2-C 3.49Å; F66-K68 WeakPolarHBondContact CE2-O 3.43Å; F66-K68 VanDerWaalsContact CZ-C 3.43Å; K68-F109 VanDerWaalsContact CD-O 3.23Å; K68-F109 WeakPolarHBondContact CD-O 3.17Å; K68-F109 WeakPolarHBondContact CE-O 3.49Å; K68-F109 VanDerWaalsContact NZ-CD1 3.34Å; K68-F109 PolarHBondContact NZ-O 3.23Å
69	T	94.9	Very high	96.5	Very high	36 Å²	36	45.4 Å²	45.4	22%	0.221	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.5	172.1	-65.4	0	0	0	0	109.7	L55 I56 K57 F66	L55-T69 HydrophobicContact CB-CG2 4.12Å; L55-T69 HydrophobicContact CD1-CG2 3.96Å; L55-T69 HydrophobicContact CD2-CG2 3.97Å; L55-T69 HydrophobicContact CG-CG2 4.24Å; I56-T69 CarbonylContact O-C 3.57Å; I56-T69 WeakPolarHBondContact O-CA 3.25Å; K57-T69 PolarHBondContact NZ-OG1 2.85Å; F66-T69 WeakPolarHBondContact CE2-OG1 3.44Å; F66-T69 VanDerWaalsContact CZ-OG1 3.31Å; F66-T69 WeakPolarHBondContact CZ-OG1 3.18Å
70	I	94.8	Very high	96.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.2	176.3	-53.4	158.3	0	0	0	107.3	I56 V58 L89 F101 L103	I56-I70 HydrophobicContact CB-CB 4.16Å; I56-I70 HydrophobicContact CB-CD1 4.44Å; I56-I70 HydrophobicContact CG2-CD1 4.16Å; I56-I70 PolarHBondContact N-O 2.91Å; I56-I70 PolarHBondContact O-N 3.45Å; V58-I70 HydrophobicContact CG2-CD1 4Å; I70-L89 HydrophobicContact CD1-CD1 3.82Å; I70-F101 HydrophobicContact CG2-CB 4.25Å; I70-F101 HydrophobicContact CG2-CD1 3.36Å; I70-F101 HydrophobicContact CG2-CD2 4.19Å; I70-F101 HydrophobicContact CG2-CE1 3.6Å; I70-F101 HydrophobicContact CG2-CE2 4.38Å; I70-F101 HydrophobicContact CG2-CG 3.68Å; I70-F101 HydrophobicContact CG2-CZ 4.11Å; I70-L103 HydrophobicContact CD1-CD2 3.41Å; I70-L103 VanDerWaalsContact CD1-CD2 3.41Å; I70-L103 HydrophobicContact CG1-CD2 4.2Å
71	A	94.1	Very high	96.6	Very high	66 Å²	66	45.4 Å²	45.4	55%	0.545	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	153.9	176.9	0	0	0	0	0	110.2	L55	L55-A71 HydrophobicContact CD2-CB 3.89Å
72	G	92.1	Very high	96.6	Very high	34 Å²	34	46 Å²	46	35%	0.351	25%	0.246	S	C	.	.			trans	162.3	-16.3	175.1	0	0	0	0	0	115.2	K99	G72-K99 PolarHBondContact O-NZ 3.35Å
73	H	97	Very high	96.6	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.065	23%	0.227	C	C	.	.			trans	-81.7	147	170.9	-74.7	-79.6	0	0	0	112.7	V77 T91 S93 D95 K99	H73-V77 HydrophobicContact CB-CG2 4.07Å; H73-T91 PolarHBondContact NE2-OG1 2.85Å; H73-S93 WeakPolarHBondContact CE1-CB 3.34Å; H73-S93 WeakPolarHBondContact ND1-CB 3.25Å; H73-S93 PolarHBondContact ND1-OG 2.64Å; H73-D95 WeakPolarHBondContact CA-OD2 3.5Å; H73-D95 IonicContact CE1-OD1 2.81Å; H73-D95 IonicContact CG-OD2 3.89Å; H73-D95 VanDerWaalsContact ND1-CG 3.32Å; H73-D95 IonicContact ND1-OD1 3.23Å; H73-D95 PolarHBondContact ND1-OD1 3.08Å; H73-D95 IonicContact ND1-OD2 3.92Å; H73-D95 PolarHBondContact ND1-OD2 2.95Å; H73-D95 VanDerWaalsContact ND1-OD2 3.1Å; H73-K99 PolarHBondContact ND1-NZ 2.93Å; H73-K99 VanDerWaalsContact ND1-NZ 3.16Å
74	K	97.4	Very high	96.5	Very high	155 Å²	155	44.4 Å²	44.4	67%	0.674	23%	0.234	S	C	*	.	S	Bend	trans	-86.8	-23.8	178.9	-64.4	-174.2	177.3	-173.8	0	112.4	K54 D95	K54-K74 WeakPolarHBondContact CD-O 3.28Å; K54-K74 VanDerWaalsContact CE-O 3.25Å; K54-K74 WeakPolarHBondContact CE-O 3.28Å; K54-K74 PolarHBondContact NZ-O 3.34Å; K74-D95 HydrophobicContact CB-CB 4.02Å; K74-D95 PolarHBondContact N-OD2 2.94Å
75	L	98.4	Very high	96.4	Very high	79 Å²	79	48.5 Å²	48.5	41%	0.414	25%	0.253	S	S	.	.	S	Bend	trans	-132.6	-177.1	179.8	-61.2	176.6	0	0	0	110	K54 S93 D94 D95	K54-L75 WeakPolarHBondContact CB-O 3.39Å; K54-L75 WeakPolarHBondContact CG-O 3.33Å; L75-S93 PolarHBondContact O-OG 3.32Å; L75-D94 HydrophobicContact CB-CB 3.64Å; L75-D94 HydrophobicContact CD1-CB 4.05Å; L75-D95 HydrophobicContact CB-CB 4.22Å; L75-D95 HydrophobicContact CG-CB 4.35Å
76	G	98.2	Very high	96.3	Very high	7 Å²	7	42.3 Å²	42.3	7%	0.072	23%	0.228	C	C	.	.			trans	-56.9	148.4	-175	0	0	0	0	0	112.6	S93 D94	G76-S93 VanDerWaalsContact O-CA 3.28Å; G76-S93 WeakPolarHBondContact O-CA 3.38Å; G76-S93 VanDerWaalsContact O-CB 3.26Å; G76-S93 WeakPolarHBondContact O-CB 3.24Å; G76-S93 PolarHBondContact O-OG 3.06Å; G76-D94 PolarHBondContact O-N 3.06Å; G76-D94 VanDerWaalsContact O-N 3.08Å
77	V	98.8	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126	174.2	-173.7	0	0	0	0	107.4	S36 A50 S51 I56 H73 T91 A92	S36-V77 VanDerWaalsContact CB-O 3.29Å; S36-V77 WeakPolarHBondContact CB-O 3.22Å; S36-V77 PolarHBondContact OG-O 3.24Å; A50-V77 HydrophobicContact CB-CB 3.88Å; A50-V77 HydrophobicContact CB-CG1 3.54Å; S51-V77 PolarHBondContact O-N 3.43Å; I56-V77 HydrophobicContact CD1-CG2 4.14Å; I56-V77 HydrophobicContact CG1-CG1 4.37Å; H73-V77 HydrophobicContact CB-CG2 4.07Å; V77-T91 HydrophobicContact CG1-CG2 4.42Å; V77-A92 CarbonylContact C-O 3.52Å; V77-A92 WeakPolarHBondContact CA-O 3.48Å; V77-A92 WeakPolarHBondContact CG1-O 3.39Å
78	N	98.7	Very high	96.2	Very high	33 Å²	33	40.8 Å²	40.8	18%	0.176	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-34.9	-174.2	-66.4	-46.4	0	0	0	112.6	S36 A92 D94 S125 F126	S36-N78 VanDerWaalsContact CB-O 3.32Å; S36-N78 WeakPolarHBondContact CB-O 3.2Å; S36-N78 PolarHBondContact OG-O 2.81Å; N78-A92 PolarHBondContact N-O 2.82Å; N78-D94 PolarHBondContact ND2-N 3.34Å; N78-D94 PolarHBondContact ND2-OD1 3.3Å; N78-D94 PolarHBondContact OD1-OD1 3.11Å; N78-S125 PolarHBondContact ND2-O 2.69Å; N78-F126 HydrophobicContact CB-CD2 4.13Å; N78-F126 VanDerWaalsContact CB-O 3.24Å; N78-F126 WeakPolarHBondContact CB-O 3.48Å
79	D	98.7	Very high	96.4	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.8	179	-164.2	18.2	0	0	0	111.3	S37 K39 T91 A92 F126 C128	S37-D79 WeakPolarHBondContact CB-OD1 3.3Å; S37-D79 PolarHBondContact OG-OD1 3.07Å; K39-D79 IonicContact NZ-OD1 3.85Å; K39-D79 PolarHBondContact NZ-OD1 3Å; K39-D79 IonicContact NZ-OD2 3.5Å; D79-T91 WeakPolarHBondContact O-CA 3.3Å; D79-A92 PolarHBondContact O-N 2.95Å; D79-F126 WeakPolarHBondContact CB-O 3.3Å; D79-C128 PolarHBondContact OD2-N 3.5Å
80	L	98.4	Very high	96.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	155.7	172.2	70	86.8	0	0	0	110.9	K39 A48 A50 I56 L89 C90 T91	K39-L80 HydrophobicContact CB-CD1 3.64Å; K39-L80 HydrophobicContact CG-CD1 3.51Å; K39-L80 HydrophobicContact CG-CG 4.24Å; K39-L80 WeakPolarHBondContact CG-O 3.39Å; K39-L80 PolarHBondContact NZ-O 2.93Å; A48-L80 HydrophobicContact CB-CD1 3.71Å; A48-L80 HydrophobicContact CB-CD2 3.87Å; A50-L80 HydrophobicContact CB-CB 4.47Å; A50-L80 HydrophobicContact CB-CD2 3.74Å; A50-L80 HydrophobicContact CB-CG 4.42Å; A50-L80 VanDerWaalsContact N-CD2 3.35Å; I56-L80 HydrophobicContact CG2-CD2 4.14Å; L80-L89 HydrophobicContact CD1-CD2 4.03Å; L80-C90 CarbonylContact C-O 3.57Å; L80-C90 WeakPolarHBondContact CA-O 3.33Å; L80-T91 HydrophobicContact CB-CG2 4.03Å
81	C	98.2	Very high	96.7	Very high	15 Å²	15	38.3 Å²	38.3	10%	0.101	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	145	172.7	175.1	0	0	0	0	110.5	L89 C90 N129 F130	C81-L89 CarbonylContact O-C 3.58Å; C81-L89 WeakPolarHBondContact O-CA 3.33Å; C81-C90 PolarHBondContact N-O 3.3Å; C81-C90 PolarHBondContact O-N 3.05Å; C81-N129 PolarHBondContact SG-OD1 3.2Å; C81-F130 WeakPolarHBondContact O-CE2 3.41Å
82	W	97.9	Very high	96.9	Very high	12 Å²	12	35.2 Å²	35.2	5%	0.045	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	147.4	175.9	-70.9	98.2	0	0	0	111	K39 F40 P42 W46 A48 S86 L88 L89 L103 F130	K39-W82 PolarHBondContact O-NE1 3.38Å; F40-W82 VanDerWaalsContact O-CD1 3.25Å; P42-W82 HydrophobicContact CG-CB 4.35Å; W46-W82 HydrophobicContact CB-CH2 3.94Å; W46-W82 HydrophobicContact CB-CZ2 3.88Å; W46-W82 HydrophobicContact CG-CH2 4.44Å; A48-W82 HydrophobicContact CB-CZ2 3.58Å; W82-S86 VanDerWaalsContact CZ3-O 3.25Å; W82-S86 WeakPolarHBondContact CZ3-O 3.5Å; W82-L88 WeakPolarHBondContact CA-O 3.3Å; W82-L89 HydrophobicContact CB-CD2 4.49Å; W82-L89 HydrophobicContact CD2-CD2 3.41Å; W82-L89 VanDerWaalsContact CD2-CD2 3.41Å; W82-L89 HydrophobicContact CD2-CG 4.1Å; W82-L89 HydrophobicContact CE3-CD2 3.79Å; W82-L89 HydrophobicContact CE3-CG 3.96Å; W82-L89 HydrophobicContact CG-CD2 3.73Å; W82-L89 HydrophobicContact CH2-CD1 4.34Å; W82-L89 HydrophobicContact CH2-CD2 4.48Å; W82-L89 HydrophobicContact CH2-CG 4.37Å; W82-L89 HydrophobicContact CZ2-CD1 4.4Å; W82-L89 HydrophobicContact CZ2-CD2 4.15Å; W82-L89 HydrophobicContact CZ2-CG 4.48Å; W82-L89 HydrophobicContact CZ3-CD2 4.32Å; W82-L89 HydrophobicContact CZ3-CG 4.12Å; W82-L103 HydrophobicContact CE3-CD1 4.48Å; W82-L103 HydrophobicContact CH2-CD1 3.36Å; W82-L103 HydrophobicContact CZ3-CD1 3.34Å; W82-L103 HydrophobicContact CZ3-CG 4.48Å; W82-F130 VanDerWaalsContact C-CD2 3.45Å; W82-F130 WeakPolarHBondContact O-CD2 3.36Å
83	S	97.1	Very high	97.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.			trans	-70.9	154	160.1	54.5	0	0	0	0	110.6	P42 D85 S86 R87 L88	P42-S83 WeakPolarHBondContact CG-O 3.22Å; S83-D85 VanDerWaalsContact CB-OD1 3.31Å; S83-D85 WeakPolarHBondContact CB-OD1 3.31Å; S83-D85 PolarHBondContact O-N 2.82Å; S83-D85 VanDerWaalsContact O-N 3.16Å; S83-D85 PolarHBondContact OG-OD1 2.92Å; S83-S86 WeakPolarHBondContact O-CA 3.5Å; S83-S86 PolarHBondContact O-N 2.85Å; S83-R87 PolarHBondContact OG-N 3.3Å; S83-L88 PolarHBondContact N-O 3.24Å; S83-L88 WeakPolarHBondContact OG-CA 3.5Å; S83-L88 WeakPolarHBondContact OG-CB 3.4Å; S83-L88 PolarHBondContact OG-N 3.06Å; S83-L88 PolarHBondContact OG-O 3.3Å
84	E	95.2	Very high	97.3	Very high	123 Å²	123	34.9 Å²	34.9	58%	0.575	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.8	-178.8	-73.2	-64.1	145.3	0	0	113.8	P42 S86 P132	P42-E84 WeakPolarHBondContact CB-O 3.2Å; E84-S86 PolarHBondContact O-N 2.6Å; E84-P132 VanDerWaalsContact CG-O 3.31Å; E84-P132 WeakPolarHBondContact CG-O 3.48Å
85	D	94.1	Very high	97.3	Very high	97 Å²	97	28.5 Å²	28.5	52%	0.519	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5	174.7	71.7	-11.7	0	0	0	113.9	S83 R87	S83-D85 VanDerWaalsContact CB-OD1 3.31Å; S83-D85 WeakPolarHBondContact CB-OD1 3.31Å; S83-D85 PolarHBondContact O-N 2.82Å; S83-D85 VanDerWaalsContact O-N 3.16Å; S83-D85 PolarHBondContact OG-OD1 2.92Å; D85-R87 PolarHBondContact O-N 3.28Å; D85-R87 VanDerWaalsContact O-N 3.1Å; D85-R87 WeakPolarHBondContact OD1-CB 3.48Å; D85-R87 PolarHBondContact OD1-N 2.91Å; D85-R87 VanDerWaalsContact OD1-N 3.11Å
86	S	94.8	Very high	97.3	Very high	11 Å²	11	29.2 Å²	29.2	8%	0.077	14%	0.142	C	C	.	.	S	Bend	trans	58.8	17.4	-178.7	-53.6	0	0	0	0	115	P42 D43 W82 S83 E84	P42-S86 VanDerWaalsContact CD-OG 3.3Å; P42-S86 WeakPolarHBondContact CD-OG 3.41Å; D43-S86 WeakPolarHBondContact CB-OG 3.33Å; D43-S86 VanDerWaalsContact CG-CB 3.48Å; D43-S86 VanDerWaalsContact CG-OG 3.27Å; D43-S86 PolarHBondContact N-OG 3.49Å; D43-S86 PolarHBondContact OD1-OG 2.87Å; D43-S86 WeakPolarHBondContact OD2-CB 3.46Å; W82-S86 VanDerWaalsContact CZ3-O 3.25Å; W82-S86 WeakPolarHBondContact CZ3-O 3.5Å; S83-S86 WeakPolarHBondContact O-CA 3.5Å; S83-S86 PolarHBondContact O-N 2.85Å; E84-S86 PolarHBondContact O-N 2.6Å
87	R	93.2	Very high	97.3	Very high	110 Å²	110	29 Å²	29	42%	0.415	14%	0.139	S	C	.	.			trans	-95.3	-41.3	-176.1	-179.9	-179.8	170	-178.7	-1.4	113.6	S83 D85 D102 L103 A104 T105	S83-R87 PolarHBondContact OG-N 3.3Å; D85-R87 PolarHBondContact O-N 3.28Å; D85-R87 VanDerWaalsContact O-N 3.1Å; D85-R87 WeakPolarHBondContact OD1-CB 3.48Å; D85-R87 PolarHBondContact OD1-N 2.91Å; D85-R87 VanDerWaalsContact OD1-N 3.11Å; R87-D102 WeakPolarHBondContact CG-OD1 3.49Å; R87-D102 IonicContact CZ-OD1 2.89Å; R87-D102 IonicContact CZ-OD2 3.04Å; R87-D102 IonicContact NE-OD1 2.93Å; R87-D102 PolarHBondContact NE-OD1 3.39Å; R87-D102 IonicContact NE-OD2 3.99Å; R87-D102 PolarHBondContact NE-OD2 3.31Å; R87-D102 IonicContact NH2-OD1 3.58Å; R87-D102 IonicContact NH2-OD2 3.65Å; R87-D102 PolarHBondContact NH2-OD2 3.24Å; R87-L103 WeakPolarHBondContact O-CB 3.36Å; R87-L103 PolarHBondContact O-N 2.89Å; R87-A104 HydrophobicContact CG-CB 3.96Å; R87-T105 PolarHBondContact NH2-OG1 2.89Å
88	L	95.1	Very high	97.3	Very high	25 Å²	25	29 Å²	29	13%	0.131	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.3	-173.1	-53.6	179	0	0	0	110.7	W82 S83 I100 F101 D102 F130 V151	W82-L88 WeakPolarHBondContact CA-O 3.3Å; S83-L88 PolarHBondContact N-O 3.24Å; S83-L88 WeakPolarHBondContact OG-CA 3.5Å; S83-L88 WeakPolarHBondContact OG-CB 3.4Å; S83-L88 PolarHBondContact OG-N 3.06Å; S83-L88 PolarHBondContact OG-O 3.3Å; L88-I100 HydrophobicContact CB-CG2 4.23Å; L88-I100 HydrophobicContact CD1-CG2 4.32Å; L88-I100 HydrophobicContact CD2-CG2 4.39Å; L88-F101 CarbonylContact C-O 3.54Å; L88-F101 VanDerWaalsContact CA-O 3.3Å; L88-F101 WeakPolarHBondContact CA-O 3.41Å; L88-D102 HydrophobicContact CD2-CB 3.67Å; L88-F130 HydrophobicContact CB-CE2 4.29Å; L88-F130 HydrophobicContact CB-CZ 3.83Å; L88-V151 HydrophobicContact CD1-CG1 4.43Å
89	L	97	Very high	97.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.6	166.8	-80.7	173.6	0	0	0	109.3	A48 I56 I70 L80 C81 W82 I100 F101 L103	A48-L89 HydrophobicContact CB-CD1 4.13Å; A48-L89 HydrophobicContact CB-CD2 4.1Å; I56-L89 HydrophobicContact CG2-CD1 4.17Å; I70-L89 HydrophobicContact CD1-CD1 3.82Å; L80-L89 HydrophobicContact CD1-CD2 4.03Å; C81-L89 CarbonylContact O-C 3.58Å; C81-L89 WeakPolarHBondContact O-CA 3.33Å; W82-L89 HydrophobicContact CB-CD2 4.49Å; W82-L89 HydrophobicContact CD2-CD2 3.41Å; W82-L89 VanDerWaalsContact CD2-CD2 3.41Å; W82-L89 HydrophobicContact CD2-CG 4.1Å; W82-L89 HydrophobicContact CE3-CD2 3.79Å; W82-L89 HydrophobicContact CE3-CG 3.96Å; W82-L89 HydrophobicContact CG-CD2 3.73Å; W82-L89 HydrophobicContact CH2-CD1 4.34Å; W82-L89 HydrophobicContact CH2-CD2 4.48Å; W82-L89 HydrophobicContact CH2-CG 4.37Å; W82-L89 HydrophobicContact CZ2-CD1 4.4Å; W82-L89 HydrophobicContact CZ2-CD2 4.15Å; W82-L89 HydrophobicContact CZ2-CG 4.48Å; W82-L89 HydrophobicContact CZ3-CD2 4.32Å; W82-L89 HydrophobicContact CZ3-CG 4.12Å; L89-I100 CarbonylContact O-C 3.56Å; L89-I100 VanDerWaalsContact O-CA 3.27Å; L89-I100 WeakPolarHBondContact O-CA 3.25Å; L89-F101 PolarHBondContact N-O 2.89Å; L89-F101 PolarHBondContact O-N 2.83Å; L89-L103 HydrophobicContact CD1-CD1 3.85Å; L89-L103 HydrophobicContact CD1-CD2 4.36Å; L89-L103 HydrophobicContact CD1-CG 4.47Å; L89-L103 HydrophobicContact CG-CD1 4.21Å
90	C	97.7	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	147.6	162.9	75	0	0	0	0	109.4	L80 C81 K99 I100 F130 V137	L80-C90 CarbonylContact C-O 3.57Å; L80-C90 WeakPolarHBondContact CA-O 3.33Å; C81-C90 PolarHBondContact N-O 3.3Å; C81-C90 PolarHBondContact O-N 3.05Å; C90-K99 CarbonylContact C-O 3.53Å; C90-K99 VanDerWaalsContact CA-O 3.26Å; C90-K99 WeakPolarHBondContact CA-O 3.31Å; C90-I100 HydrophobicContact CB-CG1 4.26Å; C90-F130 HydrophobicContact CB-CD2 4.03Å; C90-F130 HydrophobicContact CB-CE1 4.32Å; C90-F130 HydrophobicContact CB-CE2 3.47Å; C90-F130 VanDerWaalsContact CB-CE2 3.47Å; C90-F130 HydrophobicContact CB-CZ 3.62Å; C90-F130 VanDerWaalsContact SG-CD2 3.55Å; C90-V137 HydrophobicContact CB-CG1 4.26Å; C90-V137 HydrophobicContact CB-CG2 4Å
91	T	98.5	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138.1	-170.3	48.6	0	0	0	0	109.9	I56 H73 V77 D79 L80 V98 K99 F101	I56-T91 HydrophobicContact CD1-CG2 3.74Å; I56-T91 HydrophobicContact CG1-CG2 3.81Å; H73-T91 PolarHBondContact NE2-OG1 2.85Å; V77-T91 HydrophobicContact CG1-CG2 4.42Å; D79-T91 WeakPolarHBondContact O-CA 3.3Å; L80-T91 HydrophobicContact CB-CG2 4.03Å; T91-V98 CarbonylContact O-C 3.55Å; T91-V98 WeakPolarHBondContact O-CA 3.5Å; T91-V98 WeakPolarHBondContact O-CG1 3.3Å; T91-K99 PolarHBondContact N-O 2.83Å; T91-K99 PolarHBondContact O-N 2.84Å; T91-K99 PolarHBondContact OG1-O 3.26Å; T91-F101 HydrophobicContact CG2-CD2 4.34Å; T91-F101 HydrophobicContact CG2-CE2 4.28Å; T91-F101 WeakPolarHBondContact OG1-CE2 3.47Å
92	A	98.7	Very high	96.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.3	177.9	0	0	0	0	0	110.3	V77 N78 D79 V98 S125 C128	V77-A92 CarbonylContact C-O 3.52Å; V77-A92 WeakPolarHBondContact CA-O 3.48Å; V77-A92 WeakPolarHBondContact CG1-O 3.39Å; N78-A92 PolarHBondContact N-O 2.82Å; D79-A92 PolarHBondContact O-N 2.95Å; A92-V98 HydrophobicContact CB-CG2 4.44Å; A92-S125 CarbonylContact C-O 3.56Å; A92-C128 HydrophobicContact CB-CB 4.04Å
93	S	98.7	Very high	96.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.4	-171.2	175.8	0	0	0	0	113.9	H73 L75 G76 D95 K96 C97 S125	H73-S93 WeakPolarHBondContact CE1-CB 3.34Å; H73-S93 WeakPolarHBondContact ND1-CB 3.25Å; H73-S93 PolarHBondContact ND1-OG 2.64Å; L75-S93 PolarHBondContact O-OG 3.32Å; G76-S93 VanDerWaalsContact O-CA 3.28Å; G76-S93 WeakPolarHBondContact O-CA 3.38Å; G76-S93 VanDerWaalsContact O-CB 3.26Å; G76-S93 WeakPolarHBondContact O-CB 3.24Å; G76-S93 PolarHBondContact O-OG 3.06Å; S93-D95 VanDerWaalsContact CB-OD1 3.29Å; S93-D95 WeakPolarHBondContact CB-OD1 3.38Å; S93-D95 PolarHBondContact O-N 2.91Å; S93-D95 VanDerWaalsContact O-N 3.14Å; S93-D95 PolarHBondContact OG-N 3.43Å; S93-D95 PolarHBondContact OG-OD1 3.36Å; S93-K96 PolarHBondContact O-N 3.16Å; S93-K96 VanDerWaalsContact O-N 3.08Å; S93-C97 PolarHBondContact N-O 3.1Å; S93-S125 CarbonylContact C-O 3.57Å; S93-S125 PolarHBondContact N-O 3.05Å; S93-S125 PolarHBondContact O-N 3.08Å; S93-S125 VanDerWaalsContact O-N 3.1Å
94	D	98.7	Very high	95.3	Very high	41 Å²	41	30.3 Å²	30.3	22%	0.219	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.1	169.1	-64.8	-19.7	0	0	0	113	L75 G76 N78 K96 Y124	L75-D94 HydrophobicContact CB-CB 3.64Å; L75-D94 HydrophobicContact CD1-CB 4.05Å; G76-D94 PolarHBondContact O-N 3.06Å; G76-D94 VanDerWaalsContact O-N 3.08Å; N78-D94 PolarHBondContact ND2-N 3.34Å; N78-D94 PolarHBondContact ND2-OD1 3.3Å; N78-D94 PolarHBondContact OD1-OD1 3.11Å; D94-K96 PolarHBondContact O-N 2.56Å; D94-Y124 HydrophobicContact CB-CD1 3.85Å; D94-Y124 HydrophobicContact CB-CE1 4.15Å; D94-Y124 HydrophobicContact CB-CG 4.33Å; D94-Y124 WeakPolarHBondContact O-CD1 3.5Å
95	D	98.2	Very high	93.6	Very high	22 Å²	22	27.8 Å²	27.8	12%	0.118	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	12.8	171.8	77.8	-1.3	0	0	0	113.9	H73 K74 L75 S93 C97 K99	H73-D95 WeakPolarHBondContact CA-OD2 3.5Å; H73-D95 IonicContact CE1-OD1 2.81Å; H73-D95 IonicContact CG-OD2 3.89Å; H73-D95 VanDerWaalsContact ND1-CG 3.32Å; H73-D95 IonicContact ND1-OD1 3.23Å; H73-D95 PolarHBondContact ND1-OD1 3.08Å; H73-D95 IonicContact ND1-OD2 3.92Å; H73-D95 PolarHBondContact ND1-OD2 2.95Å; H73-D95 VanDerWaalsContact ND1-OD2 3.1Å; K74-D95 HydrophobicContact CB-CB 4.02Å; K74-D95 PolarHBondContact N-OD2 2.94Å; L75-D95 HydrophobicContact CB-CB 4.22Å; L75-D95 HydrophobicContact CG-CB 4.35Å; S93-D95 VanDerWaalsContact CB-OD1 3.29Å; S93-D95 WeakPolarHBondContact CB-OD1 3.38Å; S93-D95 PolarHBondContact O-N 2.91Å; S93-D95 VanDerWaalsContact O-N 3.14Å; S93-D95 PolarHBondContact OG-N 3.43Å; S93-D95 PolarHBondContact OG-OD1 3.36Å; D95-C97 PolarHBondContact O-N 3.02Å; D95-C97 PolarHBondContact O-SG 2.89Å; D95-C97 VanDerWaalsContact OD1-CB 3.31Å; D95-C97 WeakPolarHBondContact OD1-CB 3.37Å; D95-C97 PolarHBondContact OD1-N 2.98Å; D95-K99 IonicContact OD1-NZ 3.73Å; D95-K99 IonicContact OD2-NZ 3.35Å; D95-K99 PolarHBondContact OD2-NZ 2.8Å
96	K	98.3	Very high	91.6	Very high	94 Å²	94	23.9 Å²	23.9	41%	0.409	13%	0.13	S	C	.	.	S	Bend	trans	63.3	16.7	176.5	-44.2	-177.4	177.9	-167.2	0	113.5	S93 D94 T122 H123	S93-K96 PolarHBondContact O-N 3.16Å; S93-K96 VanDerWaalsContact O-N 3.08Å; D94-K96 PolarHBondContact O-N 2.56Å; K96-T122 WeakPolarHBondContact CD-O 3.26Å; K96-T122 WeakPolarHBondContact CE-O 3.28Å; K96-T122 PolarHBondContact NZ-O 2.77Å; K96-H123 WeakPolarHBondContact CB-O 3.37Å; K96-H123 WeakPolarHBondContact CG-O 3.3Å
97	C	97.4	Very high	89.1	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149	-177.1	-57.2	0	0	0	0	110.5	S93 D95 F118 R119	S93-C97 PolarHBondContact N-O 3.1Å; D95-C97 PolarHBondContact O-N 3.02Å; D95-C97 PolarHBondContact O-SG 2.89Å; D95-C97 VanDerWaalsContact OD1-CB 3.31Å; D95-C97 WeakPolarHBondContact OD1-CB 3.37Å; D95-C97 PolarHBondContact OD1-N 2.98Å; C97-F118 WeakPolarHBondContact CA-O 3.29Å; C97-R119 PolarHBondContact SG-NH1 2.81Å
98	V	98.1	Very high	86.9	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.7	162.2	-179.3	0	0	0	0	107.8	T91 A92 F118 C128 V137	T91-V98 CarbonylContact O-C 3.55Å; T91-V98 WeakPolarHBondContact O-CA 3.5Å; T91-V98 WeakPolarHBondContact O-CG1 3.3Å; A92-V98 HydrophobicContact CB-CG2 4.44Å; V98-F118 HydrophobicContact CB-CB 4.19Å; V98-F118 HydrophobicContact CB-CD2 3.9Å; V98-F118 HydrophobicContact CG1-CD2 3.89Å; V98-F118 HydrophobicContact CG1-CE2 4.48Å; V98-F118 PolarHBondContact N-O 2.87Å; V98-F118 WeakPolarHBondContact O-CB 3.43Å; V98-F118 WeakPolarHBondContact O-CD2 3.32Å; V98-F118 PolarHBondContact O-N 3.17Å; V98-C128 HydrophobicContact CG1-CB 4.36Å; V98-V137 HydrophobicContact CG1-CG1 4.01Å
99	K	97.6	Very high	84.6	Confident	5 Å²	5	35.2 Å²	35.2	2%	0.022	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.1	-178.4	-69.1	179.2	-172.1	142.3	0	111.4	G72 H73 C90 T91 D95 F101 R116	G72-K99 PolarHBondContact O-NZ 3.35Å; H73-K99 PolarHBondContact ND1-NZ 2.93Å; H73-K99 VanDerWaalsContact ND1-NZ 3.16Å; C90-K99 CarbonylContact C-O 3.53Å; C90-K99 VanDerWaalsContact CA-O 3.26Å; C90-K99 WeakPolarHBondContact CA-O 3.31Å; T91-K99 PolarHBondContact N-O 2.83Å; T91-K99 PolarHBondContact O-N 2.84Å; T91-K99 PolarHBondContact OG1-O 3.26Å; D95-K99 IonicContact OD1-NZ 3.73Å; D95-K99 IonicContact OD2-NZ 3.35Å; D95-K99 PolarHBondContact OD2-NZ 2.8Å; K99-F101 HydrophobicContact CB-CD2 4.39Å; K99-F101 HydrophobicContact CB-CE2 3.66Å; K99-F101 HydrophobicContact CB-CZ 4.02Å; K99-F101 HydrophobicContact CD-CZ 4.18Å; K99-R116 WeakPolarHBondContact CA-O 3.49Å
100	I	96.8	Very high	82.4	Confident	2 Å²	2	39 Å²	39	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131	171.8	-59.8	179.3	0	0	0	109.2	L88 L89 C90 R114 I115 R116 F118 F130 V137 V151	L88-I100 HydrophobicContact CB-CG2 4.23Å; L88-I100 HydrophobicContact CD1-CG2 4.32Å; L88-I100 HydrophobicContact CD2-CG2 4.39Å; L89-I100 CarbonylContact O-C 3.56Å; L89-I100 VanDerWaalsContact O-CA 3.27Å; L89-I100 WeakPolarHBondContact O-CA 3.25Å; C90-I100 HydrophobicContact CB-CG1 4.26Å; I100-R114 CarbonylContact O-C 3.51Å; I100-R114 WeakPolarHBondContact O-CA 3.34Å; I100-I115 PolarHBondContact O-N 2.99Å; I100-R116 HydrophobicContact CB-CB 4.16Å; I100-R116 HydrophobicContact CD1-CB 4.4Å; I100-R116 HydrophobicContact CG1-CB 4.39Å; I100-R116 PolarHBondContact N-O 3.36Å; I100-R116 VanDerWaalsContact N-O 3.08Å; I100-R116 PolarHBondContact O-N 3.29Å; I100-F118 HydrophobicContact CD1-CE2 3.53Å; I100-F118 HydrophobicContact CD1-CZ 3.59Å; I100-F118 HydrophobicContact CG1-CE2 3.68Å; I100-F118 HydrophobicContact CG1-CZ 4.21Å; I100-F130 HydrophobicContact CD1-CE1 4.14Å; I100-F130 HydrophobicContact CD1-CZ 4.35Å; I100-F130 HydrophobicContact CG1-CZ 4.39Å; I100-F130 HydrophobicContact CG2-CZ 4.35Å; I100-V137 HydrophobicContact CD1-CG2 4.08Å; I100-V151 HydrophobicContact CD1-CB 4.16Å; I100-V151 HydrophobicContact CD1-CG1 3.77Å; I100-V151 HydrophobicContact CD1-CG2 3.84Å
101	F	94.9	Very high	80.8	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.4	174.5	-60.1	-90.2	0	0	0	109.8	I56 I70 L88 L89 T91 K99 K113 R114	I56-F101 HydrophobicContact CD1-CE2 4.27Å; I70-F101 HydrophobicContact CG2-CB 4.25Å; I70-F101 HydrophobicContact CG2-CD1 3.36Å; I70-F101 HydrophobicContact CG2-CD2 4.19Å; I70-F101 HydrophobicContact CG2-CE1 3.6Å; I70-F101 HydrophobicContact CG2-CE2 4.38Å; I70-F101 HydrophobicContact CG2-CG 3.68Å; I70-F101 HydrophobicContact CG2-CZ 4.11Å; L88-F101 CarbonylContact C-O 3.54Å; L88-F101 VanDerWaalsContact CA-O 3.3Å; L88-F101 WeakPolarHBondContact CA-O 3.41Å; L89-F101 PolarHBondContact N-O 2.89Å; L89-F101 PolarHBondContact O-N 2.83Å; T91-F101 HydrophobicContact CG2-CD2 4.34Å; T91-F101 HydrophobicContact CG2-CE2 4.28Å; T91-F101 WeakPolarHBondContact OG1-CE2 3.47Å; K99-F101 HydrophobicContact CB-CD2 4.39Å; K99-F101 HydrophobicContact CB-CE2 3.66Å; K99-F101 HydrophobicContact CB-CZ 4.02Å; K99-F101 HydrophobicContact CD-CZ 4.18Å; F101-K113 WeakPolarHBondContact CA-O 3.48Å; F101-R114 HydrophobicContact CD1-CB 3.85Å; F101-R114 HydrophobicContact CD1-CG 4.41Å; F101-R114 HydrophobicContact CE1-CB 3.72Å; F101-R114 HydrophobicContact CE1-CG 4.09Å
102	D	92.6	Very high	79.1	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.011	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127	172	178.3	2.7	0	0	0	109.8	R87 L88 A104 T105 K113 I115	R87-D102 WeakPolarHBondContact CG-OD1 3.49Å; R87-D102 IonicContact CZ-OD1 2.89Å; R87-D102 IonicContact CZ-OD2 3.04Å; R87-D102 IonicContact NE-OD1 2.93Å; R87-D102 PolarHBondContact NE-OD1 3.39Å; R87-D102 IonicContact NE-OD2 3.99Å; R87-D102 PolarHBondContact NE-OD2 3.31Å; R87-D102 IonicContact NH2-OD1 3.58Å; R87-D102 IonicContact NH2-OD2 3.65Å; R87-D102 PolarHBondContact NH2-OD2 3.24Å; L88-D102 HydrophobicContact CD2-CB 3.67Å; D102-A104 WeakPolarHBondContact OD1-CB 3.39Å; D102-A104 PolarHBondContact OD1-N 2.91Å; D102-T105 PolarHBondContact OD2-OG1 2.93Å; D102-K113 PolarHBondContact N-O 3.44Å; D102-K113 PolarHBondContact O-N 2.99Å; D102-I115 HydrophobicContact CB-CD1 3.23Å; D102-I115 HydrophobicContact CB-CG1 3.72Å
103	L	88.4	Confident	78.3	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.136	29%	0.291	C	S	.	.	S	Bend	trans	-93.5	-14.2	-177.5	-53.9	-170.2	0	0	0	113.4	V58 I70 W82 R87 L89	V58-L103 HydrophobicContact CG2-CD1 4.32Å; I70-L103 HydrophobicContact CD1-CD2 3.41Å; I70-L103 VanDerWaalsContact CD1-CD2 3.41Å; I70-L103 HydrophobicContact CG1-CD2 4.2Å; W82-L103 HydrophobicContact CE3-CD1 4.48Å; W82-L103 HydrophobicContact CH2-CD1 3.36Å; W82-L103 HydrophobicContact CZ3-CD1 3.34Å; W82-L103 HydrophobicContact CZ3-CG 4.48Å; R87-L103 WeakPolarHBondContact O-CB 3.36Å; R87-L103 PolarHBondContact O-N 2.89Å; L89-L103 HydrophobicContact CD1-CD1 3.85Å; L89-L103 HydrophobicContact CD1-CD2 4.36Å; L89-L103 HydrophobicContact CD1-CG 4.47Å; L89-L103 HydrophobicContact CG-CD1 4.21Å
104	A	78	Confident	77.5	Confident	73 Å²	73	59.6 Å²	59.6	60%	0.603	32%	0.316	S	S	*	.	S	Bend	trans	-82.2	-32.1	179.1	0	0	0	0	0	113	R87 D102	R87-A104 HydrophobicContact CG-CB 3.96Å; D102-A104 WeakPolarHBondContact OD1-CB 3.39Å; D102-A104 PolarHBondContact OD1-N 2.91Å
105	T	59	Low	77.1	Confident	70 Å²	70	60.6 Å²	60.6	43%	0.429	32%	0.321	S	S	.	.			trans	-96.7	11.7	-167.5	-40.5	0	0	0	0	114	R87 D102 S107	R87-T105 PolarHBondContact NH2-OG1 2.89Å; D102-T105 PolarHBondContact OD2-OG1 2.93Å; T105-S107 PolarHBondContact O-N 3.36Å; T105-S107 VanDerWaalsContact O-N 3.09Å
106	A	51.7	Low	76.7	Confident	15 Å²	15	63.7 Å²	63.7	12%	0.124	33%	0.331	C	S	.	.			trans	-80.8	91.5	178.2	0	0	0	0	0	110	N108 F109 K111	A106-N108 WeakPolarHBondContact CB-O 3.28Å; A106-N108 CarbonylContact O-C 3.55Å; A106-N108 PolarHBondContact O-N 2.52Å; A106-F109 PolarHBondContact O-N 3.41Å; A106-K111 WeakPolarHBondContact CB-O 3.27Å
107	S	43.6	Very low	76.6	Confident	120 Å²	120	61 Å²	61	84%	0.839	32%	0.324	S	S	*	.	S	Bend	trans	-55.7	-21.2	175.1	56.4	0	0	0	0	113.3	T105	T105-S107 PolarHBondContact O-N 3.36Å; T105-S107 VanDerWaalsContact O-N 3.09Å
108	N	45.7	Very low	76.5	Confident	117 Å²	117	60.9 Å²	60.9	63%	0.626	32%	0.323	S	S	*	.	S	Bend	trans	-103.6	105	156.9	-65	-45.6	0	0	0	107.1	A106 S110 K111	A106-N108 WeakPolarHBondContact CB-O 3.28Å; A106-N108 CarbonylContact O-C 3.55Å; A106-N108 PolarHBondContact O-N 2.52Å; N108-S110 PolarHBondContact O-N 2.93Å; N108-K111 PolarHBondContact O-N 3.5Å; N108-K111 VanDerWaalsContact O-N 3.09Å
109	F	47.4	Very low	76.3	Confident	146 Å²	146	68.8 Å²	68.8	64%	0.64	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	-20.7	-179.6	-126.9	-104.7	0	0	0	113.2	E67 K68 A106	E67-F109 WeakPolarHBondContact OE1-CD1 3.13Å; E67-F109 WeakPolarHBondContact OE1-CE1 3.16Å; K68-F109 VanDerWaalsContact CD-O 3.23Å; K68-F109 WeakPolarHBondContact CD-O 3.17Å; K68-F109 WeakPolarHBondContact CE-O 3.49Å; K68-F109 VanDerWaalsContact NZ-CD1 3.34Å; K68-F109 PolarHBondContact NZ-O 3.23Å; A106-F109 PolarHBondContact O-N 3.41Å
110	S	51.5	Low	76.2	Confident	80 Å²	80	70.2 Å²	70.2	56%	0.559	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.5	-177.2	-13.7	0	0	0	0	116.8	N108	N108-S110 PolarHBondContact O-N 2.93Å
111	K	63.1	Low	76.3	Confident	161 Å²	161	70.6 Å²	70.6	70%	0.7	37%	0.37	S	S	*	.	S	Bend	trans	-141.5	107.7	-176.3	-64.7	-175.5	-176.5	177.8	0	112.4	A106 N108 K113	A106-K111 WeakPolarHBondContact CB-O 3.27Å; N108-K111 PolarHBondContact O-N 3.5Å; N108-K111 VanDerWaalsContact O-N 3.09Å; K111-K113 PolarHBondContact O-N 2.84Å
112	G	63.7	Low	76.4	Confident	10 Å²	10	74.6 Å²	74.6	10%	0.103	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-53.9	136.3	172	0	0	0	0	0	111.7
113	K	81.3	Confident	76.7	Confident	122 Å²	122	77.8 Å²	77.8	53%	0.53	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.6	-176.9	-178	179.6	177.4	-178.8	0	109.5	F101 D102 K111 I115	F101-K113 WeakPolarHBondContact CA-O 3.48Å; D102-K113 PolarHBondContact N-O 3.44Å; D102-K113 PolarHBondContact O-N 2.99Å; K111-K113 PolarHBondContact O-N 2.84Å; K113-I115 PolarHBondContact O-N 3.22Å
114	R	82.5	Confident	77.2	Confident	141 Å²	141	81.1 Å²	81.1	53%	0.532	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	118.7	170.5	-173.3	-169	66.7	-172.6	-0.8	109.7	I100 F101	I100-R114 CarbonylContact O-C 3.51Å; I100-R114 WeakPolarHBondContact O-CA 3.34Å; F101-R114 HydrophobicContact CD1-CB 3.85Å; F101-R114 HydrophobicContact CD1-CG 4.41Å; F101-R114 HydrophobicContact CE1-CB 3.72Å; F101-R114 HydrophobicContact CE1-CG 4.09Å
115	I	88.6	Confident	78.1	Confident	61 Å²	61	77.6 Å²	77.6	31%	0.313	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-38.1	177.3	-59.7	-162.7	0	0	0	111.7	I100 D102 K113	I100-I115 PolarHBondContact O-N 2.99Å; D102-I115 HydrophobicContact CB-CD1 3.23Å; D102-I115 HydrophobicContact CB-CG1 3.72Å; K113-I115 PolarHBondContact O-N 3.22Å
116	R	91.2	Very high	80	Confident	87 Å²	87	76.5 Å²	76.5	33%	0.328	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.6	180	-61.5	-63.9	176.7	-105.7	6.3	112.2	K99 I100 F118 V151 R152	K99-R116 WeakPolarHBondContact CA-O 3.49Å; I100-R116 HydrophobicContact CB-CB 4.16Å; I100-R116 HydrophobicContact CD1-CB 4.4Å; I100-R116 HydrophobicContact CG1-CB 4.39Å; I100-R116 PolarHBondContact N-O 3.36Å; I100-R116 VanDerWaalsContact N-O 3.08Å; I100-R116 PolarHBondContact O-N 3.29Å; R116-F118 HydrophobicContact CB-CE1 4.37Å; R116-F118 HydrophobicContact CB-CE2 4.47Å; R116-F118 HydrophobicContact CB-CZ 4.14Å; R116-V151 PolarHBondContact NE-O 3.32Å; R116-R152 PolarHBondContact NE-O 2.67Å; R116-R152 PolarHBondContact NH2-O 2.81Å
117	S	94.9	Very high	82.3	Confident	37 Å²	37	76 Å²	76	26%	0.259	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	106.9	169.4	-172.3	0	0	0	0	107.6
118	F	96.1	Very high	84.9	Confident	1 Å²	1	70.3 Å²	70.3	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.4	177.1	-55.9	-63.7	0	0	0	109.8	C97 V98 I100 R116 V137 W149 D150 G154	C97-F118 WeakPolarHBondContact CA-O 3.29Å; V98-F118 HydrophobicContact CB-CB 4.19Å; V98-F118 HydrophobicContact CB-CD2 3.9Å; V98-F118 HydrophobicContact CG1-CD2 3.89Å; V98-F118 HydrophobicContact CG1-CE2 4.48Å; V98-F118 PolarHBondContact N-O 2.87Å; V98-F118 WeakPolarHBondContact O-CB 3.43Å; V98-F118 WeakPolarHBondContact O-CD2 3.32Å; V98-F118 PolarHBondContact O-N 3.17Å; I100-F118 HydrophobicContact CD1-CE2 3.53Å; I100-F118 HydrophobicContact CD1-CZ 3.59Å; I100-F118 HydrophobicContact CG1-CE2 3.68Å; I100-F118 HydrophobicContact CG1-CZ 4.21Å; R116-F118 HydrophobicContact CB-CE1 4.37Å; R116-F118 HydrophobicContact CB-CE2 4.47Å; R116-F118 HydrophobicContact CB-CZ 4.14Å; F118-V137 HydrophobicContact CE2-CB 4.44Å; F118-W149 HydrophobicContact CB-CD2 3.63Å; F118-W149 HydrophobicContact CB-CE3 3.56Å; F118-W149 HydrophobicContact CB-CG 4.18Å; F118-W149 HydrophobicContact CB-CH2 4.15Å; F118-W149 HydrophobicContact CB-CZ2 4.21Å; F118-W149 HydrophobicContact CB-CZ3 3.82Å; F118-W149 HydrophobicContact CD1-CB 3.68Å; F118-W149 AromaticContact CD1-CD2 3.92Å; F118-W149 HydrophobicContact CD1-CD2 3.92Å; F118-W149 AromaticContact CD1-CE3 3.71Å; F118-W149 HydrophobicContact CD1-CE3 3.71Å; F118-W149 AromaticContact CD1-CG 3.93Å; F118-W149 HydrophobicContact CD1-CG 3.93Å; F118-W149 HydrophobicContact CD2-CB 4.16Å; F118-W149 HydrophobicContact CD2-CD2 4.41Å; F118-W149 HydrophobicContact CD2-CG 4.07Å; F118-W149 HydrophobicContact CE1-CB 3.53Å; F118-W149 HydrophobicContact CE1-CG 4.26Å; F118-W149 HydrophobicContact CE2-CB 4.03Å; F118-W149 HydrophobicContact CE2-CG 4.39Å; F118-W149 HydrophobicContact CG-CB 3.98Å; F118-W149 AromaticContact CG-CD2 3.75Å; F118-W149 HydrophobicContact CG-CD2 3.75Å; F118-W149 AromaticContact CG-CE3 3.85Å; F118-W149 HydrophobicContact CG-CE3 3.85Å; F118-W149 AromaticContact CG-CG 3.81Å; F118-W149 HydrophobicContact CG-CG 3.81Å; F118-W149 HydrophobicContact CZ-CB 3.73Å; F118-W149 HydrophobicContact CZ-CG 4.49Å; F118-D150 WeakPolarHBondContact CE1-O 3.17Å; F118-G154 WeakPolarHBondContact CD1-O 3.36Å
119	R	94.8	Very high	87.4	Confident	167 Å²	167	65.9 Å²	65.9	63%	0.63	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	133	176.8	-63.8	-178.2	-180	-76.2	-4.5	107.7	C97	C97-R119 PolarHBondContact SG-NH1 2.81Å
120	G	95.2	Very high	89.8	Confident	34 Å²	34	59.3 Å²	59.3	35%	0.351	29%	0.285	S	S	.	.			trans	169.2	-33	178.3	0	0	0	0	0	111.9
121	H	97.9	Very high	92	Very high	11 Å²	11	55.6 Å²	55.6	5%	0.051	26%	0.259	C	S	.	.			trans	-60.9	138.1	168.4	-75.8	-59.2	0	0	0	111.5	S125 S139 S141 D143 K145 W149	H121-S125 PolarHBondContact CD2-OG 2.88Å; H121-S139 PolarHBondContact CD2-OG 3.35Å; H121-S139 PolarHBondContact NE2-OG 3.29Å; H121-S141 WeakPolarHBondContact CE1-CB 3.46Å; H121-S141 WeakPolarHBondContact ND1-CB 3.3Å; H121-D143 VanDerWaalsContact CA-OD2 3.23Å; H121-D143 WeakPolarHBondContact CA-OD2 3.31Å; H121-D143 IonicContact CE1-OD1 3.2Å; H121-D143 IonicContact CG-OD2 3.73Å; H121-D143 IonicContact ND1-OD1 3.84Å; H121-D143 PolarHBondContact ND1-OD1 3.18Å; H121-D143 IonicContact ND1-OD2 3.05Å; H121-D143 PolarHBondContact ND1-OD2 3.33Å; H121-K145 PolarHBondContact CE1-O 3.31Å; H121-W149 AromaticContact CD2-CZ2 4Å
122	T	97.8	Very high	93.6	Very high	85 Å²	85	49.6 Å²	49.6	52%	0.521	24%	0.236	S	C	.	.	S	Bend	trans	-99.1	-11.2	-177.1	57.2	0	0	0	0	112.8	K96 D143	K96-T122 WeakPolarHBondContact CD-O 3.26Å; K96-T122 WeakPolarHBondContact CE-O 3.28Å; K96-T122 PolarHBondContact NZ-O 2.77Å; T122-D143 PolarHBondContact N-OD2 3.1Å; T122-D143 WeakPolarHBondContact OG1-CB 3.36Å; T122-D143 PolarHBondContact OG1-OD2 3.04Å
123	H	98.2	Very high	95	Very high	69 Å²	69	54.6 Å²	54.6	32%	0.319	26%	0.257	S	S	.	.	S	Bend	trans	-130.7	-174.2	171.6	-150.9	-85.1	0	0	0	111.1	K96 S125 S141 F142 D143	K96-H123 WeakPolarHBondContact CB-O 3.37Å; K96-H123 WeakPolarHBondContact CG-O 3.3Å; H123-S125 PolarHBondContact O-N 3.1Å; H123-S141 PolarHBondContact O-OG 3.11Å; H123-F142 HydrophobicContact CB-CB 3.76Å; H123-F142 AromaticContact CE1-CD1 3.92Å; H123-F142 WeakPolarHBondContact ND1-CB 3.48Å; H123-F142 AromaticContact ND1-CD1 3.83Å; H123-F142 AromaticContact ND1-CG 3.67Å; H123-D143 HydrophobicContact CB-CB 4.03Å
124	Y	98.1	Very high	95.7	Very high	96 Å²	96	49.8 Å²	49.8	38%	0.376	24%	0.24	S	C	.	.			trans	-50	125.9	178.6	-53.7	-28.7	0	0	0	111.8	D94 S141 F142	D94-Y124 HydrophobicContact CB-CD1 3.85Å; D94-Y124 HydrophobicContact CB-CE1 4.15Å; D94-Y124 HydrophobicContact CB-CG 4.33Å; D94-Y124 WeakPolarHBondContact O-CD1 3.5Å; Y124-S141 VanDerWaalsContact O-CA 3.26Å; Y124-S141 WeakPolarHBondContact O-CA 3.41Å; Y124-S141 VanDerWaalsContact O-CB 3.28Å; Y124-S141 WeakPolarHBondContact O-CB 3.25Å; Y124-S141 PolarHBondContact O-OG 3.5Å; Y124-F142 HydrophobicContact CD2-CD1 4.32Å; Y124-F142 HydrophobicContact CD2-CG 4.44Å; Y124-F142 PolarHBondContact O-N 3.36Å
125	S	98.3	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.5	168.2	-55.3	0	0	0	0	107.3	N78 A92 S93 H121 H123	N78-S125 PolarHBondContact ND2-O 2.69Å; A92-S125 CarbonylContact C-O 3.56Å; S93-S125 CarbonylContact C-O 3.57Å; S93-S125 PolarHBondContact N-O 3.05Å; S93-S125 PolarHBondContact O-N 3.08Å; S93-S125 VanDerWaalsContact O-N 3.1Å; H121-S125 PolarHBondContact CD2-OG 2.88Å; H123-S125 PolarHBondContact O-N 3.1Å
126	F	98.8	Very high	96.7	Very high	47 Å²	47	45.1 Å²	45.1	21%	0.206	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-42.8	-166.5	-171.5	-108.8	0	0	0	112.6	N78 D79 G140 F142 S168 C270	N78-F126 HydrophobicContact CB-CD2 4.13Å; N78-F126 VanDerWaalsContact CB-O 3.24Å; N78-F126 WeakPolarHBondContact CB-O 3.48Å; D79-F126 WeakPolarHBondContact CB-O 3.3Å; F126-G140 PolarHBondContact N-O 3.24Å; F126-F142 HydrophobicContact CB-CD2 4.12Å; F126-F142 HydrophobicContact CB-CE2 4.1Å; F126-F142 HydrophobicContact CD2-CD2 4.47Å; F126-F142 AromaticContact CD2-CE2 3.68Å; F126-F142 HydrophobicContact CD2-CE2 3.68Å; F126-F142 HydrophobicContact CE2-CE2 4.3Å; F126-F142 HydrophobicContact CG-CD2 4.43Å; F126-F142 AromaticContact CG-CE2 3.91Å; F126-F142 HydrophobicContact CG-CE2 3.91Å; F126-S168 VanDerWaalsContact CD1-O 3.26Å; F126-S168 WeakPolarHBondContact CD1-O 3.27Å; F126-S168 VanDerWaalsContact CE1-O 3.25Å; F126-S168 WeakPolarHBondContact CE1-O 3.35Å; F126-C270 HydrophobicContact CE1-CB 3.75Å; F126-C270 HydrophobicContact CZ-CB 3.69Å
127	C	98.6	Very high	97	Very high	4 Å²	4	41 Å²	41	3%	0.027	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.1	-176.7	54.6	0	0	0	0	111.2	S139 G140 A169 V170	C127-S139 VanDerWaalsContact O-CA 3.24Å; C127-S139 WeakPolarHBondContact O-CA 3.3Å; C127-S139 WeakPolarHBondContact O-CB 3.41Å; C127-G140 PolarHBondContact N-O 3.29Å; C127-G140 PolarHBondContact O-N 3.41Å; C127-G140 VanDerWaalsContact SG-CA 3.55Å; C127-A169 VanDerWaalsContact SG-C 3.54Å; C127-A169 WeakPolarHBondContact SG-CA 3.07Å; C127-V170 HydrophobicContact CB-CG2 4.36Å
128	C	98.6	Very high	97.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.2	176.9	59.4	0	0	0	0	112.8	D79 A92 V98 V137 A138	D79-C128 PolarHBondContact OD2-N 3.5Å; A92-C128 HydrophobicContact CB-CB 4.04Å; V98-C128 HydrophobicContact CG1-CB 4.36Å; C128-V137 HydrophobicContact CB-CG1 4.46Å; C128-A138 CarbonylContact C-O 3.59Å; C128-A138 WeakPolarHBondContact CA-O 3.45Å
129	N	98.6	Very high	97.3	Very high	23 Å²	23	39.1 Å²	39.1	12%	0.123	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	140.2	177.6	-148.1	-41.9	0	0	0	111.6	C81 V137 A138 V170 H171	C81-N129 PolarHBondContact SG-OD1 3.2Å; N129-V137 CarbonylContact O-C 3.54Å; N129-V137 WeakPolarHBondContact O-CA 3.4Å; N129-A138 PolarHBondContact N-O 2.56Å; N129-A138 PolarHBondContact O-N 2.95Å; N129-V170 HydrophobicContact CB-CG2 4.4Å; N129-V170 PolarHBondContact ND2-O 3.39Å; N129-H171 PolarHBondContact ND2-CD2 3.47Å
130	F	98.2	Very high	97.5	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	149	170.7	-82.8	-75.3	0	0	0	110.9	C81 W82 L88 C90 I100 A134 V137 V151 Y172	C81-F130 WeakPolarHBondContact O-CE2 3.41Å; W82-F130 VanDerWaalsContact C-CD2 3.45Å; W82-F130 WeakPolarHBondContact O-CD2 3.36Å; L88-F130 HydrophobicContact CB-CE2 4.29Å; L88-F130 HydrophobicContact CB-CZ 3.83Å; C90-F130 HydrophobicContact CB-CD2 4.03Å; C90-F130 HydrophobicContact CB-CE1 4.32Å; C90-F130 HydrophobicContact CB-CE2 3.47Å; C90-F130 VanDerWaalsContact CB-CE2 3.47Å; C90-F130 HydrophobicContact CB-CZ 3.62Å; C90-F130 VanDerWaalsContact SG-CD2 3.55Å; I100-F130 HydrophobicContact CD1-CE1 4.14Å; I100-F130 HydrophobicContact CD1-CZ 4.35Å; I100-F130 HydrophobicContact CG1-CZ 4.39Å; I100-F130 HydrophobicContact CG2-CZ 4.35Å; F130-A134 HydrophobicContact CD1-CB 4.44Å; F130-V137 HydrophobicContact CD1-CG2 3.42Å; F130-V137 VanDerWaalsContact CD1-CG2 3.42Å; F130-V137 HydrophobicContact CE1-CG2 3.42Å; F130-V137 VanDerWaalsContact CE1-CG2 3.42Å; F130-V137 HydrophobicContact CG-CG2 4.14Å; F130-V137 HydrophobicContact CZ-CG2 4.17Å; F130-V151 HydrophobicContact CD1-CG2 4.25Å; F130-V151 HydrophobicContact CE1-CG2 3.92Å; F130-Y172 VanDerWaalsContact O-CD2 3.22Å; F130-Y172 WeakPolarHBondContact O-CD2 3.35Å
131	S	97.5	Very high	97.7	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.021	15%	0.153	C	C	.	.			trans	-64.6	153.2	158.4	61.1	0	0	0	0	109.7	Q133 A134 D135 C136	S131-Q133 PolarHBondContact O-N 3.23Å; S131-Q133 VanDerWaalsContact O-N 3.15Å; S131-A134 WeakPolarHBondContact O-CA 3.43Å; S131-A134 PolarHBondContact O-N 3.48Å; S131-A134 PolarHBondContact OG-N 3.04Å; S131-D135 PolarHBondContact OG-N 2.75Å; S131-D135 PolarHBondContact OG-OD1 2.83Å; S131-C136 PolarHBondContact N-O 3.16Å; S131-C136 PolarHBondContact OG-N 3.31Å; S131-C136 VanDerWaalsContact OG-N 3.09Å; S131-C136 PolarHBondContact OG-O 3.22Å
132	P	95.9	Very high	97.7	Very high	35 Å²	35	32.4 Å²	32.4	23%	0.227	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.7	176.6	-26.4	35.7	0	0	0	113.8	E84 A134 N173 R174	E84-P132 VanDerWaalsContact CG-O 3.31Å; E84-P132 WeakPolarHBondContact CG-O 3.48Å; P132-A134 VanDerWaalsContact C-N 3.28Å; P132-N173 WeakPolarHBondContact CG-O 3.23Å; P132-R174 VanDerWaalsContact CG-O 3.28Å; P132-R174 WeakPolarHBondContact CG-O 3.46Å
133	Q	94.7	Very high	97.7	Very high	114 Å²	114	29.1 Å²	29.1	53%	0.533	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-6	176.2	-60.4	78	11.3	0	0	113.1	S131 D135 D175	S131-Q133 PolarHBondContact O-N 3.23Å; S131-Q133 VanDerWaalsContact O-N 3.15Å; Q133-D135 PolarHBondContact O-N 3.49Å; Q133-D135 VanDerWaalsContact O-N 3.17Å; Q133-D175 PolarHBondContact NE2-O 3.3Å
134	A	94.4	Very high	97.7	Very high	21 Å²	21	30 Å²	30	17%	0.174	15%	0.148	C	C	.	.	S	Bend	trans	56.1	22.8	-176.9	0	0	0	0	0	115	F130 S131 P132	F130-A134 HydrophobicContact CD1-CB 4.44Å; S131-A134 WeakPolarHBondContact O-CA 3.43Å; S131-A134 PolarHBondContact O-N 3.48Å; S131-A134 PolarHBondContact OG-N 3.04Å; P132-A134 VanDerWaalsContact C-N 3.28Å
135	D	95.5	Very high	97.7	Very high	82 Å²	82	28.1 Å²	28.1	44%	0.439	14%	0.142	S	C	.	.	S	Bend	trans	-91.7	-23.1	176.5	64.2	-18	0	0	0	112.8	S131 Q133 V151	S131-D135 PolarHBondContact OG-N 2.75Å; S131-D135 PolarHBondContact OG-OD1 2.83Å; Q133-D135 PolarHBondContact O-N 3.49Å; Q133-D135 VanDerWaalsContact O-N 3.17Å; D135-V151 WeakPolarHBondContact O-CB 3.37Å; D135-V151 WeakPolarHBondContact O-CG2 3.33Å; D135-V151 PolarHBondContact O-N 3.02Å
136	C	97.2	Very high	97.7	Very high	22 Å²	22	28.1 Å²	28.1	15%	0.149	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.1	178.6	-63.9	0	0	0	0	111.9	S131 I148 W149	S131-C136 PolarHBondContact N-O 3.16Å; S131-C136 PolarHBondContact OG-N 3.31Å; S131-C136 VanDerWaalsContact OG-N 3.09Å; S131-C136 PolarHBondContact OG-O 3.22Å; C136-I148 HydrophobicContact CB-CG2 4.09Å; C136-W149 CarbonylContact C-O 3.57Å; C136-W149 VanDerWaalsContact CA-O 3.23Å; C136-W149 WeakPolarHBondContact CA-O 3.39Å
137	V	98	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.4	164.7	171	0	0	0	0	108.4	C90 V98 I100 F118 C128 N129 F130 I148 W149 V151	C90-V137 HydrophobicContact CB-CG1 4.26Å; C90-V137 HydrophobicContact CB-CG2 4Å; V98-V137 HydrophobicContact CG1-CG1 4.01Å; I100-V137 HydrophobicContact CD1-CG2 4.08Å; F118-V137 HydrophobicContact CE2-CB 4.44Å; C128-V137 HydrophobicContact CB-CG1 4.46Å; N129-V137 CarbonylContact O-C 3.54Å; N129-V137 WeakPolarHBondContact O-CA 3.4Å; F130-V137 HydrophobicContact CD1-CG2 3.42Å; F130-V137 VanDerWaalsContact CD1-CG2 3.42Å; F130-V137 HydrophobicContact CE1-CG2 3.42Å; F130-V137 VanDerWaalsContact CE1-CG2 3.42Å; F130-V137 HydrophobicContact CG-CG2 4.14Å; F130-V137 HydrophobicContact CZ-CG2 4.17Å; V137-I148 CarbonylContact O-C 3.58Å; V137-I148 WeakPolarHBondContact O-CA 3.05Å; V137-W149 HydrophobicContact CB-CB 4.49Å; V137-W149 PolarHBondContact N-O 2.64Å; V137-W149 VanDerWaalsContact O-CD1 3.23Å; V137-W149 PolarHBondContact O-N 2.92Å; V137-V151 HydrophobicContact CG2-CG2 3.83Å
138	A	98.5	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	144.1	166.2	0	0	0	0	0	109.8	C128 N129 M147 I148 V170 Y172 L179	C128-A138 CarbonylContact C-O 3.59Å; C128-A138 WeakPolarHBondContact CA-O 3.45Å; N129-A138 PolarHBondContact N-O 2.56Å; N129-A138 PolarHBondContact O-N 2.95Å; A138-M147 CarbonylContact C-O 3.49Å; A138-M147 WeakPolarHBondContact CA-O 3.38Å; A138-I148 HydrophobicContact CB-CD1 3.66Å; A138-V170 HydrophobicContact CB-CB 4.49Å; A138-V170 HydrophobicContact CB-CG2 4.26Å; A138-Y172 HydrophobicContact CB-CD2 4.35Å; A138-Y172 HydrophobicContact CB-CE2 3.57Å; A138-L179 HydrophobicContact CB-CD1 3.61Å; A138-L179 HydrophobicContact CB-CD2 3.8Å; A138-L179 HydrophobicContact CB-CG 4.4Å
139	S	98.7	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.3	170.8	61.5	0	0	0	0	112.8	H121 C127 V146 M147 W149	H121-S139 PolarHBondContact CD2-OG 3.35Å; H121-S139 PolarHBondContact NE2-OG 3.29Å; C127-S139 VanDerWaalsContact O-CA 3.24Å; C127-S139 WeakPolarHBondContact O-CA 3.3Å; C127-S139 WeakPolarHBondContact O-CB 3.41Å; S139-V146 CarbonylContact O-C 3.49Å; S139-V146 VanDerWaalsContact O-CA 3.25Å; S139-V146 WeakPolarHBondContact O-CA 3.36Å; S139-M147 PolarHBondContact N-O 2.96Å; S139-M147 PolarHBondContact O-N 3.03Å; S139-W149 PolarHBondContact OG-NE1 2.76Å
140	G	98.7	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	148.7	171.1	0	0	0	0	0	111.1	F126 C127	F126-G140 PolarHBondContact N-O 3.24Å; C127-G140 PolarHBondContact N-O 3.29Å; C127-G140 PolarHBondContact O-N 3.41Å; C127-G140 VanDerWaalsContact SG-CA 3.55Å
141	S	98.7	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	164.5	-175.7	177.6	0	0	0	0	112.7	H121 H123 Y124 D143 E144 K145 V167	H121-S141 WeakPolarHBondContact CE1-CB 3.46Å; H121-S141 WeakPolarHBondContact ND1-CB 3.3Å; H123-S141 PolarHBondContact O-OG 3.11Å; Y124-S141 VanDerWaalsContact O-CA 3.26Å; Y124-S141 WeakPolarHBondContact O-CA 3.41Å; Y124-S141 VanDerWaalsContact O-CB 3.28Å; Y124-S141 WeakPolarHBondContact O-CB 3.25Å; Y124-S141 PolarHBondContact O-OG 3.5Å; S141-D143 WeakPolarHBondContact CB-OD1 3.38Å; S141-D143 PolarHBondContact O-N 3.08Å; S141-D143 PolarHBondContact OG-N 2.93Å; S141-D143 PolarHBondContact OG-OD1 3.14Å; S141-E144 PolarHBondContact O-N 3.17Å; S141-K145 PolarHBondContact N-O 2.8Å; S141-V167 PolarHBondContact O-N 3.23Å
142	F	98.5	Very high	97.2	Very high	70 Å²	70	35.7 Å²	35.7	31%	0.307	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-4.2	169.1	-85.1	-125	0	0	0	113.6	H123 Y124 F126 E144 P166	H123-F142 HydrophobicContact CB-CB 3.76Å; H123-F142 AromaticContact CE1-CD1 3.92Å; H123-F142 WeakPolarHBondContact ND1-CB 3.48Å; H123-F142 AromaticContact ND1-CD1 3.83Å; H123-F142 AromaticContact ND1-CG 3.67Å; Y124-F142 HydrophobicContact CD2-CD1 4.32Å; Y124-F142 HydrophobicContact CD2-CG 4.44Å; Y124-F142 PolarHBondContact O-N 3.36Å; F126-F142 HydrophobicContact CB-CD2 4.12Å; F126-F142 HydrophobicContact CB-CE2 4.1Å; F126-F142 HydrophobicContact CD2-CD2 4.47Å; F126-F142 AromaticContact CD2-CE2 3.68Å; F126-F142 HydrophobicContact CD2-CE2 3.68Å; F126-F142 HydrophobicContact CE2-CE2 4.3Å; F126-F142 HydrophobicContact CG-CD2 4.43Å; F126-F142 AromaticContact CG-CE2 3.91Å; F126-F142 HydrophobicContact CG-CE2 3.91Å; F142-E144 PolarHBondContact O-N 3.2Å; F142-P166 HydrophobicContact CB-CB 4.37Å; F142-P166 HydrophobicContact CB-CG 4.43Å; F142-P166 HydrophobicContact CD1-CB 4.13Å; F142-P166 HydrophobicContact CD1-CG 3.92Å; F142-P166 HydrophobicContact CD2-CB 3.99Å; F142-P166 HydrophobicContact CE1-CB 4.42Å; F142-P166 HydrophobicContact CE1-CG 4.32Å; F142-P166 HydrophobicContact CE2-CB 4.26Å; F142-P166 HydrophobicContact CG-CB 3.9Å; F142-P166 HydrophobicContact CG-CG 4.09Å; F142-P166 HydrophobicContact CZ-CB 4.47Å
143	D	98.2	Very high	97.1	Very high	16 Å²	16	37.7 Å²	37.7	9%	0.086	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	17.4	167.2	71.5	1.8	0	0	0	113.1	H121 T122 H123 S141 K145	H121-D143 VanDerWaalsContact CA-OD2 3.23Å; H121-D143 WeakPolarHBondContact CA-OD2 3.31Å; H121-D143 IonicContact CE1-OD1 3.2Å; H121-D143 IonicContact CG-OD2 3.73Å; H121-D143 IonicContact ND1-OD1 3.84Å; H121-D143 PolarHBondContact ND1-OD1 3.18Å; H121-D143 IonicContact ND1-OD2 3.05Å; H121-D143 PolarHBondContact ND1-OD2 3.33Å; T122-D143 PolarHBondContact N-OD2 3.1Å; T122-D143 WeakPolarHBondContact OG1-CB 3.36Å; T122-D143 PolarHBondContact OG1-OD2 3.04Å; H123-D143 HydrophobicContact CB-CB 4.03Å; S141-D143 WeakPolarHBondContact CB-OD1 3.38Å; S141-D143 PolarHBondContact O-N 3.08Å; S141-D143 PolarHBondContact OG-N 2.93Å; S141-D143 PolarHBondContact OG-OD1 3.14Å; D143-K145 WeakPolarHBondContact O-CG 3.02Å; D143-K145 PolarHBondContact O-N 3.28Å; D143-K145 WeakPolarHBondContact OD1-CB 3.19Å; D143-K145 PolarHBondContact OD1-N 3.48Å
144	E	98.3	Very high	97	Very high	87 Å²	87	33.4 Å²	33.4	41%	0.407	17%	0.169	S	C	.	.	S	Bend	trans	67.2	4.2	173.9	-52.4	160.2	-156.9	0	0	114	S141 F142	S141-E144 PolarHBondContact O-N 3.17Å; F142-E144 PolarHBondContact O-N 3.2Å
145	K	98.1	Very high	97	Very high	57 Å²	57	35.9 Å²	35.9	25%	0.248	18%	0.182	C	C	.	.			trans	-100.2	146.6	-177.5	-64.1	165.6	-169.6	176.5	0	111.5	H121 S141 D143 M147 I159	H121-K145 PolarHBondContact CE1-O 3.31Å; S141-K145 PolarHBondContact N-O 2.8Å; D143-K145 WeakPolarHBondContact O-CG 3.02Å; D143-K145 PolarHBondContact O-N 3.28Å; D143-K145 WeakPolarHBondContact OD1-CB 3.19Å; D143-K145 PolarHBondContact OD1-N 3.48Å; K145-M147 HydrophobicContact CB-CE 4.36Å; K145-M147 HydrophobicContact CD-CE 3.85Å; K145-I159 HydrophobicContact CB-CG2 4.11Å; K145-I159 HydrophobicContact CD-CG2 3.97Å; K145-I159 HydrophobicContact CG-CG2 3.98Å
146	V	98.6	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127	158.9	173.9	0	0	0	0	108.1	S139 M160 V167 V170 L179	S139-V146 CarbonylContact O-C 3.49Å; S139-V146 VanDerWaalsContact O-CA 3.25Å; S139-V146 WeakPolarHBondContact O-CA 3.36Å; V146-M160 HydrophobicContact CB-CB 4Å; V146-M160 HydrophobicContact CB-SD 4.49Å; V146-M160 HydrophobicContact CG1-CB 4.39Å; V146-M160 HydrophobicContact CG1-SD 3.91Å; V146-M160 PolarHBondContact N-O 2.84Å; V146-M160 PolarHBondContact O-N 3.37Å; V146-V167 HydrophobicContact CG2-CG1 3.86Å; V146-V167 HydrophobicContact CG2-CG2 4.03Å; V146-V170 HydrophobicContact CG1-CG1 4.07Å; V146-V170 HydrophobicContact CG2-CG1 3.92Å; V146-L179 HydrophobicContact CG1-CD2 3.63Å
147	M	98.3	Very high	97.1	Very high	3 Å²	3	38 Å²	38	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.8	178.8	-68.4	-176.6	179.1	0	0	110.7	A138 S139 K145 W149 H158 I159	A138-M147 CarbonylContact C-O 3.49Å; A138-M147 WeakPolarHBondContact CA-O 3.38Å; S139-M147 PolarHBondContact N-O 2.96Å; S139-M147 PolarHBondContact O-N 3.03Å; K145-M147 HydrophobicContact CB-CE 4.36Å; K145-M147 HydrophobicContact CD-CE 3.85Å; M147-W149 HydrophobicContact CB-CH2 4.4Å; M147-W149 HydrophobicContact CB-CZ2 3.58Å; M147-W149 HydrophobicContact CG-CZ2 4.11Å; M147-W149 HydrophobicContact SD-CH2 3.53Å; M147-W149 VanDerWaalsContact SD-CH2 3.53Å; M147-W149 HydrophobicContact SD-CZ2 3.4Å; M147-W149 WeakPolarHBondContact SD-CZ2 3.24Å; M147-H158 WeakPolarHBondContact CA-O 3.29Å; M147-I159 HydrophobicContact CE-CD1 4.27Å; M147-I159 HydrophobicContact CE-CG1 4.41Å; M147-I159 HydrophobicContact CG-CG1 4.38Å
148	I	98.1	Very high	97	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.8	172	-50.5	-57.6	0	0	0	108.7	C136 V137 A138 L157 H158 M160 L179	C136-I148 HydrophobicContact CB-CG2 4.09Å; V137-I148 CarbonylContact O-C 3.58Å; V137-I148 WeakPolarHBondContact O-CA 3.05Å; A138-I148 HydrophobicContact CB-CD1 3.66Å; I148-L157 HydrophobicContact CG2-CB 4.45Å; I148-L157 HydrophobicContact CG2-CD1 4.34Å; I148-L157 PolarHBondContact O-N 2.84Å; I148-H158 HydrophobicContact CB-CB 4.18Å; I148-H158 HydrophobicContact CG1-CB 4.15Å; I148-H158 PolarHBondContact N-O 3.08Å; I148-H158 PolarHBondContact O-N 2.95Å; I148-M160 HydrophobicContact CD1-CE 3.76Å; I148-M160 HydrophobicContact CD1-SD 4.29Å; I148-M160 HydrophobicContact CG1-CE 3.63Å; I148-M160 HydrophobicContact CG1-SD 4.42Å; I148-L179 HydrophobicContact CD1-CD2 3.93Å
149	W	97.8	Very high	96.9	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.011	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.5	-176	-46.1	92	0	0	0	110.7	F118 H121 C136 V137 S139 M147 T155 Q156	F118-W149 HydrophobicContact CB-CD2 3.63Å; F118-W149 HydrophobicContact CB-CE3 3.56Å; F118-W149 HydrophobicContact CB-CG 4.18Å; F118-W149 HydrophobicContact CB-CH2 4.15Å; F118-W149 HydrophobicContact CB-CZ2 4.21Å; F118-W149 HydrophobicContact CB-CZ3 3.82Å; F118-W149 HydrophobicContact CD1-CB 3.68Å; F118-W149 AromaticContact CD1-CD2 3.92Å; F118-W149 HydrophobicContact CD1-CD2 3.92Å; F118-W149 AromaticContact CD1-CE3 3.71Å; F118-W149 HydrophobicContact CD1-CE3 3.71Å; F118-W149 AromaticContact CD1-CG 3.93Å; F118-W149 HydrophobicContact CD1-CG 3.93Å; F118-W149 HydrophobicContact CD2-CB 4.16Å; F118-W149 HydrophobicContact CD2-CD2 4.41Å; F118-W149 HydrophobicContact CD2-CG 4.07Å; F118-W149 HydrophobicContact CE1-CB 3.53Å; F118-W149 HydrophobicContact CE1-CG 4.26Å; F118-W149 HydrophobicContact CE2-CB 4.03Å; F118-W149 HydrophobicContact CE2-CG 4.39Å; F118-W149 HydrophobicContact CG-CB 3.98Å; F118-W149 AromaticContact CG-CD2 3.75Å; F118-W149 HydrophobicContact CG-CD2 3.75Å; F118-W149 AromaticContact CG-CE3 3.85Å; F118-W149 HydrophobicContact CG-CE3 3.85Å; F118-W149 AromaticContact CG-CG 3.81Å; F118-W149 HydrophobicContact CG-CG 3.81Å; F118-W149 HydrophobicContact CZ-CB 3.73Å; F118-W149 HydrophobicContact CZ-CG 4.49Å; H121-W149 AromaticContact CD2-CZ2 4Å; C136-W149 CarbonylContact C-O 3.57Å; C136-W149 VanDerWaalsContact CA-O 3.23Å; C136-W149 WeakPolarHBondContact CA-O 3.39Å; V137-W149 HydrophobicContact CB-CB 4.49Å; V137-W149 PolarHBondContact N-O 2.64Å; V137-W149 VanDerWaalsContact O-CD1 3.23Å; V137-W149 PolarHBondContact O-N 2.92Å; S139-W149 PolarHBondContact OG-NE1 2.76Å; M147-W149 HydrophobicContact CB-CH2 4.4Å; M147-W149 HydrophobicContact CB-CZ2 3.58Å; M147-W149 HydrophobicContact CG-CZ2 4.11Å; M147-W149 HydrophobicContact SD-CH2 3.53Å; M147-W149 VanDerWaalsContact SD-CH2 3.53Å; M147-W149 HydrophobicContact SD-CZ2 3.4Å; M147-W149 WeakPolarHBondContact SD-CZ2 3.24Å; W149-T155 WeakPolarHBondContact CA-O 3.36Å; W149-Q156 HydrophobicContact CE3-CB 3.74Å; W149-Q156 HydrophobicContact CE3-CG 4.16Å; W149-Q156 HydrophobicContact CH2-CB 4.45Å; W149-Q156 HydrophobicContact CH2-CG 4.39Å; W149-Q156 HydrophobicContact CZ3-CB 3.61Å; W149-Q156 HydrophobicContact CZ3-CG 3.98Å
150	D	96.8	Very high	96.7	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.2	170.7	-176.3	-61.7	0	0	0	109.6	F118 R152 T153 G154 T155 L157	F118-D150 WeakPolarHBondContact CE1-O 3.17Å; D150-R152 VanDerWaalsContact C-N 3.3Å; D150-R152 PolarHBondContact O-N 3.29Å; D150-R152 VanDerWaalsContact OD1-CA 3.31Å; D150-R152 WeakPolarHBondContact OD1-CA 3.44Å; D150-R152 VanDerWaalsContact OD1-CB 3.32Å; D150-R152 WeakPolarHBondContact OD1-CB 3.4Å; D150-R152 PolarHBondContact OD1-N 2.81Å; D150-T153 VanDerWaalsContact CB-OG1 3.28Å; D150-T153 WeakPolarHBondContact CB-OG1 3.47Å; D150-T153 PolarHBondContact OD1-N 2.68Å; D150-T153 PolarHBondContact OD1-OG1 3.49Å; D150-G154 WeakPolarHBondContact O-CA 3.16Å; D150-G154 PolarHBondContact O-N 2.77Å; D150-T155 PolarHBondContact N-O 2.82Å; D150-L157 HydrophobicContact CB-CD1 3.87Å; D150-L157 HydrophobicContact CB-CD2 3.93Å; D150-L157 HydrophobicContact CB-CG 3.84Å
151	V	95.4	Very high	96.4	Very high	20 Å²	20	50.9 Å²	50.9	12%	0.121	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-36.5	-177.3	170.8	0	0	0	0	111.7	L88 I100 R116 F130 D135 V137	L88-V151 HydrophobicContact CD1-CG1 4.43Å; I100-V151 HydrophobicContact CD1-CB 4.16Å; I100-V151 HydrophobicContact CD1-CG1 3.77Å; I100-V151 HydrophobicContact CD1-CG2 3.84Å; R116-V151 PolarHBondContact NE-O 3.32Å; F130-V151 HydrophobicContact CD1-CG2 4.25Å; F130-V151 HydrophobicContact CE1-CG2 3.92Å; D135-V151 WeakPolarHBondContact O-CB 3.37Å; D135-V151 WeakPolarHBondContact O-CG2 3.33Å; D135-V151 PolarHBondContact O-N 3.02Å; V137-V151 HydrophobicContact CG2-CG2 3.83Å
152	R	93.4	Very high	96.1	Very high	194 Å²	194	52.1 Å²	52.1	73%	0.732	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-49	-174.7	171.7	174.6	48.3	174.5	-7.8	111.4	R116 D150	R116-R152 PolarHBondContact NE-O 2.67Å; R116-R152 PolarHBondContact NH2-O 2.81Å; D150-R152 VanDerWaalsContact C-N 3.3Å; D150-R152 PolarHBondContact O-N 3.29Å; D150-R152 VanDerWaalsContact OD1-CA 3.31Å; D150-R152 WeakPolarHBondContact OD1-CA 3.44Å; D150-R152 VanDerWaalsContact OD1-CB 3.32Å; D150-R152 WeakPolarHBondContact OD1-CB 3.4Å; D150-R152 PolarHBondContact OD1-N 2.81Å
153	T	93.6	Very high	95.9	Very high	77 Å²	77	49.2 Å²	49.2	47%	0.472	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.1	-176.8	67	0	0	0	0	112.4	D150 T155	D150-T153 VanDerWaalsContact CB-OG1 3.28Å; D150-T153 WeakPolarHBondContact CB-OG1 3.47Å; D150-T153 PolarHBondContact OD1-N 2.68Å; D150-T153 PolarHBondContact OD1-OG1 3.49Å; T153-T155 VanDerWaalsContact C-N 3.3Å; T153-T155 PolarHBondContact OG1-N 2.77Å; T153-T155 PolarHBondContact OG1-OG1 3.04Å
154	G	92.6	Very high	95.8	Very high	25 Å²	25	52.7 Å²	52.7	26%	0.258	27%	0.272	S	S	.	.			trans	81.9	7.3	-172.6	0	0	0	0	0	114	F118 D150	F118-G154 WeakPolarHBondContact CD1-O 3.36Å; D150-G154 WeakPolarHBondContact O-CA 3.16Å; D150-G154 PolarHBondContact O-N 2.77Å
155	T	95	Very high	95.8	Very high	73 Å²	73	51.9 Å²	51.9	45%	0.448	27%	0.271	S	S	.	.			trans	-96.5	150.3	-173.1	60.4	0	0	0	0	112.3	W149 D150 T153 L157	W149-T155 WeakPolarHBondContact CA-O 3.36Å; D150-T155 PolarHBondContact N-O 2.82Å; T153-T155 VanDerWaalsContact C-N 3.3Å; T153-T155 PolarHBondContact OG1-N 2.77Å; T153-T155 PolarHBondContact OG1-OG1 3.04Å; T155-L157 PolarHBondContact O-N 3.19Å
156	Q	96.8	Very high	95.8	Very high	77 Å²	77	50.4 Å²	50.4	36%	0.36	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125.3	167.1	-169.5	-157.7	-87.2	0	0	109.4	W149	W149-Q156 HydrophobicContact CE3-CB 3.74Å; W149-Q156 HydrophobicContact CE3-CG 4.16Å; W149-Q156 HydrophobicContact CH2-CB 4.45Å; W149-Q156 HydrophobicContact CH2-CG 4.39Å; W149-Q156 HydrophobicContact CZ3-CB 3.61Å; W149-Q156 HydrophobicContact CZ3-CG 3.98Å
157	L	96.4	Very high	95.8	Very high	71 Å²	71	50.4 Å²	50.4	37%	0.372	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-48.2	176.5	-65.6	178.3	0	0	0	111.7	I148 D150 T155	I148-L157 HydrophobicContact CG2-CB 4.45Å; I148-L157 HydrophobicContact CG2-CD1 4.34Å; I148-L157 PolarHBondContact O-N 2.84Å; D150-L157 HydrophobicContact CB-CD1 3.87Å; D150-L157 HydrophobicContact CB-CD2 3.93Å; D150-L157 HydrophobicContact CB-CG 3.84Å; T155-L157 PolarHBondContact O-N 3.19Å
158	H	95.8	Very high	95.8	Very high	62 Å²	62	50.4 Å²	50.4	29%	0.287	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.3	-173.6	-57.6	-65.9	0	0	0	112	M147 I148 R194 A196	M147-H158 WeakPolarHBondContact CA-O 3.29Å; I148-H158 HydrophobicContact CB-CB 4.18Å; I148-H158 HydrophobicContact CG1-CB 4.15Å; I148-H158 PolarHBondContact N-O 3.08Å; I148-H158 PolarHBondContact O-N 2.95Å; H158-R194 PolarHBondContact NE2-O 2.77Å; H158-A196 HydrophobicContact CB-CB 3.76Å
159	I	96.8	Very high	95.8	Very high	66 Å²	66	50.5 Å²	50.5	34%	0.338	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.2	164.8	-53.4	178.2	0	0	0	106.6	K145 M147 Q161	K145-I159 HydrophobicContact CB-CG2 4.11Å; K145-I159 HydrophobicContact CD-CG2 3.97Å; K145-I159 HydrophobicContact CG-CG2 3.98Å; M147-I159 HydrophobicContact CE-CD1 4.27Å; M147-I159 HydrophobicContact CE-CG1 4.41Å; M147-I159 HydrophobicContact CG-CG1 4.38Å; I159-Q161 HydrophobicContact CG2-CG 3.88Å
160	M	95.8	Very high	95.9	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.2	172.9	-67.5	166.8	-174.5	0	0	107.8	V146 I148 L179 W191 A196	V146-M160 HydrophobicContact CB-CB 4Å; V146-M160 HydrophobicContact CB-SD 4.49Å; V146-M160 HydrophobicContact CG1-CB 4.39Å; V146-M160 HydrophobicContact CG1-SD 3.91Å; V146-M160 PolarHBondContact N-O 2.84Å; V146-M160 PolarHBondContact O-N 3.37Å; I148-M160 HydrophobicContact CD1-CE 3.76Å; I148-M160 HydrophobicContact CD1-SD 4.29Å; I148-M160 HydrophobicContact CG1-CE 3.63Å; I148-M160 HydrophobicContact CG1-SD 4.42Å; M160-L179 HydrophobicContact CE-CD2 4.34Å; M160-L179 HydrophobicContact SD-CD2 3.89Å; M160-W191 HydrophobicContact CB-CD2 4.05Å; M160-W191 HydrophobicContact CB-CE3 3.8Å; M160-W191 HydrophobicContact CB-CH2 4.08Å; M160-W191 HydrophobicContact CB-CZ2 4.29Å; M160-W191 HydrophobicContact CB-CZ3 3.82Å; M160-W191 HydrophobicContact CE-CB 3.94Å; M160-W191 HydrophobicContact CE-CG 4.48Å; M160-W191 HydrophobicContact CG-CD2 4.12Å; M160-W191 HydrophobicContact CG-CE3 3.92Å; M160-W191 HydrophobicContact CG-CG 4.45Å; M160-W191 HydrophobicContact CG-CZ3 4.4Å; M160-W191 HydrophobicContact SD-CB 3.7Å; M160-W191 HydrophobicContact SD-CD2 3.83Å; M160-W191 HydrophobicContact SD-CE3 4.22Å; M160-W191 HydrophobicContact SD-CG 3.58Å; M160-W191 VanDerWaalsContact SD-CG 3.58Å; M160-A196 HydrophobicContact CE-CB 4.15Å; M160-A196 HydrophobicContact CG-CB 3.79Å
161	Q	92.4	Very high	96	Very high	141 Å²	141	51.2 Å²	51.2	66%	0.659	27%	0.272	S	S	*	.			trans	-109.8	144.3	-179.2	-63.2	-174.9	-59.8	0	0	110.5	I159 W191	I159-Q161 HydrophobicContact CG2-CG 3.88Å; Q161-W191 WeakPolarHBondContact O-CH2 3.38Å
162	G	90.9	Very high	96.1	Very high	25 Å²	25	50.7 Å²	50.7	26%	0.258	27%	0.268	S	S	.	.			trans	153.2	-19.7	174.6	0	0	0	0	0	114.6	R189	G162-R189 VanDerWaalsContact C-NE 3.29Å; G162-R189 PolarHBondContact O-NE 3.16Å; G162-R189 VanDerWaalsContact O-NE 3.14Å; G162-R189 PolarHBondContact O-NH2 2.89Å
163	H	95.6	Very high	96.3	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.042	24%	0.236	C	C	.	.			trans	-70	142.1	164.7	-73.8	-65.3	0	0	0	109.4	V167 S181 G183 D185 V187	H163-V167 HydrophobicContact CB-CG2 4.25Å; H163-S181 PolarHBondContact NE2-OG 2.93Å; H163-G183 PolarHBondContact CE1-N 3.26Å; H163-D185 VanDerWaalsContact CA-OD2 3.23Å; H163-D185 WeakPolarHBondContact CA-OD2 3.38Å; H163-D185 IonicContact CE1-OD1 3.76Å; H163-D185 IonicContact CE1-OD2 3.89Å; H163-D185 IonicContact CG-OD2 3.54Å; H163-D185 IonicContact ND1-OD1 2.73Å; H163-D185 PolarHBondContact ND1-OD1 2.98Å; H163-D185 IonicContact ND1-OD2 2.8Å; H163-D185 PolarHBondContact ND1-OD2 3.37Å; H163-V187 PolarHBondContact CE1-O 3.08Å
164	T	96.2	Very high	96.4	Very high	90 Å²	90	46.2 Å²	46.2	55%	0.552	24%	0.243	S	C	*	.	S	Bend	trans	-109.6	8.1	179.5	55.7	0	0	0	0	112.5	D185	T164-D185 PolarHBondContact N-OD2 2.98Å; T164-D185 WeakPolarHBondContact OG1-CB 3.21Å
165	D	97.2	Very high	96.5	Very high	69 Å²	69	49.4 Å²	49.4	37%	0.369	25%	0.254	S	S	.	.	S	Bend	trans	-151	166.9	-179.6	-84.2	-48.3	0	0	0	108.5	V167 F184 D185	D165-V167 PolarHBondContact O-N 2.87Å; D165-F184 HydrophobicContact CB-CB 3.81Å; D165-D185 HydrophobicContact CB-CB 4.01Å; D165-D185 WeakPolarHBondContact OD2-CA 3.4Å; D165-D185 PolarHBondContact OD2-N 2.92Å
166	P	98.2	Very high	96.6	Very high	26 Å²	26	46.2 Å²	46.2	17%	0.169	24%	0.236	C	C	.	.			trans	-46.5	136.9	-178.8	-33.5	38	0	0	0	114.6	F142 G183 F184	F142-P166 HydrophobicContact CB-CB 4.37Å; F142-P166 HydrophobicContact CB-CG 4.43Å; F142-P166 HydrophobicContact CD1-CB 4.13Å; F142-P166 HydrophobicContact CD1-CG 3.92Å; F142-P166 HydrophobicContact CD2-CB 3.99Å; F142-P166 HydrophobicContact CE1-CB 4.42Å; F142-P166 HydrophobicContact CE1-CG 4.32Å; F142-P166 HydrophobicContact CE2-CB 4.26Å; F142-P166 HydrophobicContact CG-CB 3.9Å; F142-P166 HydrophobicContact CG-CG 4.09Å; F142-P166 HydrophobicContact CZ-CB 4.47Å; P166-G183 WeakPolarHBondContact O-CA 3.33Å; P166-F184 HydrophobicContact CB-CD2 4.05Å; P166-F184 WeakPolarHBondContact O-CD2 3.33Å; P166-F184 PolarHBondContact O-N 3.28Å
167	V	98.7	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.2	175.8	-176.1	0	0	0	0	109.7	S141 V146 H163 D165 V170 S182	S141-V167 PolarHBondContact O-N 3.23Å; V146-V167 HydrophobicContact CG2-CG1 3.86Å; V146-V167 HydrophobicContact CG2-CG2 4.03Å; H163-V167 HydrophobicContact CB-CG2 4.25Å; D165-V167 PolarHBondContact O-N 2.87Å; V167-V170 HydrophobicContact CG1-CG1 4.12Å; V167-S182 CarbonylContact C-O 3.6Å; V167-S182 WeakPolarHBondContact CA-O 3.4Å; V167-S182 WeakPolarHBondContact CG1-O 3.36Å
168	S	98.6	Very high	96.6	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-30.8	-174.3	62.4	0	0	0	0	113.9	F126 S182 V226 S227	F126-S168 VanDerWaalsContact CD1-O 3.26Å; F126-S168 WeakPolarHBondContact CD1-O 3.27Å; F126-S168 VanDerWaalsContact CE1-O 3.25Å; F126-S168 WeakPolarHBondContact CE1-O 3.35Å; S168-S182 PolarHBondContact N-O 2.72Å; S168-S182 WeakPolarHBondContact OG-CB 3.44Å; S168-S182 PolarHBondContact OG-O 2.92Å; S168-S182 VanDerWaalsContact OG-O 3.09Å; S168-S182 PolarHBondContact OG-OG 3.38Å; S168-V226 WeakPolarHBondContact CB-O 3.37Å; S168-V226 PolarHBondContact OG-O 2.92Å; S168-S227 WeakPolarHBondContact CB-O 3.39Å
169	A	98.7	Very high	96.8	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	153.8	177.7	0	0	0	0	0	112.3	C127 S181 S182 F228 V229	C127-A169 VanDerWaalsContact SG-C 3.54Å; C127-A169 WeakPolarHBondContact SG-CA 3.07Å; A169-S181 VanDerWaalsContact O-CA 3.23Å; A169-S181 WeakPolarHBondContact O-CA 3.26Å; A169-S182 PolarHBondContact N-OG 3.03Å; A169-S182 PolarHBondContact O-N 2.73Å; A169-S182 VanDerWaalsContact O-N 3.1Å; A169-F228 HydrophobicContact CB-CD2 3.96Å; A169-F228 HydrophobicContact CB-CE2 4.38Å; A169-V229 HydrophobicContact CB-CG1 4.03Å
170	V	98.7	Very high	96.8	Very high	7 Å²	7	37 Å²	37	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.7	171	-65.1	0	0	0	0	110.3	C127 N129 A138 V146 V167 L179 C180	C127-V170 HydrophobicContact CB-CG2 4.36Å; N129-V170 HydrophobicContact CB-CG2 4.4Å; N129-V170 PolarHBondContact ND2-O 3.39Å; A138-V170 HydrophobicContact CB-CB 4.49Å; A138-V170 HydrophobicContact CB-CG2 4.26Å; V146-V170 HydrophobicContact CG1-CG1 4.07Å; V146-V170 HydrophobicContact CG2-CG1 3.92Å; V167-V170 HydrophobicContact CG1-CG1 4.12Å; V170-L179 HydrophobicContact CB-CD1 4.45Å; V170-C180 CarbonylContact C-O 3.52Å; V170-C180 VanDerWaalsContact CA-O 3.31Å; V170-C180 WeakPolarHBondContact CA-O 3.5Å
171	H	98.7	Very high	97	Very high	33 Å²	33	37 Å²	37	15%	0.153	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	128.7	179	-164.2	-83.4	0	0	0	112.1	N129 C180 R230 F231	N129-H171 PolarHBondContact ND2-CD2 3.47Å; H171-C180 PolarHBondContact N-O 3.35Å; H171-C180 PolarHBondContact O-N 3.27Å; H171-R230 HydrophobicContact CB-CB 4.07Å; H171-R230 PolarHBondContact NE2-NH2 2.52Å; H171-F231 PolarHBondContact ND1-N 3.24Å; H171-F231 WeakPolarHBondContact O-CD2 3.39Å; H171-F231 WeakPolarHBondContact O-CE2 3.37Å
172	Y	98.4	Very high	97.2	Very high	10 Å²	10	30.2 Å²	30.2	4%	0.039	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	149.2	172.5	-81.3	-82.3	0	0	0	110.9	F130 A138 L178 L179	F130-Y172 VanDerWaalsContact O-CD2 3.22Å; F130-Y172 WeakPolarHBondContact O-CD2 3.35Å; A138-Y172 HydrophobicContact CB-CD2 4.35Å; A138-Y172 HydrophobicContact CB-CE2 3.57Å; Y172-L178 WeakPolarHBondContact CA-O 3.33Å; Y172-L179 HydrophobicContact CD1-CD1 4.02Å; Y172-L179 HydrophobicContact CD2-CD1 3.73Å; Y172-L179 HydrophobicContact CE1-CD1 4.18Å; Y172-L179 HydrophobicContact CE2-CD1 3.89Å; Y172-L179 HydrophobicContact CG-CD1 3.82Å
173	N	97.7	Very high	97.5	Very high	14 Å²	14	29 Å²	29	8%	0.075	15%	0.152	C	C	.	.			trans	-75.4	176.2	165.2	74.6	-22.9	0	0	0	110.3	P132 D175 G176 S177 L178 F231	P132-N173 WeakPolarHBondContact CG-O 3.23Å; N173-D175 VanDerWaalsContact C-N 3.3Å; N173-D175 VanDerWaalsContact CG-OD1 3.24Å; N173-D175 PolarHBondContact ND2-OD1 2.82Å; N173-D175 PolarHBondContact O-N 3.28Å; N173-D175 PolarHBondContact OD1-OD1 2.9Å; N173-G176 PolarHBondContact O-N 2.72Å; N173-G176 VanDerWaalsContact O-N 3.17Å; N173-G176 WeakPolarHBondContact OD1-CA 3.36Å; N173-G176 PolarHBondContact OD1-N 2.9Å; N173-S177 PolarHBondContact ND2-OG 2.92Å; N173-S177 VanDerWaalsContact ND2-OG 3.14Å; N173-S177 PolarHBondContact OD1-N 2.83Å; N173-L178 HydrophobicContact CB-CB 4.24Å; N173-L178 PolarHBondContact N-O 3.16Å; N173-L178 PolarHBondContact OD1-N 3.27Å; N173-L178 PolarHBondContact OD1-O 3.11Å; N173-L178 VanDerWaalsContact OD1-O 3.1Å; N173-F231 HydrophobicContact CB-CD1 4.17Å; N173-F231 HydrophobicContact CB-CD2 3.72Å; N173-F231 HydrophobicContact CB-CE1 4.24Å; N173-F231 HydrophobicContact CB-CE2 3.77Å; N173-F231 HydrophobicContact CB-CG 3.91Å; N173-F231 HydrophobicContact CB-CZ 4.05Å
174	R	95	Very high	97.5	Very high	162 Å²	162	31.2 Å²	31.2	61%	0.611	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-34	-171.5	-178.2	179.9	178.8	-171.8	0	115	P132 P233	P132-R174 VanDerWaalsContact CG-O 3.28Å; P132-R174 WeakPolarHBondContact CG-O 3.46Å; R174-P233 WeakPolarHBondContact CD-O 3.13Å
175	D	95.6	Very high	97.5	Very high	92 Å²	92	27.5 Å²	27.5	49%	0.492	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-3.5	-178.9	63.5	11.2	0	0	0	113.2	Q133 N173 S177	Q133-D175 PolarHBondContact NE2-O 3.3Å; N173-D175 VanDerWaalsContact C-N 3.3Å; N173-D175 VanDerWaalsContact CG-OD1 3.24Å; N173-D175 PolarHBondContact ND2-OD1 2.82Å; N173-D175 PolarHBondContact O-N 3.28Å; N173-D175 PolarHBondContact OD1-OD1 2.9Å; D175-S177 VanDerWaalsContact C-N 3.27Å; D175-S177 VanDerWaalsContact CG-OG 3.3Å; D175-S177 PolarHBondContact O-N 3.31Å; D175-S177 VanDerWaalsContact OD1-CB 3.26Å; D175-S177 WeakPolarHBondContact OD1-CB 3.31Å; D175-S177 PolarHBondContact OD1-N 3.39Å; D175-S177 PolarHBondContact OD1-OG 2.84Å; D175-S177 PolarHBondContact OD2-OG 2.99Å
176	G	96.3	Very high	97.3	Very high	7 Å²	7	24.4 Å²	24.4	7%	0.072	12%	0.123	C	C	.	.	S	Bend	trans	79.8	-0.7	-179.1	0	0	0	0	0	114.6	N173 L178 S193	N173-G176 PolarHBondContact O-N 2.72Å; N173-G176 VanDerWaalsContact O-N 3.17Å; N173-G176 WeakPolarHBondContact OD1-CA 3.36Å; N173-G176 PolarHBondContact OD1-N 2.9Å; G176-L178 VanDerWaalsContact C-N 3.32Å; G176-L178 PolarHBondContact O-N 3.29Å; G176-S193 VanDerWaalsContact O-CB 3.26Å; G176-S193 WeakPolarHBondContact O-CB 3.22Å; G176-S193 PolarHBondContact O-OG 2.75Å
177	S	96.6	Very high	97.1	Very high	50 Å²	50	23.5 Å²	23.5	35%	0.35	12%	0.117	S	C	.	.	S	Bend	trans	-70.8	-26.5	-178.8	62.4	0	0	0	0	113.7	N173 D175 S193	N173-S177 PolarHBondContact ND2-OG 2.92Å; N173-S177 VanDerWaalsContact ND2-OG 3.14Å; N173-S177 PolarHBondContact OD1-N 2.83Å; D175-S177 VanDerWaalsContact C-N 3.27Å; D175-S177 VanDerWaalsContact CG-OG 3.3Å; D175-S177 PolarHBondContact O-N 3.31Å; D175-S177 VanDerWaalsContact OD1-CB 3.26Å; D175-S177 WeakPolarHBondContact OD1-CB 3.31Å; D175-S177 PolarHBondContact OD1-N 3.39Å; D175-S177 PolarHBondContact OD1-OG 2.84Å; D175-S177 PolarHBondContact OD2-OG 2.99Å; S177-S193 PolarHBondContact O-N 2.96Å; S177-S193 PolarHBondContact O-OG 2.91Å; S177-S193 VanDerWaalsContact O-OG 3.13Å
178	L	97.6	Very high	97	Very high	33 Å²	33	23.7 Å²	23.7	17%	0.173	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146	178.7	-59.3	177.1	0	0	0	111.3	Y172 N173 G176 I190 W191 F231 F252	Y172-L178 WeakPolarHBondContact CA-O 3.33Å; N173-L178 HydrophobicContact CB-CB 4.24Å; N173-L178 PolarHBondContact N-O 3.16Å; N173-L178 PolarHBondContact OD1-N 3.27Å; N173-L178 PolarHBondContact OD1-O 3.11Å; N173-L178 VanDerWaalsContact OD1-O 3.1Å; G176-L178 VanDerWaalsContact C-N 3.32Å; G176-L178 PolarHBondContact O-N 3.29Å; L178-I190 HydrophobicContact CB-CG2 4.36Å; L178-I190 HydrophobicContact CD1-CG2 4.19Å; L178-I190 HydrophobicContact CD2-CG2 4.33Å; L178-W191 VanDerWaalsContact CA-O 3.27Å; L178-W191 WeakPolarHBondContact CA-O 3.44Å; L178-F231 HydrophobicContact CB-CE2 4.39Å; L178-F231 HydrophobicContact CB-CZ 3.97Å; L178-F252 HydrophobicContact CD1-CE2 4.03Å; L178-F252 HydrophobicContact CD1-CZ 4.26Å
179	L	98.3	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.2	166.9	-173.4	78.7	0	0	0	108.5	A138 V146 I148 M160 V170 Y172 I190 W191	A138-L179 HydrophobicContact CB-CD1 3.61Å; A138-L179 HydrophobicContact CB-CD2 3.8Å; A138-L179 HydrophobicContact CB-CG 4.4Å; V146-L179 HydrophobicContact CG1-CD2 3.63Å; I148-L179 HydrophobicContact CD1-CD2 3.93Å; M160-L179 HydrophobicContact CE-CD2 4.34Å; M160-L179 HydrophobicContact SD-CD2 3.89Å; V170-L179 HydrophobicContact CB-CD1 4.45Å; Y172-L179 HydrophobicContact CD1-CD1 4.02Å; Y172-L179 HydrophobicContact CD2-CD1 3.73Å; Y172-L179 HydrophobicContact CE1-CD1 4.18Å; Y172-L179 HydrophobicContact CE2-CD1 3.89Å; Y172-L179 HydrophobicContact CG-CD1 3.82Å; L179-I190 CarbonylContact O-C 3.52Å; L179-I190 WeakPolarHBondContact O-CA 3.48Å; L179-W191 HydrophobicContact CB-CB 4.4Å; L179-W191 PolarHBondContact N-O 3.42Å; L179-W191 VanDerWaalsContact O-CD1 3.31Å; L179-W191 PolarHBondContact O-N 2.86Å
180	C	98.2	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145	164.9	67.1	0	0	0	0	110.1	V170 H171 R189 V229 F231 I238	V170-C180 CarbonylContact C-O 3.52Å; V170-C180 VanDerWaalsContact CA-O 3.31Å; V170-C180 WeakPolarHBondContact CA-O 3.5Å; H171-C180 PolarHBondContact N-O 3.35Å; H171-C180 PolarHBondContact O-N 3.27Å; C180-R189 CarbonylContact C-O 3.59Å; C180-R189 VanDerWaalsContact CA-O 3.27Å; C180-R189 WeakPolarHBondContact CA-O 3.39Å; C180-V229 HydrophobicContact CB-CG2 4.46Å; C180-F231 HydrophobicContact CB-CD2 4.22Å; C180-F231 HydrophobicContact CB-CE2 3.61Å; C180-F231 HydrophobicContact CB-CZ 3.85Å; C180-F231 VanDerWaalsContact SG-CD2 3.58Å; C180-I238 HydrophobicContact CB-CD1 3.96Å
181	S	98.6	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.4	172.3	65.9	0	0	0	0	111.1	H163 A169 V188 R189 W191	H163-S181 PolarHBondContact NE2-OG 2.93Å; A169-S181 VanDerWaalsContact O-CA 3.23Å; A169-S181 WeakPolarHBondContact O-CA 3.26Å; S181-V188 CarbonylContact O-C 3.59Å; S181-V188 VanDerWaalsContact O-CA 3.3Å; S181-V188 WeakPolarHBondContact O-CA 3.48Å; S181-R189 PolarHBondContact N-O 3.02Å; S181-R189 PolarHBondContact O-N 2.65Å; S181-W191 PolarHBondContact OG-NE1 2.78Å
182	S	98	Very high	96.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.1	172.6	52	0	0	0	0	110.9	V167 S168 A169 V187 V229	V167-S182 CarbonylContact C-O 3.6Å; V167-S182 WeakPolarHBondContact CA-O 3.4Å; V167-S182 WeakPolarHBondContact CG1-O 3.36Å; S168-S182 PolarHBondContact N-O 2.72Å; S168-S182 WeakPolarHBondContact OG-CB 3.44Å; S168-S182 PolarHBondContact OG-O 2.92Å; S168-S182 VanDerWaalsContact OG-O 3.09Å; S168-S182 PolarHBondContact OG-OG 3.38Å; A169-S182 PolarHBondContact N-OG 3.03Å; A169-S182 PolarHBondContact O-N 2.73Å; A169-S182 VanDerWaalsContact O-N 3.1Å; S182-V187 WeakPolarHBondContact CA-O 3.39Å; S182-V229 WeakPolarHBondContact OG-CG1 3.42Å
183	G	96.7	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	166.1	177.9	0	0	0	0	0	113.2	H163 P166 D185 G186 V187 V226	H163-G183 PolarHBondContact CE1-N 3.26Å; P166-G183 WeakPolarHBondContact O-CA 3.33Å; G183-D185 WeakPolarHBondContact CA-OD1 3.49Å; G183-D185 PolarHBondContact O-N 2.89Å; G183-G186 PolarHBondContact O-N 2.82Å; G183-V187 PolarHBondContact N-O 3.28Å; G183-V226 PolarHBondContact O-N 2.94Å; G183-V226 VanDerWaalsContact O-N 3.09Å
184	F	96.2	Very high	96.4	Very high	55 Å²	55	34.2 Å²	34.2	24%	0.241	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.3	170.9	-81	-102.1	0	0	0	113	D165 P166 G186 P225 L243 C270	D165-F184 HydrophobicContact CB-CB 3.81Å; P166-F184 HydrophobicContact CB-CD2 4.05Å; P166-F184 WeakPolarHBondContact O-CD2 3.33Å; P166-F184 PolarHBondContact O-N 3.28Å; F184-G186 PolarHBondContact O-N 3.45Å; F184-G186 VanDerWaalsContact O-N 3.12Å; F184-P225 HydrophobicContact CB-CB 4.34Å; F184-P225 HydrophobicContact CD1-CB 3.72Å; F184-P225 HydrophobicContact CD1-CG 4.28Å; F184-P225 HydrophobicContact CE1-CB 4.4Å; F184-P225 HydrophobicContact CG-CB 4.25Å; F184-L243 HydrophobicContact CD1-CD1 4.41Å; F184-L243 HydrophobicContact CE1-CD1 3.85Å; F184-C270 VanDerWaalsContact CZ-SG 3.6Å
185	D	94.7	Very high	96.4	Very high	11 Å²	11	29.9 Å²	29.9	6%	0.059	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-2.9	170	62.9	-0.1	0	0	0	113.5	H163 T164 D165 G183 V187 R223	H163-D185 VanDerWaalsContact CA-OD2 3.23Å; H163-D185 WeakPolarHBondContact CA-OD2 3.38Å; H163-D185 IonicContact CE1-OD1 3.76Å; H163-D185 IonicContact CE1-OD2 3.89Å; H163-D185 IonicContact CG-OD2 3.54Å; H163-D185 IonicContact ND1-OD1 2.73Å; H163-D185 PolarHBondContact ND1-OD1 2.98Å; H163-D185 IonicContact ND1-OD2 2.8Å; H163-D185 PolarHBondContact ND1-OD2 3.37Å; T164-D185 PolarHBondContact N-OD2 2.98Å; T164-D185 WeakPolarHBondContact OG1-CB 3.21Å; D165-D185 HydrophobicContact CB-CB 4.01Å; D165-D185 WeakPolarHBondContact OD2-CA 3.4Å; D165-D185 PolarHBondContact OD2-N 2.92Å; G183-D185 WeakPolarHBondContact CA-OD1 3.49Å; G183-D185 PolarHBondContact O-N 2.89Å; D185-V187 VanDerWaalsContact C-N 3.32Å; D185-V187 HydrophobicContact CB-CG2 4.41Å; D185-V187 PolarHBondContact O-N 2.89Å; D185-V187 PolarHBondContact OD1-N 3.21Å; D185-R223 WeakPolarHBondContact O-CD 3.48Å
186	G	94.1	Very high	96.3	Very high	4 Å²	4	26.3 Å²	26.3	4%	0.041	13%	0.134	C	C	.	.	S	Bend	trans	76.7	15.7	179.4	0	0	0	0	0	114.1	G183 F184 Q224	G183-G186 PolarHBondContact O-N 2.82Å; F184-G186 PolarHBondContact O-N 3.45Å; F184-G186 VanDerWaalsContact O-N 3.12Å; G186-Q224 VanDerWaalsContact CA-O 3.32Å; G186-Q224 WeakPolarHBondContact CA-O 3.47Å
187	V	94.7	Very high	96.3	Very high	8 Å²	8	32.1 Å²	32.1	5%	0.048	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139	-176.5	-170	0	0	0	0	110.9	H163 S182 G183 D185 R189 T203	H163-V187 PolarHBondContact CE1-O 3.08Å; S182-V187 WeakPolarHBondContact CA-O 3.39Å; G183-V187 PolarHBondContact N-O 3.28Å; D185-V187 VanDerWaalsContact C-N 3.32Å; D185-V187 HydrophobicContact CB-CG2 4.41Å; D185-V187 PolarHBondContact O-N 2.89Å; D185-V187 PolarHBondContact OD1-N 3.21Å; V187-R189 HydrophobicContact CG1-CG 3.82Å; V187-T203 HydrophobicContact CG1-CG2 4.25Å; V187-T203 HydrophobicContact CG2-CG2 4.12Å
188	V	96.6	Very high	96.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.4	160.4	173.2	0	0	0	0	108.7	S181 S201 L202 V226 V229 I238 A240	S181-V188 CarbonylContact O-C 3.59Å; S181-V188 VanDerWaalsContact O-CA 3.3Å; S181-V188 WeakPolarHBondContact O-CA 3.48Å; V188-S201 CarbonylContact O-C 3.28Å; V188-S201 WeakPolarHBondContact O-CA 3.46Å; V188-L202 HydrophobicContact CB-CB 4.2Å; V188-L202 HydrophobicContact CG1-CD1 4.28Å; V188-L202 PolarHBondContact N-O 2.94Å; V188-L202 PolarHBondContact O-N 2.85Å; V188-V226 HydrophobicContact CG2-CB 4.49Å; V188-V226 HydrophobicContact CG2-CG1 3.85Å; V188-V226 HydrophobicContact CG2-CG2 4.23Å; V188-V229 HydrophobicContact CG1-CG2 3.82Å; V188-V229 HydrophobicContact CG2-CG2 4.11Å; V188-I238 HydrophobicContact CG1-CD1 4.43Å; V188-I238 HydrophobicContact CG1-CG2 4.46Å; V188-A240 HydrophobicContact CG2-CB 4.09Å
189	R	97	Very high	96.1	Very high	37 Å²	37	33.4 Å²	33.4	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.5	177.1	-64.3	-179.7	172.1	-87.5	1.3	110.6	G162 C180 S181 V187 W191 S201	G162-R189 VanDerWaalsContact C-NE 3.29Å; G162-R189 PolarHBondContact O-NE 3.16Å; G162-R189 VanDerWaalsContact O-NE 3.14Å; G162-R189 PolarHBondContact O-NH2 2.89Å; C180-R189 CarbonylContact C-O 3.59Å; C180-R189 VanDerWaalsContact CA-O 3.27Å; C180-R189 WeakPolarHBondContact CA-O 3.39Å; S181-R189 PolarHBondContact N-O 3.02Å; S181-R189 PolarHBondContact O-N 2.65Å; V187-R189 HydrophobicContact CG1-CG 3.82Å; R189-W191 HydrophobicContact CB-CD2 4.49Å; R189-W191 HydrophobicContact CB-CH2 4.42Å; R189-W191 HydrophobicContact CB-CZ2 3.54Å; R189-W191 HydrophobicContact CG-CZ2 4.03Å; R189-S201 PolarHBondContact NH1-OG 3.41Å
190	I	97.3	Very high	95.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.8	175.3	-54.7	177.1	0	0	0	107.5	L178 L179 C198 V199 K200 F231 I238 F252	L178-I190 HydrophobicContact CB-CG2 4.36Å; L178-I190 HydrophobicContact CD1-CG2 4.19Å; L178-I190 HydrophobicContact CD2-CG2 4.33Å; L179-I190 CarbonylContact O-C 3.52Å; L179-I190 WeakPolarHBondContact O-CA 3.48Å; I190-C198 CarbonylContact O-C 3.52Å; I190-V199 PolarHBondContact O-N 3.03Å; I190-K200 HydrophobicContact CB-CB 4.23Å; I190-K200 HydrophobicContact CD1-CB 4.31Å; I190-K200 PolarHBondContact N-O 3.39Å; I190-K200 PolarHBondContact O-N 3.07Å; I190-F231 HydrophobicContact CG2-CZ 4.4Å; I190-I238 HydrophobicContact CD1-CD1 3.55Å; I190-I238 HydrophobicContact CG1-CD1 3.91Å; I190-F252 HydrophobicContact CD1-CB 3.43Å; I190-F252 VanDerWaalsContact CD1-CB 3.43Å; I190-F252 HydrophobicContact CD1-CD2 3.34Å; I190-F252 HydrophobicContact CD1-CE2 4.26Å; I190-F252 HydrophobicContact CD1-CG 3.57Å
191	W	97.7	Very high	95.5	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.3	-172.8	-44.7	88.2	0	0	0	109.5	M160 Q161 L178 L179 S181 R189 S193 Q197 C198	M160-W191 HydrophobicContact CB-CD2 4.05Å; M160-W191 HydrophobicContact CB-CE3 3.8Å; M160-W191 HydrophobicContact CB-CH2 4.08Å; M160-W191 HydrophobicContact CB-CZ2 4.29Å; M160-W191 HydrophobicContact CB-CZ3 3.82Å; M160-W191 HydrophobicContact CE-CB 3.94Å; M160-W191 HydrophobicContact CE-CG 4.48Å; M160-W191 HydrophobicContact CG-CD2 4.12Å; M160-W191 HydrophobicContact CG-CE3 3.92Å; M160-W191 HydrophobicContact CG-CG 4.45Å; M160-W191 HydrophobicContact CG-CZ3 4.4Å; M160-W191 HydrophobicContact SD-CB 3.7Å; M160-W191 HydrophobicContact SD-CD2 3.83Å; M160-W191 HydrophobicContact SD-CE3 4.22Å; M160-W191 HydrophobicContact SD-CG 3.58Å; M160-W191 VanDerWaalsContact SD-CG 3.58Å; Q161-W191 WeakPolarHBondContact O-CH2 3.38Å; L178-W191 VanDerWaalsContact CA-O 3.27Å; L178-W191 WeakPolarHBondContact CA-O 3.44Å; L179-W191 HydrophobicContact CB-CB 4.4Å; L179-W191 PolarHBondContact N-O 3.42Å; L179-W191 VanDerWaalsContact O-CD1 3.31Å; L179-W191 PolarHBondContact O-N 2.86Å; S181-W191 PolarHBondContact OG-NE1 2.78Å; R189-W191 HydrophobicContact CB-CD2 4.49Å; R189-W191 HydrophobicContact CB-CH2 4.42Å; R189-W191 HydrophobicContact CB-CZ2 3.54Å; R189-W191 HydrophobicContact CG-CZ2 4.03Å; W191-S193 PolarHBondContact O-N 2.82Å; W191-Q197 VanDerWaalsContact CA-O 3.3Å; W191-Q197 WeakPolarHBondContact CA-O 3.4Å; W191-C198 HydrophobicContact CD2-CB 4.5Å; W191-C198 HydrophobicContact CE3-CB 3.71Å; W191-C198 HydrophobicContact CH2-CB 4.33Å; W191-C198 HydrophobicContact CZ3-CB 3.61Å
192	D	97	Very high	95	Very high	37 Å²	37	35.1 Å²	35.1	20%	0.198	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.4	159.5	174.6	-66.7	0	0	0	107.3	R194 T195 A196 Q197 V199	D192-R194 PolarHBondContact O-N 3.42Å; D192-R194 PolarHBondContact OD1-N 2.91Å; D192-T195 VanDerWaalsContact CB-OG1 3.29Å; D192-T195 WeakPolarHBondContact CB-OG1 3.01Å; D192-T195 PolarHBondContact OD1-N 3.33Å; D192-T195 PolarHBondContact OD1-OG1 3.18Å; D192-A196 WeakPolarHBondContact O-CA 3.38Å; D192-A196 PolarHBondContact O-N 2.9Å; D192-Q197 PolarHBondContact N-O 3.17Å; D192-V199 HydrophobicContact CB-CG2 3.81Å
193	S	94.8	Very high	94.4	Very high	20 Å²	20	36.8 Å²	36.8	14%	0.14	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.5	-169	61.8	0	0	0	0	113.8	G176 S177 W191	G176-S193 VanDerWaalsContact O-CB 3.26Å; G176-S193 WeakPolarHBondContact O-CB 3.22Å; G176-S193 PolarHBondContact O-OG 2.75Å; S177-S193 PolarHBondContact O-N 2.96Å; S177-S193 PolarHBondContact O-OG 2.91Å; S177-S193 VanDerWaalsContact O-OG 3.13Å; W191-S193 PolarHBondContact O-N 2.82Å
194	R	93.1	Very high	92.8	Very high	193 Å²	193	38.9 Å²	38.9	73%	0.728	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-35.2	-174.9	174.4	175.2	49.2	155.4	-2.4	112.5	H158 D192	H158-R194 PolarHBondContact NE2-O 2.77Å; D192-R194 PolarHBondContact O-N 3.42Å; D192-R194 PolarHBondContact OD1-N 2.91Å
195	T	94.7	Very high	90.7	Very high	70 Å²	70	45.6 Å²	45.6	43%	0.429	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-12.4	-179.8	62.2	0	0	0	0	112.8	D192 Q197	D192-T195 VanDerWaalsContact CB-OG1 3.29Å; D192-T195 WeakPolarHBondContact CB-OG1 3.01Å; D192-T195 PolarHBondContact OD1-N 3.33Å; D192-T195 PolarHBondContact OD1-OG1 3.18Å; T195-Q197 PolarHBondContact O-N 3.09Å; T195-Q197 VanDerWaalsContact O-N 3.14Å; T195-Q197 PolarHBondContact OG1-N 2.79Å
196	A	94.7	Very high	88.3	Confident	18 Å²	18	52.7 Å²	52.7	15%	0.149	26%	0.262	C	S	.	.			trans	58.2	17.6	-173.6	0	0	0	0	0	114.4	H158 M160 D192	H158-A196 HydrophobicContact CB-CB 3.76Å; M160-A196 HydrophobicContact CE-CB 4.15Å; M160-A196 HydrophobicContact CG-CB 3.79Å; D192-A196 WeakPolarHBondContact O-CA 3.38Å; D192-A196 PolarHBondContact O-N 2.9Å
197	Q	95.6	Very high	86.1	Confident	129 Å²	129	54.2 Å²	54.2	60%	0.603	27%	0.271	S	S	*	.			trans	-83.1	137.1	177.9	-65.8	-61.5	-35.9	0	0	110.7	W191 D192 T195 V199	W191-Q197 VanDerWaalsContact CA-O 3.3Å; W191-Q197 WeakPolarHBondContact CA-O 3.4Å; D192-Q197 PolarHBondContact N-O 3.17Å; T195-Q197 PolarHBondContact O-N 3.09Å; T195-Q197 VanDerWaalsContact O-N 3.14Å; T195-Q197 PolarHBondContact OG1-N 2.79Å; Q197-V199 PolarHBondContact O-N 3.33Å
198	C	95.3	Very high	84	Confident	32 Å²	32	59.3 Å²	59.3	22%	0.216	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	109.2	171.2	-176.1	0	0	0	0	109.1	I190 W191 K200 S201	I190-C198 CarbonylContact O-C 3.52Å; W191-C198 HydrophobicContact CD2-CB 4.5Å; W191-C198 HydrophobicContact CE3-CB 3.71Å; W191-C198 HydrophobicContact CH2-CB 4.33Å; W191-C198 HydrophobicContact CZ3-CB 3.61Å; C198-K200 PolarHBondContact SG-O 3.15Å; C198-S201 PolarHBondContact SG-OG 2.86Å
199	V	94.7	Very high	81.9	Confident	77 Å²	77	64.5 Å²	64.5	47%	0.467	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-32.2	179.7	-178	0	0	0	0	111.1	I190 D192 Q197	I190-V199 PolarHBondContact O-N 3.03Å; D192-V199 HydrophobicContact CB-CG2 3.81Å; Q197-V199 PolarHBondContact O-N 3.33Å
200	K	92.2	Very high	79.5	Confident	26 Å²	26	68.5 Å²	68.5	11%	0.113	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	151.3	-177.1	-167.3	162.2	-74.7	-141	0	112.6	I190 C198 L202 C207 F252 S253	I190-K200 HydrophobicContact CB-CB 4.23Å; I190-K200 HydrophobicContact CD1-CB 4.31Å; I190-K200 PolarHBondContact N-O 3.39Å; I190-K200 PolarHBondContact O-N 3.07Å; C198-K200 PolarHBondContact SG-O 3.15Å; K200-L202 HydrophobicContact CD-CD2 4.17Å; K200-L202 HydrophobicContact CG-CD2 4.17Å; K200-C207 VanDerWaalsContact CD-SG 3.53Å; K200-C207 VanDerWaalsContact CG-SG 3.54Å; K200-F252 WeakPolarHBondContact CD-O 3.31Å; K200-F252 PolarHBondContact NZ-O 2.85Å; K200-S253 PolarHBondContact NZ-O 2.88Å
201	S	92.3	Very high	76.7	Confident	6 Å²	6	75.6 Å²	75.6	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.5	169.8	-58.6	0	0	0	0	110.6	V188 R189 C198 R208 F210	V188-S201 CarbonylContact O-C 3.28Å; V188-S201 WeakPolarHBondContact O-CA 3.46Å; R189-S201 PolarHBondContact NH1-OG 3.41Å; C198-S201 PolarHBondContact SG-OG 2.86Å; S201-R208 PolarHBondContact O-N 3.29Å; S201-R208 VanDerWaalsContact O-N 3.15Å; S201-F210 WeakPolarHBondContact OG-CE2 3.26Å
202	L	88.7	Confident	73.7	Confident	4 Å²	4	87.1 Å²	87.1	2%	0.021	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.4	176.6	-46.6	175.3	0	0	0	108.1	V188 K200 C207 W250 F252	V188-L202 HydrophobicContact CB-CB 4.2Å; V188-L202 HydrophobicContact CG1-CD1 4.28Å; V188-L202 PolarHBondContact N-O 2.94Å; V188-L202 PolarHBondContact O-N 2.85Å; K200-L202 HydrophobicContact CD-CD2 4.17Å; K200-L202 HydrophobicContact CG-CD2 4.17Å; L202-C207 HydrophobicContact CD2-CB 3.98Å; L202-W250 HydrophobicContact CD1-CB 4.18Å; L202-W250 HydrophobicContact CD1-CD2 4.26Å; L202-W250 HydrophobicContact CD1-CE3 4.29Å; L202-W250 HydrophobicContact CD1-CG 4.22Å; L202-F252 HydrophobicContact CD1-CB 4.03Å
203	T	84.5	Confident	71	Confident	36 Å²	36	89.2 Å²	89.2	22%	0.221	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	158.1	173	64	0	0	0	0	109.8	V187 R205 F206	V187-T203 HydrophobicContact CG1-CG2 4.25Å; V187-T203 HydrophobicContact CG2-CG2 4.12Å; T203-R205 PolarHBondContact O-N 3.21Å; T203-F206 PolarHBondContact N-O 3.14Å; T203-F206 PolarHBondContact O-N 3.04Å; T203-F206 PolarHBondContact OG1-O 3.28Å
204	G	62.3	Low	68.2	Low	44 Å²	44	95.7 Å²	95.7	45%	0.454	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-2.8	-163.7	0	0	0	0	0	118.9
205	R	53.4	Low	65.7	Low	195 Å²	195	94.3 Å²	94.3	74%	0.736	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.9	-12.4	168.9	-66.6	-171.7	-175.2	173.7	10.1	115.3	T203 D222	T203-R205 PolarHBondContact O-N 3.21Å; R205-D222 IonicContact CZ-OD2 3.92Å; R205-D222 IonicContact NH2-OD2 3.28Å; R205-D222 PolarHBondContact NH2-OD2 2.74Å
206	F	43.6	Very low	63.1	Low	160 Å²	160	95.4 Å²	95.4	70%	0.702	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.1	151.8	-175.4	-72.8	-83.4	0	0	0	112.2	T203	T203-F206 PolarHBondContact N-O 3.14Å; T203-F206 PolarHBondContact O-N 3.04Å; T203-F206 PolarHBondContact OG1-O 3.28Å
207	C	47.8	Very low	60.7	Low	36 Å²	36	102.2 Å²	102.2	24%	0.243	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.2	167.1	178.9	0	0	0	0	108.4	K200 L202 G255	K200-C207 VanDerWaalsContact CD-SG 3.53Å; K200-C207 VanDerWaalsContact CG-SG 3.54Å; L202-C207 HydrophobicContact CD2-CB 3.98Å; C207-G255 VanDerWaalsContact CB-CA 3.42Å; C207-G255 WeakPolarHBondContact CB-O 3.28Å
208	R	51.7	Low	58.4	Low	115 Å²	115	102 Å²	102	43%	0.434	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.2	171.8	-161	170.6	-178.7	170	0.6	108.4	S201	S201-R208 PolarHBondContact O-N 3.29Å; S201-R208 VanDerWaalsContact O-N 3.15Å
209	L	51.3	Low	56.2	Low	114 Å²	114	106.8 Å²	106.8	60%	0.597	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-84.6	128.3	162.6	-77.3	156.2	0	0	0	106.5	L211	L209-L211 PolarHBondContact O-N 3.48Å
210	F	47.4	Very low	54.2	Low	120 Å²	120	110.2 Å²	110.2	53%	0.526	54%	0.542	S	S	.	.			trans	-71.6	94.1	176.2	-74.3	-80.6	0	0	0	109.5	S201	S201-F210 WeakPolarHBondContact OG-CE2 3.26Å
211	L	36.9	Very low	52.3	Low	151 Å²	151	117.5 Å²	117.5	79%	0.791	58%	0.577	S	S	*	*			trans	-104.5	129.2	152.8	-69.4	172.5	0	0	0	106.4	L209 S213	L209-L211 PolarHBondContact O-N 3.48Å; L211-S213 PolarHBondContact O-N 3.06Å
212	Y	35	Very low	50.9	Low	246 Å²	246	122.1 Å²	122.1	97%	0.965	60%	0.601	S	S	*	*	S	Bend	trans	-42	105.2	-179.4	-68.9	-94.2	0	0	0	112
213	S	40.4	Very low	50.5	Low	82 Å²	82	127 Å²	127	57%	0.573	62%	0.619	S	S	*	*			trans	-154.5	103.4	165.5	-172.3	0	0	0	0	108.7	L211	L211-S213 PolarHBondContact O-N 3.06Å
214	L	36.8	Very low	50.9	Low	155 Å²	155	128.9 Å²	128.9	81%	0.812	63%	0.625	S	S	*	*			trans	-63.5	144.1	160.8	-79.6	114.3	0	0	0	108.4
215	H	39.4	Very low	52.4	Low	165 Å²	165	128.3 Å²	128.3	76%	0.764	61%	0.614	S	S	*	*			trans	86.5	90.7	-175	-53.2	83.5	0	0	0	113.5
216	D	41.6	Very low	54.5	Low	93 Å²	93	119.3 Å²	119.3	50%	0.497	58%	0.581	S	S	.	*			trans	-155.1	79	149.9	-140.1	7.9	0	0	0	109.7	L218	D216-L218 PolarHBondContact O-N 3.06Å; D216-L218 WeakPolarHBondContact OD1-CD1 3.45Å; D216-L218 VanDerWaalsContact OD1-CG 3.27Å; D216-L218 WeakPolarHBondContact OD1-CG 3.26Å
217	D	44.5	Very low	57.1	Low	161 Å²	161	111.7 Å²	111.7	86%	0.861	55%	0.547	S	S	*	.			trans	-74.5	46.3	170.9	-68.8	-32.3	0	0	0	111.1	L219	D217-L219 PolarHBondContact O-N 3.03Å
218	L	46.6	Very low	59.5	Low	123 Å²	123	111.2 Å²	111.2	64%	0.644	54%	0.541	S	S	*	.			trans	-90.1	90.4	177.9	-72.2	177.2	0	0	0	110.3	D216	D216-L218 PolarHBondContact O-N 3.06Å; D216-L218 WeakPolarHBondContact OD1-CD1 3.45Å; D216-L218 VanDerWaalsContact OD1-CG 3.27Å; D216-L218 WeakPolarHBondContact OD1-CG 3.26Å
219	L	48.4	Very low	61.8	Low	133 Å²	133	105.8 Å²	105.8	70%	0.696	52%	0.521	S	S	*	.			trans	37.9	94.3	160.4	-60.1	171.2	0	0	0	116.2	D217 E221	D217-L219 PolarHBondContact O-N 3.03Å; L219-E221 PolarHBondContact O-N 2.88Å
220	E	53	Low	64	Low	150 Å²	150	103 Å²	103	70%	0.701	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-63.4	-14.5	167.8	-65.5	-176.7	152.1	0	0	113.5	D222 R223	E220-D222 VanDerWaalsContact C-N 3.31Å; E220-D222 PolarHBondContact O-N 3.37Å; E220-R223 PolarHBondContact O-N 3.3Å
221	E	51.8	Low	66.4	Low	178 Å²	178	97.4 Å²	97.4	83%	0.832	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-68.8	-7.1	-161.3	-68	-173.6	155.6	0	0	117.4	L219	L219-E221 PolarHBondContact O-N 2.88Å
222	D	63.4	Low	69.3	Low	103 Å²	103	90.4 Å²	90.4	55%	0.551	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-122.7	16.7	-179.9	-161.4	23.7	0	0	0	114	R205 E220 Q224	R205-D222 IonicContact CZ-OD2 3.92Å; R205-D222 IonicContact NH2-OD2 3.28Å; R205-D222 PolarHBondContact NH2-OD2 2.74Å; E220-D222 VanDerWaalsContact C-N 3.31Å; E220-D222 PolarHBondContact O-N 3.37Å; D222-Q224 PolarHBondContact O-N 2.52Å
223	R	81.6	Confident	72.2	Confident	106 Å²	106	81.3 Å²	81.3	40%	0.4	41%	0.412	S	S	.	.			trans	-80.3	111.3	177.1	-66.7	-171.5	-167.2	156	11.9	110.7	D185 E220	D185-R223 WeakPolarHBondContact O-CD 3.48Å; E220-R223 PolarHBondContact O-N 3.3Å
224	Q	91.3	Very high	74.8	Confident	76 Å²	76	78.9 Å²	78.9	36%	0.355	39%	0.393	S	S	.	.			trans	-75.1	130.4	171.7	-60.9	-58.8	-41.1	0	0	110.1	G186 D222 V226 D244	G186-Q224 VanDerWaalsContact CA-O 3.32Å; G186-Q224 WeakPolarHBondContact CA-O 3.47Å; D222-Q224 PolarHBondContact O-N 2.52Å; Q224-V226 PolarHBondContact O-N 3.4Å; Q224-D244 HydrophobicContact CB-CB 4.46Å; Q224-D244 HydrophobicContact CG-CB 3.93Å
225	P	95.3	Very high	77.5	Confident	32 Å²	32	72.1 Å²	72.1	21%	0.208	36%	0.361	C	S	.	.			trans	-52.5	131.1	177.1	-29.6	35.9	0	0	0	111.9	F184 S227 T242 L243	F184-P225 HydrophobicContact CB-CB 4.34Å; F184-P225 HydrophobicContact CD1-CB 3.72Å; F184-P225 HydrophobicContact CD1-CG 4.28Å; F184-P225 HydrophobicContact CE1-CB 4.4Å; F184-P225 HydrophobicContact CG-CB 4.25Å; P225-S227 PolarHBondContact O-N 2.79Å; P225-T242 WeakPolarHBondContact O-CA 3.25Å; P225-L243 HydrophobicContact CB-CB 4.41Å; P225-L243 HydrophobicContact CB-CD1 3.81Å; P225-L243 HydrophobicContact CB-CG 4.05Å; P225-L243 HydrophobicContact CG-CD1 4.2Å; P225-L243 PolarHBondContact O-N 2.87Å
226	V	97.4	Very high	80.1	Confident	7 Å²	7	69 Å²	69	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	107.5	175.3	-174.7	0	0	0	0	107.5	S168 G183 V188 Q224 A240 A241 T242	S168-V226 WeakPolarHBondContact CB-O 3.37Å; S168-V226 PolarHBondContact OG-O 2.92Å; G183-V226 PolarHBondContact O-N 2.94Å; G183-V226 VanDerWaalsContact O-N 3.09Å; V188-V226 HydrophobicContact CG2-CB 4.49Å; V188-V226 HydrophobicContact CG2-CG1 3.85Å; V188-V226 HydrophobicContact CG2-CG2 4.23Å; Q224-V226 PolarHBondContact O-N 3.4Å; V226-A240 HydrophobicContact CG1-CB 4.21Å; V226-A241 CarbonylContact C-O 3.57Å; V226-T242 HydrophobicContact CB-CG2 4.44Å; V226-T242 HydrophobicContact CG2-CG2 3.9Å
227	S	97.6	Very high	82.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-21.3	-172.1	72.2	0	0	0	0	113.8	S168 P225 A241 L243 N266 C270	S168-S227 WeakPolarHBondContact CB-O 3.39Å; P225-S227 PolarHBondContact O-N 2.79Å; S227-A241 PolarHBondContact N-O 3.23Å; S227-A241 PolarHBondContact OG-O 3.05Å; S227-L243 VanDerWaalsContact CB-CD2 3.46Å; S227-N266 PolarHBondContact OG-ND2 2.9Å; S227-C270 WeakPolarHBondContact O-CB 3.4Å; S227-C270 PolarHBondContact O-SG 3.42Å; S227-C270 VanDerWaalsContact O-SG 3.39Å
228	F	98.6	Very high	85.3	Confident	26 Å²	26	58 Å²	58	11%	0.114	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	149.3	178.5	-177.2	-99.1	0	0	0	111.5	A169 R230 A240 A241 I271 V272 A273	A169-F228 HydrophobicContact CB-CD2 3.96Å; A169-F228 HydrophobicContact CB-CE2 4.38Å; F228-R230 HydrophobicContact CE1-CB 4.08Å; F228-R230 HydrophobicContact CE1-CG 3.89Å; F228-R230 HydrophobicContact CZ-CB 4.22Å; F228-R230 HydrophobicContact CZ-CG 4.38Å; F228-A240 CarbonylContact O-C 3.54Å; F228-A240 VanDerWaalsContact O-CA 3.3Å; F228-A240 WeakPolarHBondContact O-CA 3.49Å; F228-A241 HydrophobicContact CB-CB 4.14Å; F228-A241 PolarHBondContact N-O 2.78Å; F228-A241 PolarHBondContact O-N 3.25Å; F228-I271 WeakPolarHBondContact CB-O 3.19Å; F228-V272 HydrophobicContact CD2-CG2 4.31Å; F228-V272 HydrophobicContact CE1-CG1 4.41Å; F228-V272 HydrophobicContact CE2-CB 4.24Å; F228-V272 HydrophobicContact CE2-CG1 3.89Å; F228-V272 HydrophobicContact CE2-CG2 4.07Å; F228-V272 HydrophobicContact CZ-CG1 3.78Å; F228-A273 HydrophobicContact CD1-CB 4.18Å; F228-A273 HydrophobicContact CE1-CB 4.37Å; F228-A273 WeakPolarHBondContact CE1-O 3.09Å
229	V	98.5	Very high	87.7	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.8	172.7	74.9	0	0	0	0	112.2	A169 C180 S182 V188 I238 L239 A240	A169-V229 HydrophobicContact CB-CG1 4.03Å; C180-V229 HydrophobicContact CB-CG2 4.46Å; S182-V229 WeakPolarHBondContact OG-CG1 3.42Å; V188-V229 HydrophobicContact CG1-CG2 3.82Å; V188-V229 HydrophobicContact CG2-CG2 4.11Å; V229-I238 HydrophobicContact CG2-CG2 3.25Å; V229-L239 CarbonylContact C-O 3.59Å; V229-L239 VanDerWaalsContact CA-O 3.29Å; V229-L239 WeakPolarHBondContact CA-O 3.41Å; V229-A240 HydrophobicContact CG2-CB 4.38Å
230	R	98.5	Very high	90.1	Very high	54 Å²	54	46 Å²	46	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	157.8	165.4	70.2	-177.9	-50.5	163.3	8	113.9	H171 F228 I238 L239 A273 N274 F275	H171-R230 HydrophobicContact CB-CB 4.07Å; H171-R230 PolarHBondContact NE2-NH2 2.52Å; F228-R230 HydrophobicContact CE1-CB 4.08Å; F228-R230 HydrophobicContact CE1-CG 3.89Å; F228-R230 HydrophobicContact CZ-CB 4.22Å; F228-R230 HydrophobicContact CZ-CG 4.38Å; R230-I238 CarbonylContact O-C 3.5Å; R230-I238 WeakPolarHBondContact O-CA 3.49Å; R230-L239 HydrophobicContact CG-CB 4.2Å; R230-L239 PolarHBondContact N-O 2.75Å; R230-L239 PolarHBondContact O-N 3.32Å; R230-A273 WeakPolarHBondContact CD-O 3.33Å; R230-N274 PolarHBondContact NH1-OD1 3.31Å; R230-F275 HydrophobicContact CG-CE2 4.23Å
231	F	98.3	Very high	92.2	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	150.5	166.7	-74	-76.2	0	0	0	112.1	H171 N173 L178 C180 I190 Y237 I238 F252	H171-F231 PolarHBondContact ND1-N 3.24Å; H171-F231 WeakPolarHBondContact O-CD2 3.39Å; H171-F231 WeakPolarHBondContact O-CE2 3.37Å; N173-F231 HydrophobicContact CB-CD1 4.17Å; N173-F231 HydrophobicContact CB-CD2 3.72Å; N173-F231 HydrophobicContact CB-CE1 4.24Å; N173-F231 HydrophobicContact CB-CE2 3.77Å; N173-F231 HydrophobicContact CB-CG 3.91Å; N173-F231 HydrophobicContact CB-CZ 4.05Å; L178-F231 HydrophobicContact CB-CE2 4.39Å; L178-F231 HydrophobicContact CB-CZ 3.97Å; C180-F231 HydrophobicContact CB-CD2 4.22Å; C180-F231 HydrophobicContact CB-CE2 3.61Å; C180-F231 HydrophobicContact CB-CZ 3.85Å; C180-F231 VanDerWaalsContact SG-CD2 3.58Å; I190-F231 HydrophobicContact CG2-CZ 4.4Å; F231-Y237 CarbonylContact C-O 3.57Å; F231-Y237 WeakPolarHBondContact CA-O 3.21Å; F231-I238 HydrophobicContact CD1-CD1 4.27Å; F231-I238 HydrophobicContact CD1-CG1 3.71Å; F231-I238 HydrophobicContact CE1-CD1 3.82Å; F231-I238 HydrophobicContact CE1-CG1 3.77Å; F231-I238 HydrophobicContact CG-CG1 4.44Å; F231-I238 HydrophobicContact CZ-CD1 4.26Å; F231-F252 HydrophobicContact CD1-CE1 4.2Å; F231-F252 HydrophobicContact CE1-CD1 4.25Å; F231-F252 AromaticContact CE1-CE1 3.82Å; F231-F252 HydrophobicContact CE1-CE1 3.82Å; F231-F252 AromaticContact CE1-CZ 3.98Å; F231-F252 HydrophobicContact CE1-CZ 3.98Å
232	S	97.9	Very high	94.4	Very high	3 Å²	3	31 Å²	31	2%	0.021	15%	0.153	C	C	.	.			trans	-68.8	156.1	164.2	58.9	0	0	0	0	111.2	N234 G235 K236 Y237 F275	S232-N234 PolarHBondContact O-N 3.48Å; S232-N234 VanDerWaalsContact O-N 3.1Å; S232-N234 PolarHBondContact OG-OD1 3Å; S232-G235 WeakPolarHBondContact O-CA 3.24Å; S232-G235 PolarHBondContact O-N 3.46Å; S232-K236 PolarHBondContact OG-N 2.8Å; S232-Y237 PolarHBondContact N-O 3.28Å; S232-Y237 PolarHBondContact OG-N 2.57Å; S232-Y237 PolarHBondContact OG-O 2.9Å; S232-F275 VanDerWaalsContact CA-CE2 3.41Å
233	P	95.7	Very high	95.9	Very high	56 Å²	56	27.1 Å²	27.1	36%	0.364	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.6	-177.8	-28.9	36.8	0	0	0	115.1	R174 G235 F275 V277	R174-P233 WeakPolarHBondContact CD-O 3.13Å; P233-G235 VanDerWaalsContact C-N 3.33Å; P233-F275 HydrophobicContact CG-CB 4.21Å; P233-V277 HydrophobicContact CG-CG1 4.18Å
234	N	93.8	Very high	96.6	Very high	30 Å²	30	25 Å²	25	16%	0.16	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.4	174.8	68.4	-4.3	0	0	0	114.3	F6 S232 K236	F6-N234 HydrophobicContact CB-CB 3.84Å; F6-N234 WeakPolarHBondContact CD1-ND2 3.49Å; F6-N234 PolarHBondContact O-ND2 3.04Å; S232-N234 PolarHBondContact O-N 3.48Å; S232-N234 VanDerWaalsContact O-N 3.1Å; S232-N234 PolarHBondContact OG-OD1 3Å; N234-K236 VanDerWaalsContact C-N 3.25Å; N234-K236 PolarHBondContact O-N 2.72Å; N234-K236 PolarHBondContact OD1-N 3.09Å
235	G	94.1	Very high	96.9	Very high	14 Å²	14	22 Å²	22	14%	0.144	12%	0.117	C	C	.	.	S	Bend	trans	72.2	4.9	-178.1	0	0	0	0	0	115.9	S232 P233 F252	S232-G235 WeakPolarHBondContact O-CA 3.24Å; S232-G235 PolarHBondContact O-N 3.46Å; P233-G235 VanDerWaalsContact C-N 3.33Å; G235-F252 VanDerWaalsContact O-CE1 3.28Å; G235-F252 WeakPolarHBondContact O-CE1 3.21Å
236	K	94.6	Very high	97	Very high	100 Å²	100	21.4 Å²	21.4	44%	0.435	11%	0.112	S	C	.	.	S	Bend	trans	-87	-23.3	-176.5	-63.7	-174	-176	173.8	0	114.1	D7 S232 N234 F252	D7-K236 IonicContact OD1-NZ 3.4Å; D7-K236 PolarHBondContact OD1-NZ 3.32Å; S232-K236 PolarHBondContact OG-N 2.8Å; N234-K236 VanDerWaalsContact C-N 3.25Å; N234-K236 PolarHBondContact O-N 2.72Å; N234-K236 PolarHBondContact OD1-N 3.09Å; K236-F252 WeakPolarHBondContact O-CE1 3.4Å
237	Y	96.9	Very high	97	Very high	23 Å²	23	21 Å²	21	9%	0.09	11%	0.11	C	C	.	.			trans	-129.5	160.8	-173.2	-49.4	-69.3	0	0	0	111.5	F6 F8 F231 S232 L249 W250 D251 L258	F6-Y237 AromaticContact CD1-CD2 3.92Å; F6-Y237 HydrophobicContact CD1-CD2 3.92Å; F6-Y237 AromaticContact CD1-CE2 3.93Å; F6-Y237 HydrophobicContact CD1-CE2 3.93Å; F6-Y237 AromaticContact CE1-CD2 3.62Å; F6-Y237 HydrophobicContact CE1-CD2 3.62Å; F6-Y237 AromaticContact CE1-CE2 3.94Å; F6-Y237 HydrophobicContact CE1-CE2 3.94Å; F8-Y237 HydrophobicContact CE2-CE1 4.02Å; F8-Y237 AromaticContact CE2-CE2 3.88Å; F8-Y237 HydrophobicContact CE2-CE2 3.88Å; F8-Y237 AromaticContact CE2-CZ 3.41Å; F8-Y237 VanDerWaalsContact CE2-CZ 3.41Å; F8-Y237 WeakPolarHBondContact CE2-OH 3.19Å; F8-Y237 HydrophobicContact CZ-CE2 4.21Å; F231-Y237 CarbonylContact C-O 3.57Å; F231-Y237 WeakPolarHBondContact CA-O 3.21Å; S232-Y237 PolarHBondContact N-O 3.28Å; S232-Y237 PolarHBondContact OG-N 2.57Å; S232-Y237 PolarHBondContact OG-O 2.9Å; Y237-L249 HydrophobicContact CG-CD1 4.44Å; Y237-W250 CarbonylContact C-O 3.58Å; Y237-W250 WeakPolarHBondContact CA-O 3.36Å; Y237-W250 WeakPolarHBondContact CB-O 3.4Å; Y237-D251 HydrophobicContact CD1-CB 4.4Å; Y237-D251 HydrophobicContact CE1-CB 4.49Å; Y237-L258 HydrophobicContact CD1-CD1 3.87Å; Y237-L258 HydrophobicContact CE1-CD1 3.74Å
238	I	97.3	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.7	170.8	-70.9	177.5	0	0	0	108.9	C180 V188 I190 V229 R230 F231 L249 W250 F252	C180-I238 HydrophobicContact CB-CD1 3.96Å; V188-I238 HydrophobicContact CG1-CD1 4.43Å; V188-I238 HydrophobicContact CG1-CG2 4.46Å; I190-I238 HydrophobicContact CD1-CD1 3.55Å; I190-I238 HydrophobicContact CG1-CD1 3.91Å; V229-I238 HydrophobicContact CG2-CG2 3.25Å; R230-I238 CarbonylContact O-C 3.5Å; R230-I238 WeakPolarHBondContact O-CA 3.49Å; F231-I238 HydrophobicContact CD1-CD1 4.27Å; F231-I238 HydrophobicContact CD1-CG1 3.71Å; F231-I238 HydrophobicContact CE1-CD1 3.82Å; F231-I238 HydrophobicContact CE1-CG1 3.77Å; F231-I238 HydrophobicContact CG-CG1 4.44Å; F231-I238 HydrophobicContact CZ-CD1 4.26Å; I238-L249 CarbonylContact O-C 3.59Å; I238-L249 WeakPolarHBondContact O-CA 3.29Å; I238-W250 HydrophobicContact CB-CB 4.42Å; I238-W250 PolarHBondContact N-O 2.81Å; I238-W250 PolarHBondContact O-N 2.88Å; I238-F252 HydrophobicContact CD1-CB 3.92Å; I238-F252 HydrophobicContact CD1-CD1 4.14Å; I238-F252 HydrophobicContact CD1-CG 4.08Å; I238-F252 HydrophobicContact CG1-CB 4.39Å; I238-F252 HydrophobicContact CG1-CD1 3.98Å; I238-F252 HydrophobicContact CG1-CG 4.4Å
239	L	98.1	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.1	166.3	-164.7	68.7	0	0	0	108.1	V229 R230 I247 K248 L249 Y261 A273 F275 I283	V229-L239 CarbonylContact C-O 3.59Å; V229-L239 VanDerWaalsContact CA-O 3.29Å; V229-L239 WeakPolarHBondContact CA-O 3.41Å; R230-L239 HydrophobicContact CG-CB 4.2Å; R230-L239 PolarHBondContact N-O 2.75Å; R230-L239 PolarHBondContact O-N 3.32Å; L239-I247 HydrophobicContact CD1-CG2 3.43Å; L239-I247 VanDerWaalsContact CD1-CG2 3.43Å; L239-I247 HydrophobicContact CD2-CG2 4.24Å; L239-I247 HydrophobicContact CG-CG2 3.69Å; L239-K248 WeakPolarHBondContact CA-O 3.27Å; L239-L249 HydrophobicContact CD1-CD1 4.31Å; L239-Y261 HydrophobicContact CD1-CE2 4.29Å; L239-A273 HydrophobicContact CD2-CB 3.63Å; L239-A273 HydrophobicContact CG-CB 4.43Å; L239-F275 HydrophobicContact CB-CE2 3.67Å; L239-F275 HydrophobicContact CB-CZ 3.65Å; L239-F275 HydrophobicContact CD1-CZ 4.32Å; L239-F275 HydrophobicContact CD2-CE2 4.22Å; L239-F275 HydrophobicContact CD2-CZ 4.36Å; L239-F275 HydrophobicContact CG-CE2 4.5Å; L239-F275 HydrophobicContact CG-CZ 4.35Å; L239-I283 HydrophobicContact CD1-CD1 3.94Å; L239-I283 HydrophobicContact CD1-CG1 4.5Å; L239-I283 HydrophobicContact CD1-CG2 4.41Å; L239-I283 HydrophobicContact CD2-CD1 4.19Å; L239-I283 HydrophobicContact CD2-CG2 4.12Å
240	A	97.9	Very high	96.7	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.025	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.9	178.3	0	0	0	0	0	110.2	V188 V226 F228 V229 I247 K248	V188-A240 HydrophobicContact CG2-CB 4.09Å; V226-A240 HydrophobicContact CG1-CB 4.21Å; F228-A240 CarbonylContact O-C 3.54Å; F228-A240 VanDerWaalsContact O-CA 3.3Å; F228-A240 WeakPolarHBondContact O-CA 3.49Å; V229-A240 HydrophobicContact CG2-CB 4.38Å; A240-I247 CarbonylContact O-C 3.59Å; A240-I247 WeakPolarHBondContact O-CA 3.45Å; A240-K248 PolarHBondContact N-O 2.99Å; A240-K248 PolarHBondContact O-N 2.79Å
241	A	98	Very high	96.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.2	177.6	0	0	0	0	0	110.5	V226 S227 F228 I247	V226-A241 CarbonylContact C-O 3.57Å; S227-A241 PolarHBondContact N-O 3.23Å; S227-A241 PolarHBondContact OG-O 3.05Å; F228-A241 HydrophobicContact CB-CB 4.14Å; F228-A241 PolarHBondContact N-O 2.78Å; F228-A241 PolarHBondContact O-N 3.25Å; A241-I247 HydrophobicContact CB-CG1 3.92Å
242	T	97.1	Very high	96.3	Very high	12 Å²	12	20.8 Å²	20.8	7%	0.074	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	154.5	-178.4	44.1	0	0	0	0	111.9	P225 V226 D244 S245 V246	P225-T242 WeakPolarHBondContact O-CA 3.25Å; V226-T242 HydrophobicContact CB-CG2 4.44Å; V226-T242 HydrophobicContact CG2-CG2 3.9Å; T242-D244 WeakPolarHBondContact CB-OD1 3.3Å; T242-D244 PolarHBondContact O-N 2.79Å; T242-D244 PolarHBondContact OG1-OD1 2.88Å; T242-S245 PolarHBondContact O-N 2.92Å; T242-V246 PolarHBondContact N-O 2.8Å; T242-V246 PolarHBondContact OG1-O 3.5Å
243	L	96.3	Very high	96	Very high	22 Å²	22	24.2 Å²	24.2	12%	0.115	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	19.6	-177.8	-64.1	-171.4	0	0	0	114.5	F184 P225 S227 N266 K267	F184-L243 HydrophobicContact CD1-CD1 4.41Å; F184-L243 HydrophobicContact CE1-CD1 3.85Å; P225-L243 HydrophobicContact CB-CB 4.41Å; P225-L243 HydrophobicContact CB-CD1 3.81Å; P225-L243 HydrophobicContact CB-CG 4.05Å; P225-L243 HydrophobicContact CG-CD1 4.2Å; P225-L243 PolarHBondContact O-N 2.87Å; S227-L243 VanDerWaalsContact CB-CD2 3.46Å; L243-N266 CarbonylContact C-O 3.56Å; L243-N266 VanDerWaalsContact C-O 3.28Å; L243-N266 WeakPolarHBondContact CD2-OD1 3.46Å; L243-K267 WeakPolarHBondContact O-CA 3.23Å
244	D	95.3	Very high	95.8	Very high	61 Å²	61	28.4 Å²	28.4	33%	0.326	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	15.4	168.8	62.7	-11.7	0	0	0	111.9	Q224 T242 V246	Q224-D244 HydrophobicContact CB-CB 4.46Å; Q224-D244 HydrophobicContact CG-CB 3.93Å; T242-D244 WeakPolarHBondContact CB-OD1 3.3Å; T242-D244 PolarHBondContact O-N 2.79Å; T242-D244 PolarHBondContact OG1-OD1 2.88Å; D244-V246 WeakPolarHBondContact OD1-CB 3.46Å; D244-V246 PolarHBondContact OD1-N 3.1Å
245	S	97.3	Very high	95.5	Very high	15 Å²	15	27.4 Å²	27.4	11%	0.105	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	35.4	-178.4	-50.6	0	0	0	0	114	T242 H264 N266	T242-S245 PolarHBondContact O-N 2.92Å; S245-H264 VanDerWaalsContact C-CE1 3.4Å; S245-H264 WeakPolarHBondContact CB-O 3.32Å; S245-H264 PolarHBondContact O-CE1 2.62Å; S245-N266 WeakPolarHBondContact CA-O 3.17Å; S245-N266 PolarHBondContact N-O 3Å; S245-N266 PolarHBondContact OG-N 2.88Å; S245-N266 PolarHBondContact OG-O 3.07Å
246	V	97.1	Very high	95.3	Very high	18 Å²	18	33.2 Å²	33.2	11%	0.109	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.1	176.8	-171.8	0	0	0	0	110.6	T242 D244 K248 E260 T262	T242-V246 PolarHBondContact N-O 2.8Å; T242-V246 PolarHBondContact OG1-O 3.5Å; D244-V246 WeakPolarHBondContact OD1-CB 3.46Å; D244-V246 PolarHBondContact OD1-N 3.1Å; V246-K248 HydrophobicContact CG1-CD 4.46Å; V246-K248 HydrophobicContact CG1-CG 3.79Å; V246-E260 HydrophobicContact CG1-CB 4.08Å; V246-E260 HydrophobicContact CG1-CG 4.46Å; V246-T262 HydrophobicContact CG1-CG2 4.24Å; V246-T262 HydrophobicContact CG2-CG2 4.15Å
247	I	98	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.5	166.3	-61.2	164.3	0	0	0	107.8	L239 A240 A241 E260 Y261 A273 I283 W295	L239-I247 HydrophobicContact CD1-CG2 3.43Å; L239-I247 VanDerWaalsContact CD1-CG2 3.43Å; L239-I247 HydrophobicContact CD2-CG2 4.24Å; L239-I247 HydrophobicContact CG-CG2 3.69Å; A240-I247 CarbonylContact O-C 3.59Å; A240-I247 WeakPolarHBondContact O-CA 3.45Å; A241-I247 HydrophobicContact CB-CG1 3.92Å; I247-E260 CarbonylContact O-C 3.49Å; I247-E260 WeakPolarHBondContact O-CA 3.4Å; I247-Y261 HydrophobicContact CB-CD2 4.3Å; I247-Y261 HydrophobicContact CG2-CD2 4.11Å; I247-Y261 PolarHBondContact N-O 3.48Å; I247-Y261 WeakPolarHBondContact O-CD2 3.08Å; I247-Y261 PolarHBondContact O-N 2.96Å; I247-A273 HydrophobicContact CD1-CB 4.2Å; I247-I283 HydrophobicContact CG2-CG2 4.44Å; I247-W295 HydrophobicContact CD1-CH2 4.06Å; I247-W295 HydrophobicContact CD1-CZ3 4.13Å
248	K	96.7	Very high	95.1	Very high	24 Å²	24	33.1 Å²	33.1	10%	0.104	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135	-176.1	-60.6	-174.1	178.9	176.9	0	111	L239 A240 V246 W250 K259 E260	L239-K248 WeakPolarHBondContact CA-O 3.27Å; A240-K248 PolarHBondContact N-O 2.99Å; A240-K248 PolarHBondContact O-N 2.79Å; V246-K248 HydrophobicContact CG1-CD 4.46Å; V246-K248 HydrophobicContact CG1-CG 3.79Å; K248-W250 VanDerWaalsContact CB-NE1 3.28Å; K248-W250 HydrophobicContact CD-CZ2 4.1Å; K248-K259 CarbonylContact C-O 3.57Å; K248-K259 WeakPolarHBondContact CA-O 3.4Å; K248-E260 VanDerWaalsContact CE-OE1 3.24Å; K248-E260 WeakPolarHBondContact CE-OE1 3.32Å; K248-E260 HydrophobicContact CG-CG 4.19Å; K248-E260 IonicContact NZ-OE1 2.82Å
249	L	97.2	Very high	95	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.9	169.5	-175.3	71.7	0	0	0	109.4	F8 Y237 I238 L239 L258 K259 Y261 F275	F8-L249 HydrophobicContact CZ-CD2 4.45Å; Y237-L249 HydrophobicContact CG-CD1 4.44Å; I238-L249 CarbonylContact O-C 3.59Å; I238-L249 WeakPolarHBondContact O-CA 3.29Å; L239-L249 HydrophobicContact CD1-CD1 4.31Å; L249-L258 WeakPolarHBondContact O-CB 3.43Å; L249-L258 PolarHBondContact O-N 3.48Å; L249-K259 HydrophobicContact CB-CB 4.15Å; L249-K259 HydrophobicContact CD2-CD 4.18Å; L249-K259 PolarHBondContact N-O 3.1Å; L249-K259 PolarHBondContact O-N 2.82Å; L249-Y261 HydrophobicContact CB-CE2 4.1Å; L249-F275 HydrophobicContact CD1-CE1 3.74Å; L249-F275 HydrophobicContact CD1-CZ 3.66Å
250	W	95.7	Very high	95	Very high	15 Å²	15	38.4 Å²	38.4	6%	0.057	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.3	-176.2	-67.6	82.4	0	0	0	112	L202 Y237 I238 K248 F252 K256 C257	L202-W250 HydrophobicContact CD1-CB 4.18Å; L202-W250 HydrophobicContact CD1-CD2 4.26Å; L202-W250 HydrophobicContact CD1-CE3 4.29Å; L202-W250 HydrophobicContact CD1-CG 4.22Å; Y237-W250 CarbonylContact C-O 3.58Å; Y237-W250 WeakPolarHBondContact CA-O 3.36Å; Y237-W250 WeakPolarHBondContact CB-O 3.4Å; I238-W250 HydrophobicContact CB-CB 4.42Å; I238-W250 PolarHBondContact N-O 2.81Å; I238-W250 PolarHBondContact O-N 2.88Å; K248-W250 VanDerWaalsContact CB-NE1 3.28Å; K248-W250 HydrophobicContact CD-CZ2 4.1Å; W250-F252 PolarHBondContact O-N 3.41Å; W250-K256 WeakPolarHBondContact CA-O 3.41Å; W250-C257 HydrophobicContact CD2-CB 4.07Å; W250-C257 HydrophobicContact CE3-CB 4.04Å; W250-C257 HydrophobicContact CH2-CB 3.89Å; W250-C257 HydrophobicContact CZ2-CB 3.91Å; W250-C257 HydrophobicContact CZ3-CB 3.95Å
251	D	94.8	Very high	95	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.064	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	96.2	153.6	-175.7	-27	0	0	0	106.9	Y237 S253 K254 G255 K256 L258	Y237-D251 HydrophobicContact CD1-CB 4.4Å; Y237-D251 HydrophobicContact CE1-CB 4.49Å; D251-S253 VanDerWaalsContact C-N 3.26Å; D251-S253 PolarHBondContact O-N 2.72Å; D251-S253 WeakPolarHBondContact OD1-CB 3.22Å; D251-S253 PolarHBondContact OD1-N 3.32Å; D251-S253 VanDerWaalsContact OD1-N 3.12Å; D251-S253 PolarHBondContact OD1-OG 3.48Å; D251-K254 HydrophobicContact CB-CB 4.31Å; D251-K254 PolarHBondContact O-N 2.78Å; D251-K254 PolarHBondContact OD1-N 2.91Å; D251-K254 WeakPolarHBondContact OD2-CD 3.31Å; D251-K254 VanDerWaalsContact OD2-CE 3.27Å; D251-K254 WeakPolarHBondContact OD2-CE 3.32Å; D251-K254 WeakPolarHBondContact OD2-CG 3.43Å; D251-K254 IonicContact OD2-NZ 3.43Å; D251-K254 PolarHBondContact OD2-NZ 2.83Å; D251-G255 WeakPolarHBondContact O-CA 3.18Å; D251-G255 PolarHBondContact O-N 2.99Å; D251-K256 PolarHBondContact N-O 3.23Å; D251-K256 PolarHBondContact O-N 3.09Å; D251-K256 VanDerWaalsContact O-N 3.09Å; D251-L258 HydrophobicContact CB-CD1 3.95Å; D251-L258 HydrophobicContact CB-CD2 4.05Å; D251-L258 HydrophobicContact CB-CG 3.99Å
252	F	92.3	Very high	95	Very high	28 Å²	28	41.9 Å²	41.9	12%	0.123	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.2	-176.2	71.8	-89.1	0	0	0	112.7	L178 I190 K200 L202 F231 G235 K236 I238 W250 K254 G255	L178-F252 HydrophobicContact CD1-CE2 4.03Å; L178-F252 HydrophobicContact CD1-CZ 4.26Å; I190-F252 HydrophobicContact CD1-CB 3.43Å; I190-F252 VanDerWaalsContact CD1-CB 3.43Å; I190-F252 HydrophobicContact CD1-CD2 3.34Å; I190-F252 HydrophobicContact CD1-CE2 4.26Å; I190-F252 HydrophobicContact CD1-CG 3.57Å; K200-F252 WeakPolarHBondContact CD-O 3.31Å; K200-F252 PolarHBondContact NZ-O 2.85Å; L202-F252 HydrophobicContact CD1-CB 4.03Å; F231-F252 HydrophobicContact CD1-CE1 4.2Å; F231-F252 HydrophobicContact CE1-CD1 4.25Å; F231-F252 AromaticContact CE1-CE1 3.82Å; F231-F252 HydrophobicContact CE1-CE1 3.82Å; F231-F252 AromaticContact CE1-CZ 3.98Å; F231-F252 HydrophobicContact CE1-CZ 3.98Å; G235-F252 VanDerWaalsContact O-CE1 3.28Å; G235-F252 WeakPolarHBondContact O-CE1 3.21Å; K236-F252 WeakPolarHBondContact O-CE1 3.4Å; I238-F252 HydrophobicContact CD1-CB 3.92Å; I238-F252 HydrophobicContact CD1-CD1 4.14Å; I238-F252 HydrophobicContact CD1-CG 4.08Å; I238-F252 HydrophobicContact CG1-CB 4.39Å; I238-F252 HydrophobicContact CG1-CD1 3.98Å; I238-F252 HydrophobicContact CG1-CG 4.4Å; W250-F252 PolarHBondContact O-N 3.41Å; F252-K254 VanDerWaalsContact C-N 3.33Å; F252-G255 PolarHBondContact O-N 2.8Å
253	S	92.2	Very high	95.1	Very high	75 Å²	75	43.5 Å²	43.5	52%	0.524	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-45.6	175.4	76	0	0	0	0	110	K200 D251	K200-S253 PolarHBondContact NZ-O 2.88Å; D251-S253 VanDerWaalsContact C-N 3.26Å; D251-S253 PolarHBondContact O-N 2.72Å; D251-S253 WeakPolarHBondContact OD1-CB 3.22Å; D251-S253 PolarHBondContact OD1-N 3.32Å; D251-S253 VanDerWaalsContact OD1-N 3.12Å; D251-S253 PolarHBondContact OD1-OG 3.48Å
254	K	90.8	Very high	95.2	Very high	145 Å²	145	43 Å²	43	63%	0.63	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-12.1	177.2	-61.6	-179.3	-167.4	159.8	0	114	D251 F252 K256	D251-K254 HydrophobicContact CB-CB 4.31Å; D251-K254 PolarHBondContact O-N 2.78Å; D251-K254 PolarHBondContact OD1-N 2.91Å; D251-K254 WeakPolarHBondContact OD2-CD 3.31Å; D251-K254 VanDerWaalsContact OD2-CE 3.27Å; D251-K254 WeakPolarHBondContact OD2-CE 3.32Å; D251-K254 WeakPolarHBondContact OD2-CG 3.43Å; D251-K254 IonicContact OD2-NZ 3.43Å; D251-K254 PolarHBondContact OD2-NZ 2.83Å; F252-K254 VanDerWaalsContact C-N 3.33Å; K254-K256 VanDerWaalsContact C-N 3.29Å; K254-K256 HydrophobicContact CB-CG 4.35Å; K254-K256 PolarHBondContact O-N 3.17Å
255	G	87.6	Confident	95.3	Very high	9 Å²	9	44.8 Å²	44.8	9%	0.093	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	28.7	-176.8	0	0	0	0	0	113.7	C207 D251 F252	C207-G255 VanDerWaalsContact CB-CA 3.42Å; C207-G255 WeakPolarHBondContact CB-O 3.28Å; D251-G255 WeakPolarHBondContact O-CA 3.18Å; D251-G255 PolarHBondContact O-N 2.99Å; F252-G255 PolarHBondContact O-N 2.8Å
256	K	89.9	Confident	95.4	Very high	135 Å²	135	44.1 Å²	44.1	59%	0.587	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.8	-174.4	-69.4	-173.9	177.6	-173.7	0	111.6	W250 D251 K254 L258	W250-K256 WeakPolarHBondContact CA-O 3.41Å; D251-K256 PolarHBondContact N-O 3.23Å; D251-K256 PolarHBondContact O-N 3.09Å; D251-K256 VanDerWaalsContact O-N 3.09Å; K254-K256 VanDerWaalsContact C-N 3.29Å; K254-K256 HydrophobicContact CB-CG 4.35Å; K254-K256 PolarHBondContact O-N 3.17Å; K256-L258 PolarHBondContact O-N 2.88Å
257	C	92.7	Very high	95.4	Very high	45 Å²	45	50 Å²	50	30%	0.304	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.3	164.1	-173.2	0	0	0	0	108.1	W250	W250-C257 HydrophobicContact CD2-CB 4.07Å; W250-C257 HydrophobicContact CE3-CB 4.04Å; W250-C257 HydrophobicContact CH2-CB 3.89Å; W250-C257 HydrophobicContact CZ2-CB 3.91Å; W250-C257 HydrophobicContact CZ3-CB 3.95Å
258	L	94.7	Very high	95.4	Very high	76 Å²	76	56.5 Å²	56.5	40%	0.398	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-39.3	-179.9	-61.5	-176.1	0	0	0	112	Y237 L249 D251 K256	Y237-L258 HydrophobicContact CD1-CD1 3.87Å; Y237-L258 HydrophobicContact CE1-CD1 3.74Å; L249-L258 WeakPolarHBondContact O-CB 3.43Å; L249-L258 PolarHBondContact O-N 3.48Å; D251-L258 HydrophobicContact CB-CD1 3.95Å; D251-L258 HydrophobicContact CB-CD2 4.05Å; D251-L258 HydrophobicContact CB-CG 3.99Å; K256-L258 PolarHBondContact O-N 2.88Å
259	K	95.9	Very high	95.4	Very high	21 Å²	21	58.7 Å²	58.7	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	150.8	-172.1	-60.6	-179.8	-178.9	155.2	0	111.2	K248 L249 Y261 L297 K300	K248-K259 CarbonylContact C-O 3.57Å; K248-K259 WeakPolarHBondContact CA-O 3.4Å; L249-K259 HydrophobicContact CB-CB 4.15Å; L249-K259 HydrophobicContact CD2-CD 4.18Å; L249-K259 PolarHBondContact N-O 3.1Å; L249-K259 PolarHBondContact O-N 2.82Å; K259-Y261 HydrophobicContact CB-CE2 4.25Å; K259-Y261 WeakPolarHBondContact CD-OH 3.44Å; K259-L297 WeakPolarHBondContact CD-O 3.33Å; K259-L297 WeakPolarHBondContact CE-O 3.36Å; K259-L297 PolarHBondContact NZ-O 3.13Å; K259-K300 HydrophobicContact CB-CD 4.11Å; K259-K300 HydrophobicContact CB-CG 4.19Å; K259-K300 HydrophobicContact CD-CG 4.32Å; K259-K300 HydrophobicContact CG-CD 4.36Å; K259-K300 HydrophobicContact CG-CG 4.4Å
260	E	97.2	Very high	95.5	Very high	90 Å²	90	59.6 Å²	59.6	42%	0.421	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133	176.2	-55	-166.9	152.1	0	0	109.2	V246 I247 K248 K300	V246-E260 HydrophobicContact CG1-CB 4.08Å; V246-E260 HydrophobicContact CG1-CG 4.46Å; I247-E260 CarbonylContact O-C 3.49Å; I247-E260 WeakPolarHBondContact O-CA 3.4Å; K248-E260 VanDerWaalsContact CE-OE1 3.24Å; K248-E260 WeakPolarHBondContact CE-OE1 3.32Å; K248-E260 HydrophobicContact CG-CG 4.19Å; K248-E260 IonicContact NZ-OE1 2.82Å; E260-K300 WeakPolarHBondContact O-CD 3.33Å
261	Y	98.3	Very high	95.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.6	178.8	-48.3	-85.2	0	0	0	108.4	L239 I247 L249 K259 I283 W295 L297 K300	L239-Y261 HydrophobicContact CD1-CE2 4.29Å; I247-Y261 HydrophobicContact CB-CD2 4.3Å; I247-Y261 HydrophobicContact CG2-CD2 4.11Å; I247-Y261 PolarHBondContact N-O 3.48Å; I247-Y261 WeakPolarHBondContact O-CD2 3.08Å; I247-Y261 PolarHBondContact O-N 2.96Å; L249-Y261 HydrophobicContact CB-CE2 4.1Å; K259-Y261 HydrophobicContact CB-CE2 4.25Å; K259-Y261 WeakPolarHBondContact CD-OH 3.44Å; Y261-I283 HydrophobicContact CD1-CG1 4.4Å; Y261-I283 HydrophobicContact CD2-CG1 4.17Å; Y261-I283 HydrophobicContact CE1-CG1 3.94Å; Y261-I283 HydrophobicContact CE2-CD1 4.43Å; Y261-I283 HydrophobicContact CE2-CG1 3.7Å; Y261-W295 HydrophobicContact CD1-CB 3.7Å; Y261-W295 AromaticContact CD1-CG 3.97Å; Y261-W295 HydrophobicContact CD1-CG 3.97Å; Y261-W295 HydrophobicContact CE1-CB 4.32Å; Y261-W295 HydrophobicContact CG-CB 4.46Å; Y261-W295 HydrophobicContact CG-CG 4.37Å; Y261-L297 PolarHBondContact OH-O 2.63Å; Y261-K300 HydrophobicContact CD1-CB 3.94Å; Y261-K300 HydrophobicContact CD1-CG 4.29Å; Y261-K300 HydrophobicContact CE1-CB 4.08Å; Y261-K300 HydrophobicContact CE1-CG 4.01Å
262	T	98.3	Very high	95.8	Very high	77 Å²	77	58.9 Å²	58.9	47%	0.472	30%	0.299	S	S	.	.			trans	-130.2	177.5	-173	61	0	0	0	0	111	V246 W295	V246-T262 HydrophobicContact CG1-CG2 4.24Å; V246-T262 HydrophobicContact CG2-CG2 4.15Å; T262-W295 PolarHBondContact O-NE1 2.81Å
263	G	97.9	Very high	96.1	Very high	45 Å²	45	57.6 Å²	57.6	46%	0.464	29%	0.293	S	S	.	.	S	Bend	trans	96.6	-5.4	176.6	0	0	0	0	0	115.2	Y293	G263-Y293 WeakPolarHBondContact O-CE1 3.29Å; G263-Y293 PolarHBondContact O-OH 2.84Å
264	H	98.5	Very high	96.4	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.051	27%	0.27	C	S	.	.	S	Bend	trans	-86.7	174.7	163.4	69.4	-72.6	0	0	0	110.2	S245 Y293 W295	S245-H264 VanDerWaalsContact C-CE1 3.4Å; S245-H264 WeakPolarHBondContact CB-O 3.32Å; S245-H264 PolarHBondContact O-CE1 2.62Å; H264-Y293 HydrophobicContact CB-CD1 4.12Å; H264-Y293 HydrophobicContact CB-CD2 3.7Å; H264-Y293 HydrophobicContact CB-CE1 4.25Å; H264-Y293 HydrophobicContact CB-CE2 3.84Å; H264-Y293 HydrophobicContact CB-CG 3.87Å; H264-W295 HydrophobicContact CB-CH2 3.85Å; H264-W295 HydrophobicContact CB-CZ2 3.88Å; H264-W295 AromaticContact CG-CH2 3.84Å; H264-W295 AromaticContact CG-CZ2 3.95Å; H264-W295 AromaticContact ND1-CH2 3.69Å; H264-W295 AromaticContact ND1-CZ2 3.53Å
265	K	98.6	Very high	96.7	Very high	100 Å²	100	48 Å²	48	44%	0.435	24%	0.243	S	C	.	.			trans	-114.6	118.3	173.1	-173.5	-175.3	171.3	-173.7	0	109.4	S287 E288	K265-S287 PolarHBondContact N-OG 3.18Å; K265-S287 PolarHBondContact O-OG 2.88Å; K265-E288 HydrophobicContact CB-CB 4.19Å; K265-E288 HydrophobicContact CD-CB 3.94Å; K265-E288 HydrophobicContact CG-CB 3.93Å; K265-E288 WeakPolarHBondContact O-CB 3.43Å; K265-E288 WeakPolarHBondContact O-CG 3.36Å; K265-E288 PolarHBondContact O-N 2.76Å
266	N	98.1	Very high	97.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.			trans	-147.1	108.8	172.1	-177.5	12.2	0	0	0	108.9	S227 L243 S245 Y269 I271	S227-N266 PolarHBondContact OG-ND2 2.9Å; L243-N266 CarbonylContact C-O 3.56Å; L243-N266 VanDerWaalsContact C-O 3.28Å; L243-N266 WeakPolarHBondContact CD2-OD1 3.46Å; S245-N266 WeakPolarHBondContact CA-O 3.17Å; S245-N266 PolarHBondContact N-O 3Å; S245-N266 PolarHBondContact OG-N 2.88Å; S245-N266 PolarHBondContact OG-O 3.07Å; N266-Y269 PolarHBondContact OD1-O 3.05Å; N266-I271 HydrophobicContact CB-CD1 4.26Å
267	K	97.2	Very high	97.3	Very high	141 Å²	141	43.5 Å²	43.5	61%	0.613	22%	0.224	S	C	*	.	S	Bend	trans	-136.7	-14.7	-175.1	-64.5	-166.6	176.2	-169.2	0	114.1	L243 E288	L243-K267 WeakPolarHBondContact O-CA 3.23Å; K267-E288 VanDerWaalsContact N-CD 3.33Å; K267-E288 PolarHBondContact N-OE1 3.36Å; K267-E288 PolarHBondContact N-OE2 3.17Å
268	K	97.8	Very high	97.1	Very high	137 Å²	137	43.6 Å²	43.6	60%	0.596	22%	0.224	S	C	*	.	S	Bend	trans	-133.1	-37.5	-171.3	-176.9	-179	175.8	-165.6	0	113	E288	K268-E288 WeakPolarHBondContact CA-OE1 3.37Å; K268-E288 WeakPolarHBondContact CB-OE1 3.49Å; K268-E288 PolarHBondContact N-OE1 3.38Å
269	Y	98.3	Very high	96.3	Very high	71 Å²	71	41.7 Å²	41.7	28%	0.278	22%	0.219	S	C	.	.	S	Bend	trans	-106.5	150	-169	-61	-77.4	0	0	0	113.3	N266 I271 E288 V312 L330	N266-Y269 PolarHBondContact OD1-O 3.05Å; Y269-I271 VanDerWaalsContact C-N 3.34Å; Y269-I271 PolarHBondContact O-N 2.74Å; Y269-E288 HydrophobicContact CD2-CG 3.98Å; Y269-E288 PolarHBondContact N-OE1 3.23Å; Y269-V312 HydrophobicContact CD2-CG1 3.94Å; Y269-V312 HydrophobicContact CD2-CG2 4.18Å; Y269-V312 HydrophobicContact CE2-CG1 4.38Å; Y269-V312 HydrophobicContact CE2-CG2 3.81Å; Y269-V312 HydrophobicContact CG-CG1 4.45Å; Y269-L330 HydrophobicContact CD1-CD1 3.97Å; Y269-L330 HydrophobicContact CD2-CD1 4.36Å; Y269-L330 HydrophobicContact CE1-CD1 3.65Å; Y269-L330 HydrophobicContact CE2-CD1 4.04Å; Y269-L330 HydrophobicContact CG-CD1 4.32Å
270	C	98.4	Very high	95.8	Very high	18 Å²	18	41.2 Å²	41.2	12%	0.122	22%	0.22	C	C	.	.			trans	-76.1	83.1	170.4	-64.6	0	0	0	0	110.8	F126 F184 S227 L314	F126-C270 HydrophobicContact CE1-CB 3.75Å; F126-C270 HydrophobicContact CZ-CB 3.69Å; F184-C270 VanDerWaalsContact CZ-SG 3.6Å; S227-C270 WeakPolarHBondContact O-CB 3.4Å; S227-C270 PolarHBondContact O-SG 3.42Å; S227-C270 VanDerWaalsContact O-SG 3.39Å; C270-L314 WeakPolarHBondContact O-CD1 3.39Å
271	I	98.6	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.			trans	-84.1	131	-177.2	-60.8	-178	0	0	0	111.3	F228 N266 Y269 G286 E288 V312 L314	F228-I271 WeakPolarHBondContact CB-O 3.19Å; N266-I271 HydrophobicContact CB-CD1 4.26Å; Y269-I271 VanDerWaalsContact C-N 3.34Å; Y269-I271 PolarHBondContact O-N 2.74Å; I271-G286 WeakPolarHBondContact CG2-O 3.42Å; I271-E288 HydrophobicContact CD1-CG 3.94Å; I271-V312 HydrophobicContact CD1-CG1 4.3Å; I271-L314 WeakPolarHBondContact CA-O 3.5Å; I271-L314 HydrophobicContact CG1-CD1 4.45Å
272	V	98.5	Very high	95.5	Very high	13 Å²	13	40.6 Å²	40.6	8%	0.079	22%	0.216	C	C	.	.			trans	-74.7	129	179.7	-179.5	0	0	0	0	111.4	F228 L314 C315 T316	F228-V272 HydrophobicContact CD2-CG2 4.31Å; F228-V272 HydrophobicContact CE1-CG1 4.41Å; F228-V272 HydrophobicContact CE2-CB 4.24Å; F228-V272 HydrophobicContact CE2-CG1 3.89Å; F228-V272 HydrophobicContact CE2-CG2 4.07Å; F228-V272 HydrophobicContact CZ-CG1 3.78Å; V272-L314 PolarHBondContact N-O 3.46Å; V272-L314 VanDerWaalsContact N-O 3.08Å; V272-C315 HydrophobicContact CB-CB 4.49Å; V272-C315 HydrophobicContact CG2-CB 4.09Å; V272-T316 PolarHBondContact O-OG1 3.38Å
273	A	98.4	Very high	95.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.6	171.1	0	0	0	0	0	112.1	F228 R230 L239 I247 V284	F228-A273 HydrophobicContact CD1-CB 4.18Å; F228-A273 HydrophobicContact CE1-CB 4.37Å; F228-A273 WeakPolarHBondContact CE1-O 3.09Å; R230-A273 WeakPolarHBondContact CD-O 3.33Å; L239-A273 HydrophobicContact CD2-CB 3.63Å; L239-A273 HydrophobicContact CG-CB 4.43Å; I247-A273 HydrophobicContact CD1-CB 4.2Å; A273-V284 CarbonylContact C-O 3.55Å; A273-V284 WeakPolarHBondContact CA-O 3.38Å
274	N	98.6	Very high	95.5	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.5	-172.7	-65.6	-83.9	0	0	0	112.5	R230 I283 V284 T316	R230-N274 PolarHBondContact NH1-OD1 3.31Å; N274-I283 WeakPolarHBondContact O-CA 3.35Å; N274-V284 HydrophobicContact CB-CB 4.41Å; N274-V284 PolarHBondContact N-O 2.98Å; N274-V284 PolarHBondContact O-N 3.25Å; N274-T316 PolarHBondContact ND2-O 2.85Å; N274-T316 PolarHBondContact ND2-OG1 3.06Å
275	F	98	Very high	95.5	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.057	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.9	161.6	-64	-85.3	0	0	0	108.6	F6 R230 S232 P233 L239 L249 V277 I283 L297	F6-F275 HydrophobicContact CE1-CE1 4.45Å; F6-F275 AromaticContact CE2-CD1 3.84Å; F6-F275 HydrophobicContact CE2-CD1 3.84Å; F6-F275 HydrophobicContact CE2-CE1 4.4Å; F6-F275 AromaticContact CZ-CD1 3.55Å; F6-F275 HydrophobicContact CZ-CD1 3.55Å; F6-F275 AromaticContact CZ-CE1 3.66Å; F6-F275 HydrophobicContact CZ-CE1 3.66Å; R230-F275 HydrophobicContact CG-CE2 4.23Å; S232-F275 VanDerWaalsContact CA-CE2 3.41Å; P233-F275 HydrophobicContact CG-CB 4.21Å; L239-F275 HydrophobicContact CB-CE2 3.67Å; L239-F275 HydrophobicContact CB-CZ 3.65Å; L239-F275 HydrophobicContact CD1-CZ 4.32Å; L239-F275 HydrophobicContact CD2-CE2 4.22Å; L239-F275 HydrophobicContact CD2-CZ 4.36Å; L239-F275 HydrophobicContact CG-CE2 4.5Å; L239-F275 HydrophobicContact CG-CZ 4.35Å; L249-F275 HydrophobicContact CD1-CE1 3.74Å; L249-F275 HydrophobicContact CD1-CZ 3.66Å; F275-V277 HydrophobicContact CB-CG1 4.29Å; F275-I283 HydrophobicContact CD1-CD1 3.52Å; F275-I283 HydrophobicContact CE1-CD1 3.6Å; F275-I283 HydrophobicContact CG-CD1 4.37Å; F275-L297 HydrophobicContact CD1-CD1 3.81Å; F275-L297 HydrophobicContact CE1-CD1 4.02Å
276	S	96.2	Very high	95.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.4	165.9	-174.4	0	0	0	0	108.3	G280 W282	S276-G280 CarbonylContact C-O 3.56Å; S276-W282 PolarHBondContact N-O 3.43Å; S276-W282 PolarHBondContact O-N 3.04Å
277	V	92.3	Very high	95.6	Very high	46 Å²	46	29.5 Å²	29.5	28%	0.279	15%	0.148	S	C	.	.			trans	-132.9	2	-171.8	-63.5	0	0	0	0	115.3	F6 P233 F275	F6-V277 HydrophobicContact CD2-CG1 3.92Å; F6-V277 HydrophobicContact CE2-CG1 4.03Å; P233-V277 HydrophobicContact CG-CG1 4.18Å; F275-V277 HydrophobicContact CB-CG1 4.29Å
278	T	89.9	Confident	95.7	Very high	48 Å²	48	24.1 Å²	24.1	29%	0.294	13%	0.125	S	C	.	.	S	Bend	trans	-75.8	-45.8	-174.9	49.8	0	0	0	0	113.5	E322 N323	T278-E322 PolarHBondContact OG1-O 2.74Å; T278-N323 VanDerWaalsContact CB-OD1 3.3Å; T278-N323 WeakPolarHBondContact CB-OD1 3.44Å; T278-N323 PolarHBondContact OG1-OD1 2.86Å
279	A	78.1	Confident	95.7	Very high	36 Å²	36	20.8 Å²	20.8	30%	0.298	11%	0.114	S	C	.	.	S	Bend	trans	-108.8	-64	-179.5	0	0	0	0	0	112.2	N323 Y343	A279-N323 WeakPolarHBondContact CB-ND2 3.3Å; A279-N323 WeakPolarHBondContact CB-OD1 3.24Å; A279-N323 PolarHBondContact N-OD1 3.47Å; A279-Y343 HydrophobicContact CB-CD1 3.38Å; A279-Y343 HydrophobicContact CB-CE1 4.11Å; A279-Y343 HydrophobicContact CB-CG 4.03Å
280	G	83.7	Confident	95.7	Very high	11 Å²	11	17.7 Å²	17.7	11%	0.113	10%	0.104	C	C	.	.	S	Bend	trans	-116.2	177.1	173.1	0	0	0	0	0	110.7	S276	S276-G280 CarbonylContact C-O 3.56Å
281	K	93.1	Very high	95.7	Very high	71 Å²	71	19 Å²	19	31%	0.309	11%	0.109	S	C	.	.			trans	-98.7	99.4	175.4	-65.2	179.9	177.8	177	0	108	S5 D7 L297	S5-K281 PolarHBondContact O-NZ 3.26Å; D7-K281 PolarHBondContact O-NZ 3.2Å; K281-L297 HydrophobicContact CB-CB 4.03Å; K281-L297 HydrophobicContact CB-CD1 4.49Å; K281-L297 WeakPolarHBondContact O-CB 3.4Å; K281-L297 PolarHBondContact O-N 2.61Å
282	W	96.9	Very high	95.7	Very high	5 Å²	5	19 Å²	19	2%	0.019	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.3	-177.2	-39	115	0	0	0	111.7	F17 P20 S276 V284 I294 W295 N296 V303 Y343	F17-W282 HydrophobicContact CE2-CH2 4.06Å; F17-W282 HydrophobicContact CE2-CZ3 4.09Å; F17-W282 HydrophobicContact CZ-CH2 4.47Å; F17-W282 HydrophobicContact CZ-CZ3 4.43Å; P20-W282 HydrophobicContact CB-CZ2 4.4Å; P20-W282 HydrophobicContact CG-CD2 4.32Å; P20-W282 HydrophobicContact CG-CZ2 4.24Å; S276-W282 PolarHBondContact N-O 3.43Å; S276-W282 PolarHBondContact O-N 3.04Å; W282-V284 HydrophobicContact CB-CG2 4.47Å; W282-I294 HydrophobicContact CB-CG2 3.72Å; W282-I294 HydrophobicContact CD2-CG2 4.45Å; W282-I294 HydrophobicContact CG-CG2 4.02Å; W282-W295 VanDerWaalsContact CA-O 3.27Å; W282-W295 WeakPolarHBondContact CA-O 3.44Å; W282-N296 HydrophobicContact CE3-CB 4.33Å; W282-N296 HydrophobicContact CZ3-CB 3.98Å; W282-N296 VanDerWaalsContact CZ3-ND2 3.33Å; W282-N296 WeakPolarHBondContact CZ3-ND2 3.47Å; W282-V303 HydrophobicContact CE3-CG2 3.93Å; W282-V303 HydrophobicContact CZ3-CG1 4.15Å; W282-V303 HydrophobicContact CZ3-CG2 4.03Å; W282-Y343 HydrophobicContact CZ2-CE2 4.2Å
283	I	98.4	Very high	95.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.8	159.3	-58.2	-56.7	0	0	0	107.3	L239 I247 Y261 N274 F275 I294 W295 L297	L239-I283 HydrophobicContact CD1-CD1 3.94Å; L239-I283 HydrophobicContact CD1-CG1 4.5Å; L239-I283 HydrophobicContact CD1-CG2 4.41Å; L239-I283 HydrophobicContact CD2-CD1 4.19Å; L239-I283 HydrophobicContact CD2-CG2 4.12Å; I247-I283 HydrophobicContact CG2-CG2 4.44Å; Y261-I283 HydrophobicContact CD1-CG1 4.4Å; Y261-I283 HydrophobicContact CD2-CG1 4.17Å; Y261-I283 HydrophobicContact CE1-CG1 3.94Å; Y261-I283 HydrophobicContact CE2-CD1 4.43Å; Y261-I283 HydrophobicContact CE2-CG1 3.7Å; N274-I283 WeakPolarHBondContact O-CA 3.35Å; F275-I283 HydrophobicContact CD1-CD1 3.52Å; F275-I283 HydrophobicContact CE1-CD1 3.6Å; F275-I283 HydrophobicContact CG-CD1 4.37Å; I283-I294 CarbonylContact O-C 3.52Å; I283-I294 WeakPolarHBondContact O-CA 3.4Å; I283-W295 HydrophobicContact CB-CB 4.4Å; I283-W295 HydrophobicContact CB-CE3 4.35Å; I283-W295 HydrophobicContact CG2-CE3 4.17Å; I283-W295 PolarHBondContact N-O 2.77Å; I283-W295 PolarHBondContact O-N 3.12Å; I283-L297 HydrophobicContact CD1-CD1 3.75Å; I283-L297 HydrophobicContact CD1-CG 4.38Å; I283-L297 HydrophobicContact CG1-CD1 4.36Å
284	V	98.6	Very high	95.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.8	179.4	-178.8	0	0	0	0	108.4	A273 N274 W282 V292 Y293 I294 I325	A273-V284 CarbonylContact C-O 3.55Å; A273-V284 WeakPolarHBondContact CA-O 3.38Å; N274-V284 HydrophobicContact CB-CB 4.41Å; N274-V284 PolarHBondContact N-O 2.98Å; N274-V284 PolarHBondContact O-N 3.25Å; W282-V284 HydrophobicContact CB-CG2 4.47Å; V284-V292 HydrophobicContact CG1-CG1 3.77Å; V284-Y293 WeakPolarHBondContact CA-O 3.23Å; V284-I294 HydrophobicContact CG2-CG1 4.39Å; V284-I294 HydrophobicContact CG2-CG2 4.39Å; V284-I325 HydrophobicContact CG1-CD1 3.91Å; V284-I325 HydrophobicContact CG1-CG1 4.41Å; V284-I325 HydrophobicContact CG1-CG2 4.02Å; V284-I325 HydrophobicContact CG2-CD1 3.83Å
285	S	98.8	Very high	95.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.007	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	149.1	175.4	-173.9	0	0	0	0	110.7	V292 Y293	S285-V292 WeakPolarHBondContact O-CA 3.31Å; S285-Y293 PolarHBondContact N-O 3.2Å; S285-Y293 PolarHBondContact O-N 3.3Å
286	G	98.7	Very high	95.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.			trans	-70.7	-179.7	161.5	0	0	0	0	0	111.5	I271 V313	I271-G286 WeakPolarHBondContact CG2-O 3.42Å; G286-V313 CarbonylContact C-O 3.54Å; G286-V313 WeakPolarHBondContact CA-O 3.28Å
287	S	98.8	Very high	95.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.			trans	-160	153.4	-178.3	177.7	0	0	0	0	111.2	K265 D289 G290 L291 V313	K265-S287 PolarHBondContact N-OG 3.18Å; K265-S287 PolarHBondContact O-OG 2.88Å; S287-D289 WeakPolarHBondContact CB-OD1 3.4Å; S287-D289 PolarHBondContact O-N 2.79Å; S287-D289 PolarHBondContact OG-OD1 2.8Å; S287-G290 PolarHBondContact O-N 2.85Å; S287-L291 WeakPolarHBondContact CB-O 3.3Å; S287-L291 PolarHBondContact N-O 3.09Å; S287-L291 VanDerWaalsContact N-O 3.16Å; S287-V313 PolarHBondContact N-O 3.33Å; S287-V313 PolarHBondContact O-N 2.73Å
288	E	98.8	Very high	95.8	Very high	27 Å²	27	21.9 Å²	21.9	13%	0.126	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.7	178.4	-63.2	-178.4	178.8	0	0	114.3	K265 K267 K268 Y269 I271 G290 V312	K265-E288 HydrophobicContact CB-CB 4.19Å; K265-E288 HydrophobicContact CD-CB 3.94Å; K265-E288 HydrophobicContact CG-CB 3.93Å; K265-E288 WeakPolarHBondContact O-CB 3.43Å; K265-E288 WeakPolarHBondContact O-CG 3.36Å; K265-E288 PolarHBondContact O-N 2.76Å; K267-E288 VanDerWaalsContact N-CD 3.33Å; K267-E288 PolarHBondContact N-OE1 3.36Å; K267-E288 PolarHBondContact N-OE2 3.17Å; K268-E288 WeakPolarHBondContact CA-OE1 3.37Å; K268-E288 WeakPolarHBondContact CB-OE1 3.49Å; K268-E288 PolarHBondContact N-OE1 3.38Å; Y269-E288 HydrophobicContact CD2-CG 3.98Å; Y269-E288 PolarHBondContact N-OE1 3.23Å; I271-E288 HydrophobicContact CD1-CG 3.94Å; E288-G290 VanDerWaalsContact C-N 3.32Å; E288-V312 HydrophobicContact CB-CG2 4.23Å; E288-V312 HydrophobicContact CG-CG1 4.17Å; E288-V312 HydrophobicContact CG-CG2 4.44Å
289	D	98.5	Very high	96.1	Very high	67 Å²	67	22.6 Å²	22.6	36%	0.358	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	9	173.5	65.7	-5.9	0	0	0	113	S287 L291 Y293	S287-D289 WeakPolarHBondContact CB-OD1 3.4Å; S287-D289 PolarHBondContact O-N 2.79Å; S287-D289 PolarHBondContact OG-OD1 2.8Å; D289-L291 VanDerWaalsContact C-N 3.33Å; D289-L291 WeakPolarHBondContact OD1-CB 3.25Å; D289-L291 PolarHBondContact OD1-N 2.95Å; D289-Y293 WeakPolarHBondContact OD2-CE2 3.43Å; D289-Y293 PolarHBondContact OD2-OH 2.89Å
290	G	98.4	Very high	97	Very high	6 Å²	6	25.9 Å²	25.9	6%	0.062	13%	0.131	C	C	.	.	S	Bend	trans	79.3	11.9	178	0	0	0	0	0	114.8	S287 E288 D311	S287-G290 PolarHBondContact O-N 2.85Å; E288-G290 VanDerWaalsContact C-N 3.32Å; G290-D311 WeakPolarHBondContact CA-O 3.41Å
291	L	98.8	Very high	97.7	Very high	45 Å²	45	31 Å²	31	24%	0.236	15%	0.152	C	C	.	.			trans	-108.1	154	-179.8	-53.8	-179.9	0	0	0	112.4	S287 D289 Y293 K305 L306	S287-L291 WeakPolarHBondContact CB-O 3.3Å; S287-L291 PolarHBondContact N-O 3.09Å; S287-L291 VanDerWaalsContact N-O 3.16Å; D289-L291 VanDerWaalsContact C-N 3.33Å; D289-L291 WeakPolarHBondContact OD1-CB 3.25Å; D289-L291 PolarHBondContact OD1-N 2.95Å; L291-Y293 HydrophobicContact CB-CD2 4.08Å; L291-Y293 HydrophobicContact CB-CE2 3.7Å; L291-Y293 HydrophobicContact CD1-CE2 4.12Å; L291-Y293 HydrophobicContact CG-CE2 4.46Å; L291-K305 HydrophobicContact CD1-CB 4.49Å; L291-K305 HydrophobicContact CD1-CD 4.21Å; L291-L306 WeakPolarHBondContact CA-O 3.45Å
292	V	98.8	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.6	160.5	-179.6	0	0	0	0	108.2	V284 S285 K305 L306 V313 T316	V284-V292 HydrophobicContact CG1-CG1 3.77Å; S285-V292 WeakPolarHBondContact O-CA 3.31Å; V292-K305 CarbonylContact O-C 3.49Å; V292-K305 WeakPolarHBondContact O-CA 3.44Å; V292-L306 HydrophobicContact CB-CB 4.03Å; V292-L306 HydrophobicContact CB-CD1 4.18Å; V292-L306 HydrophobicContact CB-CG 4.2Å; V292-L306 HydrophobicContact CG1-CD1 4.22Å; V292-L306 PolarHBondContact N-O 3.3Å; V292-L306 PolarHBondContact O-N 2.79Å; V292-V313 HydrophobicContact CG2-CG1 4Å; V292-T316 HydrophobicContact CG1-CG2 4.17Å; V292-T316 HydrophobicContact CG2-CG2 4.21Å
293	Y	98.7	Very high	97.9	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.6	177.6	-77.9	-107.3	0	0	0	110.8	G263 H264 V284 S285 D289 L291 W295 I302 K305	G263-Y293 WeakPolarHBondContact O-CE1 3.29Å; G263-Y293 PolarHBondContact O-OH 2.84Å; H264-Y293 HydrophobicContact CB-CD1 4.12Å; H264-Y293 HydrophobicContact CB-CD2 3.7Å; H264-Y293 HydrophobicContact CB-CE1 4.25Å; H264-Y293 HydrophobicContact CB-CE2 3.84Å; H264-Y293 HydrophobicContact CB-CG 3.87Å; V284-Y293 WeakPolarHBondContact CA-O 3.23Å; S285-Y293 PolarHBondContact N-O 3.2Å; S285-Y293 PolarHBondContact O-N 3.3Å; D289-Y293 WeakPolarHBondContact OD2-CE2 3.43Å; D289-Y293 PolarHBondContact OD2-OH 2.89Å; L291-Y293 HydrophobicContact CB-CD2 4.08Å; L291-Y293 HydrophobicContact CB-CE2 3.7Å; L291-Y293 HydrophobicContact CD1-CE2 4.12Å; L291-Y293 HydrophobicContact CG-CE2 4.46Å; Y293-W295 HydrophobicContact CD1-CH2 4.24Å; Y293-W295 AromaticContact CD1-CZ2 3.86Å; Y293-W295 HydrophobicContact CD1-CZ2 3.86Å; Y293-W295 AromaticContact CG-CH2 3.81Å; Y293-W295 HydrophobicContact CG-CH2 3.81Å; Y293-W295 AromaticContact CG-CZ2 3.92Å; Y293-W295 HydrophobicContact CG-CZ2 3.92Å; Y293-W295 HydrophobicContact CG-CZ3 4.47Å; Y293-W295 WeakPolarHBondContact O-CZ3 3.41Å; Y293-I302 HydrophobicContact CD1-CD1 3.93Å; Y293-I302 HydrophobicContact CD1-CG1 4.26Å; Y293-I302 HydrophobicContact CD1-CG2 4.25Å; Y293-I302 HydrophobicContact CE1-CD1 3.94Å; Y293-K305 HydrophobicContact CD1-CD 4.26Å; Y293-K305 HydrophobicContact CD1-CG 4.07Å; Y293-K305 HydrophobicContact CE1-CD 3.66Å; Y293-K305 HydrophobicContact CE1-CG 4Å; Y293-K305 PolarHBondContact OH-NZ 3Å
294	I	98.3	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.6	175.8	-51.2	-176.5	0	0	0	108.5	P20 Y22 W282 I283 V284 I302 V303 Q304 L306 I325	P20-I294 HydrophobicContact CG-CG2 4.13Å; Y22-I294 HydrophobicContact CD2-CD1 3.35Å; Y22-I294 HydrophobicContact CE2-CD1 3.8Å; Y22-I294 HydrophobicContact CG-CD1 4.09Å; W282-I294 HydrophobicContact CB-CG2 3.72Å; W282-I294 HydrophobicContact CD2-CG2 4.45Å; W282-I294 HydrophobicContact CG-CG2 4.02Å; I283-I294 CarbonylContact O-C 3.52Å; I283-I294 WeakPolarHBondContact O-CA 3.4Å; V284-I294 HydrophobicContact CG2-CG1 4.39Å; V284-I294 HydrophobicContact CG2-CG2 4.39Å; I294-I302 CarbonylContact O-C 3.47Å; I294-I302 WeakPolarHBondContact O-CA 3.35Å; I294-V303 HydrophobicContact CB-CG2 4.1Å; I294-V303 HydrophobicContact CG2-CG2 3.68Å; I294-V303 WeakPolarHBondContact O-CG2 3.47Å; I294-V303 PolarHBondContact O-N 3.38Å; I294-Q304 HydrophobicContact CB-CB 4.24Å; I294-Q304 HydrophobicContact CD1-CB 4.27Å; I294-Q304 PolarHBondContact N-O 3.14Å; I294-Q304 PolarHBondContact O-N 3.04Å; I294-L306 HydrophobicContact CD1-CD1 4.14Å; I294-L306 HydrophobicContact CD1-CD2 4.46Å; I294-L306 HydrophobicContact CD1-CG 4.35Å; I294-I325 HydrophobicContact CD1-CD1 3.69Å; I294-I325 HydrophobicContact CG1-CD1 4.42Å
295	W	98.4	Very high	97.9	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.9	176.6	-60.9	-100.9	0	0	0	111.6	I247 Y261 T262 H264 W282 I283 Y293 L297 E301 I302	I247-W295 HydrophobicContact CD1-CH2 4.06Å; I247-W295 HydrophobicContact CD1-CZ3 4.13Å; Y261-W295 HydrophobicContact CD1-CB 3.7Å; Y261-W295 AromaticContact CD1-CG 3.97Å; Y261-W295 HydrophobicContact CD1-CG 3.97Å; Y261-W295 HydrophobicContact CE1-CB 4.32Å; Y261-W295 HydrophobicContact CG-CB 4.46Å; Y261-W295 HydrophobicContact CG-CG 4.37Å; T262-W295 PolarHBondContact O-NE1 2.81Å; H264-W295 HydrophobicContact CB-CH2 3.85Å; H264-W295 HydrophobicContact CB-CZ2 3.88Å; H264-W295 AromaticContact CG-CH2 3.84Å; H264-W295 AromaticContact CG-CZ2 3.95Å; H264-W295 AromaticContact ND1-CH2 3.69Å; H264-W295 AromaticContact ND1-CZ2 3.53Å; W282-W295 VanDerWaalsContact CA-O 3.27Å; W282-W295 WeakPolarHBondContact CA-O 3.44Å; I283-W295 HydrophobicContact CB-CB 4.4Å; I283-W295 HydrophobicContact CB-CE3 4.35Å; I283-W295 HydrophobicContact CG2-CE3 4.17Å; I283-W295 PolarHBondContact N-O 2.77Å; I283-W295 PolarHBondContact O-N 3.12Å; Y293-W295 HydrophobicContact CD1-CH2 4.24Å; Y293-W295 AromaticContact CD1-CZ2 3.86Å; Y293-W295 HydrophobicContact CD1-CZ2 3.86Å; Y293-W295 AromaticContact CG-CH2 3.81Å; Y293-W295 HydrophobicContact CG-CH2 3.81Å; Y293-W295 AromaticContact CG-CZ2 3.92Å; Y293-W295 HydrophobicContact CG-CZ2 3.92Å; Y293-W295 HydrophobicContact CG-CZ3 4.47Å; Y293-W295 WeakPolarHBondContact O-CZ3 3.41Å; W295-L297 PolarHBondContact O-N 2.96Å; W295-E301 CarbonylContact C-O 3.45Å; W295-E301 WeakPolarHBondContact CA-O 3.28Å; W295-I302 VanDerWaalsContact CD1-CG1 3.48Å; W295-I302 HydrophobicContact CG-CG1 4.36Å
296	N	97	Very high	97.8	Very high	21 Å²	21	38.7 Å²	38.7	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.6	162.9	-175.8	-82.7	0	0	0	109.7	F17 W282 Q298 T299 K300 E301 V303	F17-N296 HydrophobicContact CE2-CB 4.43Å; F17-N296 WeakPolarHBondContact CE2-ND2 3.41Å; W282-N296 HydrophobicContact CE3-CB 4.33Å; W282-N296 HydrophobicContact CZ3-CB 3.98Å; W282-N296 VanDerWaalsContact CZ3-ND2 3.33Å; W282-N296 WeakPolarHBondContact CZ3-ND2 3.47Å; N296-Q298 PolarHBondContact O-N 2.98Å; N296-Q298 VanDerWaalsContact OD1-CA 3.32Å; N296-Q298 WeakPolarHBondContact OD1-CA 3.4Å; N296-Q298 WeakPolarHBondContact OD1-CB 3.43Å; N296-Q298 PolarHBondContact OD1-N 3.22Å; N296-T299 VanDerWaalsContact CB-OG1 3.3Å; N296-T299 WeakPolarHBondContact CB-OG1 3.04Å; N296-T299 PolarHBondContact OD1-N 3.35Å; N296-K300 VanDerWaalsContact O-CA 3.29Å; N296-K300 WeakPolarHBondContact O-CA 3.36Å; N296-K300 PolarHBondContact O-N 3.43Å; N296-E301 PolarHBondContact N-O 2.98Å; N296-V303 HydrophobicContact CB-CG1 3.75Å
297	L	96.5	Very high	97.8	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.8	-176.8	-172.8	140.1	0	0	0	113.1	F6 F8 K259 Y261 F275 K281 I283 W295	F6-L297 HydrophobicContact CE1-CD1 4.34Å; F6-L297 HydrophobicContact CE2-CD1 3.76Å; F6-L297 HydrophobicContact CZ-CD1 3.32Å; F6-L297 HydrophobicContact CZ-CD2 4.29Å; F6-L297 HydrophobicContact CZ-CG 4.45Å; F8-L297 HydrophobicContact CE1-CD2 3.66Å; F8-L297 HydrophobicContact CZ-CD2 4.44Å; K259-L297 WeakPolarHBondContact CD-O 3.33Å; K259-L297 WeakPolarHBondContact CE-O 3.36Å; K259-L297 PolarHBondContact NZ-O 3.13Å; Y261-L297 PolarHBondContact OH-O 2.63Å; F275-L297 HydrophobicContact CD1-CD1 3.81Å; F275-L297 HydrophobicContact CE1-CD1 4.02Å; K281-L297 HydrophobicContact CB-CB 4.03Å; K281-L297 HydrophobicContact CB-CD1 4.49Å; K281-L297 WeakPolarHBondContact O-CB 3.4Å; K281-L297 PolarHBondContact O-N 2.61Å; I283-L297 HydrophobicContact CD1-CD1 3.75Å; I283-L297 HydrophobicContact CD1-CG 4.38Å; I283-L297 HydrophobicContact CG1-CD1 4.36Å; W295-L297 PolarHBondContact O-N 2.96Å
298	Q	94.8	Very high	97.7	Very high	110 Å²	110	43.2 Å²	43.2	51%	0.514	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-55.4	-178.7	-170.6	65.4	12.4	0	0	113.3	F8 N296 K300	F8-Q298 VanDerWaalsContact CD1-OE1 3.28Å; N296-Q298 PolarHBondContact O-N 2.98Å; N296-Q298 VanDerWaalsContact OD1-CA 3.32Å; N296-Q298 WeakPolarHBondContact OD1-CA 3.4Å; N296-Q298 WeakPolarHBondContact OD1-CB 3.43Å; N296-Q298 PolarHBondContact OD1-N 3.22Å; Q298-K300 VanDerWaalsContact C-N 3.31Å
299	T	96.2	Very high	97.7	Very high	62 Å²	62	42.8 Å²	42.8	38%	0.38	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.2	-175.1	70.8	0	0	0	0	112.5	N296 E301	N296-T299 VanDerWaalsContact CB-OG1 3.3Å; N296-T299 WeakPolarHBondContact CB-OG1 3.04Å; N296-T299 PolarHBondContact OD1-N 3.35Å; T299-E301 WeakPolarHBondContact CB-OE2 3.23Å; T299-E301 PolarHBondContact O-N 3.47Å; T299-E301 PolarHBondContact OG1-N 3.1Å; T299-E301 PolarHBondContact OG1-OE2 3.03Å
300	K	97.3	Very high	97.7	Very high	106 Å²	106	43.5 Å²	43.5	46%	0.461	25%	0.251	S	S	.	.			trans	68.1	6.1	-176.6	-44.1	162.9	-69.3	172.7	0	113.8	K259 E260 Y261 N296 Q298	K259-K300 HydrophobicContact CB-CD 4.11Å; K259-K300 HydrophobicContact CB-CG 4.19Å; K259-K300 HydrophobicContact CD-CG 4.32Å; K259-K300 HydrophobicContact CG-CD 4.36Å; K259-K300 HydrophobicContact CG-CG 4.4Å; E260-K300 WeakPolarHBondContact O-CD 3.33Å; Y261-K300 HydrophobicContact CD1-CB 3.94Å; Y261-K300 HydrophobicContact CD1-CG 4.29Å; Y261-K300 HydrophobicContact CE1-CB 4.08Å; Y261-K300 HydrophobicContact CE1-CG 4.01Å; N296-K300 VanDerWaalsContact O-CA 3.29Å; N296-K300 WeakPolarHBondContact O-CA 3.36Å; N296-K300 PolarHBondContact O-N 3.43Å; Q298-K300 VanDerWaalsContact C-N 3.31Å
301	E	97.5	Very high	97.7	Very high	119 Å²	119	44.5 Å²	44.5	56%	0.556	25%	0.254	S	S	*	.			trans	-72.8	143.3	178.2	-65.9	164.1	151.9	0	0	110.1	W295 N296 T299 V303	W295-E301 CarbonylContact C-O 3.45Å; W295-E301 WeakPolarHBondContact CA-O 3.28Å; N296-E301 PolarHBondContact N-O 2.98Å; T299-E301 WeakPolarHBondContact CB-OE2 3.23Å; T299-E301 PolarHBondContact O-N 3.47Å; T299-E301 PolarHBondContact OG1-N 3.1Å; T299-E301 PolarHBondContact OG1-OE2 3.03Å; E301-V303 PolarHBondContact O-N 3.03Å
302	I	98.1	Very high	97.7	Very high	61 Å²	61	42.9 Å²	42.9	31%	0.313	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	115.4	167.5	-62.5	164.3	0	0	0	107.1	Y293 I294 W295 K305	Y293-I302 HydrophobicContact CD1-CD1 3.93Å; Y293-I302 HydrophobicContact CD1-CG1 4.26Å; Y293-I302 HydrophobicContact CD1-CG2 4.25Å; Y293-I302 HydrophobicContact CE1-CD1 3.94Å; I294-I302 CarbonylContact O-C 3.47Å; I294-I302 WeakPolarHBondContact O-CA 3.35Å; W295-I302 VanDerWaalsContact CD1-CG1 3.48Å; W295-I302 HydrophobicContact CG-CG1 4.36Å; I302-K305 HydrophobicContact CG2-CG 3.76Å
303	V	96.9	Very high	97.7	Very high	26 Å²	26	42.9 Å²	42.9	16%	0.158	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-21.6	-178.3	-60.1	0	0	0	0	112.3	F17 A19 P20 W282 I294 N296 E301	F17-V303 HydrophobicContact CE2-CG1 4.38Å; F17-V303 HydrophobicContact CZ-CB 4.4Å; F17-V303 HydrophobicContact CZ-CG1 3.61Å; A19-V303 HydrophobicContact CB-CB 4.42Å; P20-V303 HydrophobicContact CG-CG2 3.67Å; W282-V303 HydrophobicContact CE3-CG2 3.93Å; W282-V303 HydrophobicContact CZ3-CG1 4.15Å; W282-V303 HydrophobicContact CZ3-CG2 4.03Å; I294-V303 HydrophobicContact CB-CG2 4.1Å; I294-V303 HydrophobicContact CG2-CG2 3.68Å; I294-V303 WeakPolarHBondContact O-CG2 3.47Å; I294-V303 PolarHBondContact O-N 3.38Å; N296-V303 HydrophobicContact CB-CG1 3.75Å; E301-V303 PolarHBondContact O-N 3.03Å
304	Q	97.6	Very high	97.7	Very high	39 Å²	39	43.7 Å²	43.7	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	147.4	175.1	-152	178.2	-0.9	0	0	110.9	P20 Y22 I294 L306	P20-Q304 PolarHBondContact O-OE1 2.81Å; Y22-Q304 PolarHBondContact O-NE2 2.95Å; I294-Q304 HydrophobicContact CB-CB 4.24Å; I294-Q304 HydrophobicContact CD1-CB 4.27Å; I294-Q304 PolarHBondContact N-O 3.14Å; I294-Q304 PolarHBondContact O-N 3.04Å; Q304-L306 VanDerWaalsContact CD-CD2 3.46Å; Q304-L306 HydrophobicContact CG-CD2 3.8Å
305	K	98.3	Very high	97.7	Very high	105 Å²	105	43.7 Å²	43.7	46%	0.457	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.9	166.4	-57.6	-173.7	-175	-162.7	0	108.4	L291 V292 Y293 I302	L291-K305 HydrophobicContact CD1-CB 4.49Å; L291-K305 HydrophobicContact CD1-CD 4.21Å; V292-K305 CarbonylContact O-C 3.49Å; V292-K305 WeakPolarHBondContact O-CA 3.44Å; Y293-K305 HydrophobicContact CD1-CD 4.26Å; Y293-K305 HydrophobicContact CD1-CG 4.07Å; Y293-K305 HydrophobicContact CE1-CD 3.66Å; Y293-K305 HydrophobicContact CE1-CG 4Å; Y293-K305 PolarHBondContact OH-NZ 3Å; I302-K305 HydrophobicContact CG2-CG 3.76Å
306	L	98.4	Very high	97.7	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.1	179.2	-40	179.4	0	0	0	108.8	Y22 L291 V292 I294 Q304 W339	Y22-L306 HydrophobicContact CG-CD1 4.45Å; L291-L306 WeakPolarHBondContact CA-O 3.45Å; V292-L306 HydrophobicContact CB-CB 4.03Å; V292-L306 HydrophobicContact CB-CD1 4.18Å; V292-L306 HydrophobicContact CB-CG 4.2Å; V292-L306 HydrophobicContact CG1-CD1 4.22Å; V292-L306 PolarHBondContact N-O 3.3Å; V292-L306 PolarHBondContact O-N 2.79Å; I294-L306 HydrophobicContact CD1-CD1 4.14Å; I294-L306 HydrophobicContact CD1-CD2 4.46Å; I294-L306 HydrophobicContact CD1-CG 4.35Å; Q304-L306 VanDerWaalsContact CD-CD2 3.46Å; Q304-L306 HydrophobicContact CG-CD2 3.8Å; L306-W339 HydrophobicContact CB-CD2 4.09Å; L306-W339 HydrophobicContact CB-CE3 3.83Å; L306-W339 HydrophobicContact CB-CH2 3.99Å; L306-W339 HydrophobicContact CB-CZ2 4.22Å; L306-W339 HydrophobicContact CB-CZ3 3.78Å; L306-W339 HydrophobicContact CD1-CB 3.84Å; L306-W339 HydrophobicContact CD1-CD2 3.6Å; L306-W339 HydrophobicContact CD1-CE3 3.91Å; L306-W339 HydrophobicContact CD1-CG 3.55Å; L306-W339 HydrophobicContact CG-CD2 4.44Å; L306-W339 HydrophobicContact CG-CE3 4.36Å
307	G	97.6	Very high	97.8	Very high	47 Å²	47	43 Å²	43	49%	0.485	25%	0.248	S	C	.	.			trans	-103	154.2	175.9	0	0	0	0	0	111.9	W339	G307-W339 VanDerWaalsContact O-CH2 3.25Å; G307-W339 WeakPolarHBondContact O-CH2 3Å
308	G	97.2	Very high	97.9	Very high	48 Å²	48	44 Å²	44	50%	0.495	26%	0.255	S	S	.	.			trans	147.4	-13.7	174.3	0	0	0	0	0	114.6	K337	G308-K337 WeakPolarHBondContact O-CE 3.47Å; G308-K337 PolarHBondContact O-NZ 3.45Å
309	H	98.6	Very high	98	Very high	18 Å²	18	39 Å²	39	8%	0.083	23%	0.232	C	C	.	.			trans	-80.8	147.1	168.8	-78.3	-67.7	0	0	0	110.9	V313 S327 A329 D333 T335	H309-V313 HydrophobicContact CB-CG2 3.83Å; H309-S327 PolarHBondContact CD2-OG 2.92Å; H309-S327 PolarHBondContact NE2-OG 3.38Å; H309-A329 HydrophobicContact CB-CB 4.22Å; H309-A329 WeakPolarHBondContact ND1-CB 3.49Å; H309-D333 WeakPolarHBondContact CA-OD2 3.26Å; H309-D333 VanDerWaalsContact CB-OD2 3.23Å; H309-D333 WeakPolarHBondContact CB-OD2 3.23Å; H309-D333 IonicContact CG-OD2 3.72Å; H309-D333 IonicContact ND1-OD1 2.82Å; H309-D333 IonicContact ND1-OD2 3.1Å; H309-D333 PolarHBondContact ND1-OD2 3.05Å; H309-T335 PolarHBondContact CE1-O 3.24Å
310	A	98.1	Very high	98.1	Very high	83 Å²	83	39.1 Å²	39.1	69%	0.686	23%	0.233	S	C	*	.	S	Bend	trans	-98.5	-4.8	-178.6	0	0	0	0	0	113.4	D333	A310-D333 HydrophobicContact CB-CB 4.39Å; A310-D333 PolarHBondContact N-OD2 3.25Å
311	D	98.5	Very high	98	Very high	26 Å²	26	37.7 Å²	37.7	14%	0.139	24%	0.237	C	C	.	.	S	Bend	trans	-142.6	177.1	178.7	-156	-10.9	0	0	0	109.7	G290 V313 L330 E331 N332 D333	G290-D311 WeakPolarHBondContact CA-O 3.41Å; D311-V313 PolarHBondContact O-N 3.43Å; D311-L330 HydrophobicContact CB-CB 4.45Å; D311-E331 PolarHBondContact OD2-N 3.44Å; D311-N332 HydrophobicContact CB-CB 4Å; D311-N332 VanDerWaalsContact OD2-CB 3.28Å; D311-N332 WeakPolarHBondContact OD2-CB 3.36Å; D311-N332 PolarHBondContact OD2-N 3.12Å; D311-N332 PolarHBondContact OD2-ND2 3.06Å; D311-N332 VanDerWaalsContact OD2-ND2 3.09Å; D311-D333 HydrophobicContact CB-CB 3.81Å
312	V	98.8	Very high	97.9	Very high	11 Å²	11	36.4 Å²	36.4	7%	0.067	23%	0.231	C	C	.	.			trans	-47.4	127.3	175.9	177	0	0	0	0	111.1	Y269 I271 E288 L314 A329 L330	Y269-V312 HydrophobicContact CD2-CG1 3.94Å; Y269-V312 HydrophobicContact CD2-CG2 4.18Å; Y269-V312 HydrophobicContact CE2-CG1 4.38Å; Y269-V312 HydrophobicContact CE2-CG2 3.81Å; Y269-V312 HydrophobicContact CG-CG1 4.45Å; I271-V312 HydrophobicContact CD1-CG1 4.3Å; E288-V312 HydrophobicContact CB-CG2 4.23Å; E288-V312 HydrophobicContact CG-CG1 4.17Å; E288-V312 HydrophobicContact CG-CG2 4.44Å; V312-L314 PolarHBondContact O-N 2.58Å; V312-A329 VanDerWaalsContact O-CA 3.25Å; V312-A329 WeakPolarHBondContact O-CA 3.43Å; V312-A329 WeakPolarHBondContact O-CB 3.42Å; V312-L330 HydrophobicContact CB-CB 4.42Å; V312-L330 HydrophobicContact CB-CD1 3.64Å; V312-L330 HydrophobicContact CB-CG 3.92Å; V312-L330 HydrophobicContact CG1-CD1 3.96Å; V312-L330 HydrophobicContact CG1-CG 4.29Å; V312-L330 HydrophobicContact CG2-CD1 4.11Å; V312-L330 PolarHBondContact O-N 3.22Å
313	V	98.8	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	96.9	171.2	-174.2	0	0	0	0	108	G286 S287 V292 H309 D311 T316	G286-V313 CarbonylContact C-O 3.54Å; G286-V313 WeakPolarHBondContact CA-O 3.28Å; S287-V313 PolarHBondContact N-O 3.33Å; S287-V313 PolarHBondContact O-N 2.73Å; V292-V313 HydrophobicContact CG2-CG1 4Å; H309-V313 HydrophobicContact CB-CG2 3.83Å; D311-V313 PolarHBondContact O-N 3.43Å; V313-T316 HydrophobicContact CG1-CG2 4.14Å
314	L	98.7	Very high	97.9	Very high	24 Å²	24	33.6 Å²	33.6	13%	0.126	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-38.6	-174.1	-177.6	65.6	0	0	0	112.2	C270 I271 V272 V312 G328 L330	C270-L314 WeakPolarHBondContact O-CD1 3.39Å; I271-L314 WeakPolarHBondContact CA-O 3.5Å; I271-L314 HydrophobicContact CG1-CD1 4.45Å; V272-L314 PolarHBondContact N-O 3.46Å; V272-L314 VanDerWaalsContact N-O 3.08Å; V312-L314 PolarHBondContact O-N 2.58Å; L314-G328 PolarHBondContact N-O 3.49Å; L314-G328 VanDerWaalsContact N-O 3.08Å; L314-L330 HydrophobicContact CB-CD2 3.75Å; L314-L330 HydrophobicContact CB-CG 4.18Å; L314-L330 HydrophobicContact CD2-CD2 3.54Å; L314-L330 HydrophobicContact CG-CD2 4.12Å
315	C	98.6	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.8	-172.5	58.3	0	0	0	0	112	V38 V272 S327 G328	V38-C315 HydrophobicContact CG2-CB 4.34Å; V272-C315 HydrophobicContact CB-CB 4.49Å; V272-C315 HydrophobicContact CG2-CB 4.09Å; C315-S327 VanDerWaalsContact O-CA 3.31Å; C315-S327 WeakPolarHBondContact O-CA 3.48Å; C315-G328 PolarHBondContact N-O 2.96Å; C315-G328 PolarHBondContact O-N 3.14Å
316	T	98.7	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.3	170.7	58.2	0	0	0	0	109.9	V272 N274 V292 V313 A326	V272-T316 PolarHBondContact O-OG1 3.38Å; N274-T316 PolarHBondContact ND2-O 2.85Å; N274-T316 PolarHBondContact ND2-OG1 3.06Å; V292-T316 HydrophobicContact CG1-CG2 4.17Å; V292-T316 HydrophobicContact CG2-CG2 4.21Å; V313-T316 HydrophobicContact CG1-CG2 4.14Å; T316-A326 CarbonylContact C-O 3.52Å; T316-A326 WeakPolarHBondContact CA-O 3.45Å
317	S	98.5	Very high	98	Very high	9 Å²	9	26.4 Å²	26.4	6%	0.063	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141.8	173	-170.5	0	0	0	0	110	V38 F40 I325 A326	V38-S317 WeakPolarHBondContact O-CB 3.31Å; F40-S317 WeakPolarHBondContact CE2-O 3.46Å; F40-S317 PolarHBondContact N-OG 3.34Å; S317-I325 CarbonylContact O-C 3.54Å; S317-I325 WeakPolarHBondContact O-CA 3.27Å; S317-A326 PolarHBondContact N-O 3.28Å; S317-A326 PolarHBondContact O-N 3.43Å
318	C	98.3	Very high	98.1	Very high	23 Å²	23	24.2 Å²	24.2	16%	0.155	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.5	175	-61.1	0	0	0	0	109.4	F40	F40-C318 VanDerWaalsContact CD2-C 3.48Å
319	H	98.3	Very high	98.1	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.032	14%	0.137	C	C	.	.			trans	-65.6	143	177.7	-171.1	-85.5	0	0	0	111	F40 G44 S321 E322 I324	F40-H319 AromaticContact CD1-CD2 3.65Å; F40-H319 HydrophobicContact CD2-CB 4.09Å; F40-H319 AromaticContact CE1-CD2 3.8Å; F40-H319 HydrophobicContact CE2-CB 4.03Å; F40-H319 HydrophobicContact CG-CB 4.35Å; F40-H319 HydrophobicContact CZ-CB 4.27Å; G44-H319 VanDerWaalsContact CA-NE2 3.3Å; G44-H319 WeakPolarHBondContact CA-NE2 3.36Å; G44-H319 PolarHBondContact O-NE2 2.97Å; H319-S321 VanDerWaalsContact C-N 3.33Å; H319-S321 PolarHBondContact CE1-OG 2.97Å; H319-S321 VanDerWaalsContact CE1-OG 3.23Å; H319-S321 PolarHBondContact ND1-N 3.47Å; H319-S321 PolarHBondContact ND1-OG 2.71Å; H319-S321 PolarHBondContact O-N 2.8Å; H319-E322 HydrophobicContact CB-CB 4.28Å; H319-E322 VanDerWaalsContact ND1-CB 3.3Å; H319-E322 WeakPolarHBondContact ND1-CB 3.32Å; H319-E322 PolarHBondContact ND1-N 3.14Å; H319-I324 HydrophobicContact CB-CB 3.9Å; H319-I324 WeakPolarHBondContact CB-O 3.37Å; H319-I324 PolarHBondContact N-O 2.81Å
320	P	96.7	Very high	98.1	Very high	63 Å²	63	22 Å²	22	41%	0.409	14%	0.138	S	C	.	.	S	Bend	trans	-65.5	-30.8	-174.4	23.9	-35.6	0	0	0	114.3
321	S	95.7	Very high	98.1	Very high	76 Å²	76	21.7 Å²	21.7	53%	0.531	12%	0.122	S	C	.	.	S	Bend	trans	-127.9	-11.2	-174.3	64.3	0	0	0	0	115.7	H319	H319-S321 VanDerWaalsContact C-N 3.33Å; H319-S321 PolarHBondContact CE1-OG 2.97Å; H319-S321 VanDerWaalsContact CE1-OG 3.23Å; H319-S321 PolarHBondContact ND1-N 3.47Å; H319-S321 PolarHBondContact ND1-OG 2.71Å; H319-S321 PolarHBondContact O-N 2.8Å
322	E	96.5	Very high	98.1	Very high	93 Å²	93	26.8 Å²	26.8	44%	0.435	15%	0.149	S	C	.	.	S	Bend	trans	-120.4	156.3	-171.7	-64.1	-63.6	149.2	0	0	108.8	L62 T278 H319 I324	L62-E322 HydrophobicContact CD2-CG 4.31Å; T278-E322 PolarHBondContact OG1-O 2.74Å; H319-E322 HydrophobicContact CB-CB 4.28Å; H319-E322 VanDerWaalsContact ND1-CB 3.3Å; H319-E322 WeakPolarHBondContact ND1-CB 3.32Å; H319-E322 PolarHBondContact ND1-N 3.14Å; E322-I324 HydrophobicContact CB-CD1 3.99Å; E322-I324 HydrophobicContact CB-CG1 4Å; E322-I324 PolarHBondContact O-N 3.05Å
323	N	96.7	Very high	98.1	Very high	24 Å²	24	27.4 Å²	27.4	13%	0.128	15%	0.152	C	C	.	.	S	Bend	trans	-80.5	59.3	176	-60.9	-30.9	0	0	0	110.8	Y22 T278 A279 I340 S341 Y343	Y22-N323 WeakPolarHBondContact CE1-O 3.08Å; T278-N323 VanDerWaalsContact CB-OD1 3.3Å; T278-N323 WeakPolarHBondContact CB-OD1 3.44Å; T278-N323 PolarHBondContact OG1-OD1 2.86Å; A279-N323 WeakPolarHBondContact CB-ND2 3.3Å; A279-N323 WeakPolarHBondContact CB-OD1 3.24Å; A279-N323 PolarHBondContact N-OD1 3.47Å; N323-I340 WeakPolarHBondContact O-CA 3.47Å; N323-S341 VanDerWaalsContact CB-O 3.3Å; N323-S341 WeakPolarHBondContact CB-O 3.27Å; N323-S341 PolarHBondContact O-N 3Å; N323-Y343 PolarHBondContact ND2-OXT 2.97Å
324	I	97.7	Very high	98.1	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.7	-179.7	-58.8	173.2	0	0	0	109.8	F40 L62 H319 E322 A338 W339 I340	F40-I324 HydrophobicContact CZ-CG2 3.79Å; L62-I324 HydrophobicContact CD2-CD1 3.7Å; H319-I324 HydrophobicContact CB-CB 3.9Å; H319-I324 WeakPolarHBondContact CB-O 3.37Å; H319-I324 PolarHBondContact N-O 2.81Å; E322-I324 HydrophobicContact CB-CD1 3.99Å; E322-I324 HydrophobicContact CB-CG1 4Å; E322-I324 PolarHBondContact O-N 3.05Å; I324-A338 HydrophobicContact CG2-CB 4.35Å; I324-W339 CarbonylContact C-O 3.5Å; I324-W339 WeakPolarHBondContact CA-O 3.49Å; I324-I340 HydrophobicContact CD1-CD1 4.43Å; I324-I340 HydrophobicContact CG1-CB 4.38Å; I324-I340 HydrophobicContact CG1-CD1 4.23Å; I324-I340 HydrophobicContact CG1-CG1 4.05Å
325	I	98.5	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.2	169.3	-65.3	164.9	0	0	0	107.6	Y22 V284 I294 S317 A338 W339	Y22-I325 HydrophobicContact CD1-CD1 3.9Å; Y22-I325 HydrophobicContact CD1-CG1 4.21Å; Y22-I325 HydrophobicContact CD2-CD1 3.97Å; Y22-I325 HydrophobicContact CE1-CB 4.31Å; Y22-I325 HydrophobicContact CE1-CD1 3.57Å; Y22-I325 HydrophobicContact CE1-CG1 3.63Å; Y22-I325 HydrophobicContact CE2-CD1 3.66Å; Y22-I325 HydrophobicContact CG-CD1 4.08Å; Y22-I325 VanDerWaalsContact CZ-CD1 3.44Å; V284-I325 HydrophobicContact CG1-CD1 3.91Å; V284-I325 HydrophobicContact CG1-CG1 4.41Å; V284-I325 HydrophobicContact CG1-CG2 4.02Å; V284-I325 HydrophobicContact CG2-CD1 3.83Å; I294-I325 HydrophobicContact CD1-CD1 3.69Å; I294-I325 HydrophobicContact CG1-CD1 4.42Å; S317-I325 CarbonylContact O-C 3.54Å; S317-I325 WeakPolarHBondContact O-CA 3.27Å; I325-A338 CarbonylContact O-C 3.55Å; I325-A338 VanDerWaalsContact O-CA 3.3Å; I325-A338 WeakPolarHBondContact O-CA 3.29Å; I325-W339 HydrophobicContact CB-CB 4.4Å; I325-W339 PolarHBondContact N-O 3.09Å; I325-W339 VanDerWaalsContact O-CD1 3.26Å; I325-W339 PolarHBondContact O-N 3.46Å
326	A	98.7	Very high	98.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.8	164.7	0	0	0	0	0	109.5	V38 F40 L47 T316 S317 K337	V38-A326 HydrophobicContact CG2-CB 4.23Å; F40-A326 HydrophobicContact CE2-CB 3.68Å; F40-A326 HydrophobicContact CZ-CB 3.68Å; L47-A326 HydrophobicContact CD1-CB 3.79Å; L47-A326 HydrophobicContact CD2-CB 3.89Å; T316-A326 CarbonylContact C-O 3.52Å; T316-A326 WeakPolarHBondContact CA-O 3.45Å; S317-A326 PolarHBondContact N-O 3.28Å; S317-A326 PolarHBondContact O-N 3.43Å; A326-K337 CarbonylContact C-O 3.58Å; A326-K337 WeakPolarHBondContact CA-O 3.44Å
327	S	98.9	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141	173.9	58.9	0	0	0	0	111.1	H309 C315 I336 K337 W339	H309-S327 PolarHBondContact CD2-OG 2.92Å; H309-S327 PolarHBondContact NE2-OG 3.38Å; C315-S327 VanDerWaalsContact O-CA 3.31Å; C315-S327 WeakPolarHBondContact O-CA 3.48Å; S327-I336 CarbonylContact O-C 3.56Å; S327-I336 WeakPolarHBondContact O-CA 3.37Å; S327-I336 WeakPolarHBondContact O-CG2 3.27Å; S327-K337 PolarHBondContact N-O 3.5Å; S327-K337 PolarHBondContact O-N 2.92Å; S327-W339 PolarHBondContact OG-NE1 3.27Å
328	G	98.8	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.5	176	0	0	0	0	0	111.5	L314 C315	L314-G328 PolarHBondContact N-O 3.49Å; L314-G328 VanDerWaalsContact N-O 3.08Å; C315-G328 PolarHBondContact N-O 2.96Å; C315-G328 PolarHBondContact O-N 3.14Å
329	A	98.8	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	163.7	-174	0	0	0	0	0	114.1	I35 H309 V312 D333 T335	I35-A329 PolarHBondContact N-O 2.97Å; I35-A329 VanDerWaalsContact N-O 3.09Å; H309-A329 HydrophobicContact CB-CB 4.22Å; H309-A329 WeakPolarHBondContact ND1-CB 3.49Å; V312-A329 VanDerWaalsContact O-CA 3.25Å; V312-A329 WeakPolarHBondContact O-CA 3.43Å; V312-A329 WeakPolarHBondContact O-CB 3.42Å; A329-D333 HydrophobicContact CB-CB 3.61Å; A329-T335 PolarHBondContact N-O 3.4Å
330	L	98.6	Very high	98	Very high	20 Å²	20	32.7 Å²	32.7	11%	0.105	17%	0.174	C	C	.	.			trans	-74.3	-167.6	-175	-66.4	-170	0	0	0	114	A34 Y269 D311 V312 L314 N332 D333 K334	A34-L330 HydrophobicContact CB-CB 4.48Å; A34-L330 HydrophobicContact CB-CD2 4.13Å; Y269-L330 HydrophobicContact CD1-CD1 3.97Å; Y269-L330 HydrophobicContact CD2-CD1 4.36Å; Y269-L330 HydrophobicContact CE1-CD1 3.65Å; Y269-L330 HydrophobicContact CE2-CD1 4.04Å; Y269-L330 HydrophobicContact CG-CD1 4.32Å; D311-L330 HydrophobicContact CB-CB 4.45Å; V312-L330 HydrophobicContact CB-CB 4.42Å; V312-L330 HydrophobicContact CB-CD1 3.64Å; V312-L330 HydrophobicContact CB-CG 3.92Å; V312-L330 HydrophobicContact CG1-CD1 3.96Å; V312-L330 HydrophobicContact CG1-CG 4.29Å; V312-L330 HydrophobicContact CG2-CD1 4.11Å; V312-L330 PolarHBondContact O-N 3.22Å; L314-L330 HydrophobicContact CB-CD2 3.75Å; L314-L330 HydrophobicContact CB-CG 4.18Å; L314-L330 HydrophobicContact CD2-CD2 3.54Å; L314-L330 HydrophobicContact CG-CD2 4.12Å; L330-N332 VanDerWaalsContact C-N 3.3Å; L330-N332 PolarHBondContact O-N 3.42Å; L330-D333 PolarHBondContact O-N 2.58Å; L330-K334 PolarHBondContact O-N 3.02Å
331	E	98.2	Very high	98	Very high	76 Å²	76	30 Å²	30	36%	0.355	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.3	-162.6	-170.1	61.7	-149.1	0	0	114.3	K33 A34 D311 D333 K334	K33-E331 WeakPolarHBondContact CA-OE2 3.19Å; K33-E331 WeakPolarHBondContact CB-OE2 3.26Å; A34-E331 HydrophobicContact CB-CB 4.24Å; A34-E331 PolarHBondContact N-OE2 2.76Å; D311-E331 PolarHBondContact OD2-N 3.44Å; E331-D333 VanDerWaalsContact C-N 3.3Å; E331-D333 PolarHBondContact O-N 3.23Å; E331-K334 WeakPolarHBondContact O-CE 3.49Å; E331-K334 VanDerWaalsContact O-CG 3.28Å; E331-K334 WeakPolarHBondContact O-CG 3.39Å; E331-K334 WeakPolarHBondContact OE1-CE 3.35Å; E331-K334 IonicContact OE1-NZ 2.77Å; E331-K334 PolarHBondContact OE1-NZ 3.43Å
332	N	97.9	Very high	97.7	Very high	133 Å²	133	31.8 Å²	31.8	71%	0.711	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-6	179.6	-56.7	-54	0	0	0	113.5	D311 L330	D311-N332 HydrophobicContact CB-CB 4Å; D311-N332 VanDerWaalsContact OD2-CB 3.28Å; D311-N332 WeakPolarHBondContact OD2-CB 3.36Å; D311-N332 PolarHBondContact OD2-N 3.12Å; D311-N332 PolarHBondContact OD2-ND2 3.06Å; D311-N332 VanDerWaalsContact OD2-ND2 3.09Å; L330-N332 VanDerWaalsContact C-N 3.3Å; L330-N332 PolarHBondContact O-N 3.42Å
333	D	98.3	Very high	96.9	Very high	24 Å²	24	31.8 Å²	31.8	13%	0.128	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-57.2	-179.8	-177.1	-49.2	0	0	0	111.7	H309 A310 D311 A329 L330 E331 T335	H309-D333 WeakPolarHBondContact CA-OD2 3.26Å; H309-D333 VanDerWaalsContact CB-OD2 3.23Å; H309-D333 WeakPolarHBondContact CB-OD2 3.23Å; H309-D333 IonicContact CG-OD2 3.72Å; H309-D333 IonicContact ND1-OD1 2.82Å; H309-D333 IonicContact ND1-OD2 3.1Å; H309-D333 PolarHBondContact ND1-OD2 3.05Å; A310-D333 HydrophobicContact CB-CB 4.39Å; A310-D333 PolarHBondContact N-OD2 3.25Å; D311-D333 HydrophobicContact CB-CB 3.81Å; A329-D333 HydrophobicContact CB-CB 3.61Å; L330-D333 PolarHBondContact O-N 2.58Å; E331-D333 VanDerWaalsContact C-N 3.3Å; E331-D333 PolarHBondContact O-N 3.23Å; D333-T335 PolarHBondContact O-N 2.85Å; D333-T335 VanDerWaalsContact O-N 3.12Å; D333-T335 WeakPolarHBondContact OD1-CA 3.28Å; D333-T335 WeakPolarHBondContact OD1-CB 3.4Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.15Å; D333-T335 PolarHBondContact OD1-N 3.36Å; D333-T335 PolarHBondContact OD1-OG1 2.8Å
334	K	98.5	Very high	96.9	Very high	64 Å²	64	32.2 Å²	32.2	28%	0.278	16%	0.159	S	C	.	.			trans	59.7	13.7	179.1	-44.1	178.4	-176.9	-163.1	0	115.3	T32 I35 L330 E331	T32-K334 PolarHBondContact O-NZ 2.88Å; I35-K334 VanDerWaalsContact CD1-C 3.47Å; I35-K334 WeakPolarHBondContact CD1-O 3.37Å; L330-K334 PolarHBondContact O-N 3.02Å; E331-K334 WeakPolarHBondContact O-CE 3.49Å; E331-K334 VanDerWaalsContact O-CG 3.28Å; E331-K334 WeakPolarHBondContact O-CG 3.39Å; E331-K334 WeakPolarHBondContact OE1-CE 3.35Å; E331-K334 IonicContact OE1-NZ 2.77Å; E331-K334 PolarHBondContact OE1-NZ 3.43Å
335	T	98.7	Very high	96.8	Very high	24 Å²	24	33.7 Å²	33.7	15%	0.147	17%	0.166	C	C	.	.			trans	-103.3	156.3	177.6	75	0	0	0	0	112.7	T27 V28 I35 H309 A329 D333	T27-T335 HydrophobicContact CG2-CG2 4.02Å; V28-T335 WeakPolarHBondContact O-CA 3.37Å; I35-T335 WeakPolarHBondContact CD1-O 3.31Å; H309-T335 PolarHBondContact CE1-O 3.24Å; A329-T335 PolarHBondContact N-O 3.4Å; D333-T335 PolarHBondContact O-N 2.85Å; D333-T335 VanDerWaalsContact O-N 3.12Å; D333-T335 WeakPolarHBondContact OD1-CA 3.28Å; D333-T335 WeakPolarHBondContact OD1-CB 3.4Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.15Å; D333-T335 PolarHBondContact OD1-N 3.36Å; D333-T335 PolarHBondContact OD1-OG1 2.8Å
336	I	98.8	Very high	96.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.1	165.2	-56.3	170.2	0	0	0	107.5	T27 V28 I35 V38 L47 W59 S327	T27-I336 CarbonylContact C-O 3.16Å; T27-I336 WeakPolarHBondContact CA-O 3.3Å; V28-I336 HydrophobicContact CB-CB 4.3Å; V28-I336 PolarHBondContact N-O 2.99Å; V28-I336 PolarHBondContact O-N 2.94Å; I35-I336 HydrophobicContact CD1-CD1 4.4Å; I35-I336 HydrophobicContact CD1-CG1 3.51Å; I35-I336 HydrophobicContact CG1-CG1 4.43Å; V38-I336 HydrophobicContact CG1-CD1 4.05Å; V38-I336 HydrophobicContact CG1-CG1 4.1Å; V38-I336 HydrophobicContact CG1-CG2 4.28Å; L47-I336 HydrophobicContact CD2-CG2 3.9Å; W59-I336 HydrophobicContact CZ2-CD1 4.34Å; S327-I336 CarbonylContact O-C 3.56Å; S327-I336 WeakPolarHBondContact O-CA 3.37Å; S327-I336 WeakPolarHBondContact O-CG2 3.27Å
337	K	98.8	Very high	96.6	Very high	20 Å²	20	37.6 Å²	37.6	9%	0.087	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.5	173.2	-68.5	177.1	-169.6	-80.8	0	109.8	L24 T27 G308 A326 S327 W339	L24-K337 HydrophobicContact CD1-CB 3.72Å; L24-K337 HydrophobicContact CD1-CD 4.04Å; L24-K337 HydrophobicContact CD1-CG 3.89Å; T27-K337 HydrophobicContact CG2-CG 4.17Å; T27-K337 PolarHBondContact OG1-NZ 3.15Å; T27-K337 VanDerWaalsContact OG1-NZ 3.11Å; G308-K337 WeakPolarHBondContact O-CE 3.47Å; G308-K337 PolarHBondContact O-NZ 3.45Å; A326-K337 CarbonylContact C-O 3.58Å; A326-K337 WeakPolarHBondContact CA-O 3.44Å; S327-K337 PolarHBondContact N-O 3.5Å; S327-K337 PolarHBondContact O-N 2.92Å; K337-W339 HydrophobicContact CB-CZ2 3.72Å; K337-W339 HydrophobicContact CD-CH2 3.99Å; K337-W339 HydrophobicContact CD-CZ2 3.73Å; K337-W339 HydrophobicContact CG-CZ2 4.35Å
338	A	98.5	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.4	168.1	0	0	0	0	0	110.1	K25 F26 I324 I325	K25-A338 WeakPolarHBondContact CB-O 3.27Å; K25-A338 PolarHBondContact N-O 3.09Å; F26-A338 HydrophobicContact CD1-CB 4.05Å; F26-A338 HydrophobicContact CD2-CB 3.62Å; F26-A338 HydrophobicContact CE1-CB 3.62Å; F26-A338 HydrophobicContact CE2-CB 3.18Å; F26-A338 HydrophobicContact CG-CB 4.04Å; F26-A338 HydrophobicContact CZ-CB 3.17Å; F26-A338 PolarHBondContact N-O 2.96Å; F26-A338 PolarHBondContact O-N 3.43Å; I324-A338 HydrophobicContact CG2-CB 4.35Å; I325-A338 CarbonylContact O-C 3.55Å; I325-A338 VanDerWaalsContact O-CA 3.3Å; I325-A338 WeakPolarHBondContact O-CA 3.29Å
339	W	98.4	Very high	96.3	Very high	8 Å²	8	42.7 Å²	42.7	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.2	-177.2	-42.3	85.5	0	0	0	108.3	Y22 T23 L24 L306 G307 I324 I325 S327 K337	Y22-W339 HydrophobicContact CD1-CB 3.99Å; Y22-W339 WeakPolarHBondContact CD1-O 3.46Å; Y22-W339 HydrophobicContact CG-CB 4.48Å; T23-W339 CarbonylContact O-C 3.54Å; T23-W339 WeakPolarHBondContact O-CA 3.44Å; L24-W339 HydrophobicContact CB-CE3 4.02Å; L24-W339 HydrophobicContact CB-CZ3 3.94Å; L24-W339 HydrophobicContact CD1-CD2 4.41Å; L24-W339 HydrophobicContact CD1-CE3 4.17Å; L24-W339 HydrophobicContact CD1-CH2 4.26Å; L24-W339 HydrophobicContact CD1-CZ2 4.5Å; L24-W339 HydrophobicContact CD1-CZ3 4.09Å; L306-W339 HydrophobicContact CB-CD2 4.09Å; L306-W339 HydrophobicContact CB-CE3 3.83Å; L306-W339 HydrophobicContact CB-CH2 3.99Å; L306-W339 HydrophobicContact CB-CZ2 4.22Å; L306-W339 HydrophobicContact CB-CZ3 3.78Å; L306-W339 HydrophobicContact CD1-CB 3.84Å; L306-W339 HydrophobicContact CD1-CD2 3.6Å; L306-W339 HydrophobicContact CD1-CE3 3.91Å; L306-W339 HydrophobicContact CD1-CG 3.55Å; L306-W339 HydrophobicContact CG-CD2 4.44Å; L306-W339 HydrophobicContact CG-CE3 4.36Å; G307-W339 VanDerWaalsContact O-CH2 3.25Å; G307-W339 WeakPolarHBondContact O-CH2 3Å; I324-W339 CarbonylContact C-O 3.5Å; I324-W339 WeakPolarHBondContact CA-O 3.49Å; I325-W339 HydrophobicContact CB-CB 4.4Å; I325-W339 PolarHBondContact N-O 3.09Å; I325-W339 VanDerWaalsContact O-CD1 3.26Å; I325-W339 PolarHBondContact O-N 3.46Å; S327-W339 PolarHBondContact OG-NE1 3.27Å; K337-W339 HydrophobicContact CB-CZ2 3.72Å; K337-W339 HydrophobicContact CD-CH2 3.99Å; K337-W339 HydrophobicContact CD-CZ2 3.73Å; K337-W339 HydrophobicContact CG-CZ2 4.35Å
340	I	97.5	Very high	96.1	Very high	56 Å²	56	45.7 Å²	45.7	29%	0.287	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138	179.7	-168.1	165.8	0	0	0	110.9	Y22 T23 K25 N323 I324	Y22-I340 CarbonylContact C-O 3.53Å; Y22-I340 VanDerWaalsContact CA-O 3.31Å; Y22-I340 WeakPolarHBondContact CA-O 3.18Å; T23-I340 PolarHBondContact N-O 2.86Å; T23-I340 PolarHBondContact O-N 3.34Å; T23-I340 PolarHBondContact OG1-O 3.17Å; K25-I340 HydrophobicContact CB-CB 4.2Å; K25-I340 HydrophobicContact CB-CG2 3.83Å; K25-I340 HydrophobicContact CD-CB 4.09Å; K25-I340 HydrophobicContact CD-CD1 4.03Å; K25-I340 HydrophobicContact CD-CG2 4.11Å; K25-I340 HydrophobicContact CG-CG2 4.14Å; N323-I340 WeakPolarHBondContact O-CA 3.47Å; I324-I340 HydrophobicContact CD1-CD1 4.43Å; I324-I340 HydrophobicContact CG1-CB 4.38Å; I324-I340 HydrophobicContact CG1-CD1 4.23Å; I324-I340 HydrophobicContact CG1-CG1 4.05Å
341	S	95.9	Very high	95.9	Very high	7 Å²	7	47.7 Å²	47.7	5%	0.049	24%	0.235	C	C	.	.			trans	-115.8	140.1	175.2	170	0	0	0	0	109.6	N21 N323 Y343	N21-S341 PolarHBondContact N-OG 3.26Å; N21-S341 PolarHBondContact OD1-OG 2.92Å; N21-S341 VanDerWaalsContact OD1-OG 3.06Å; N323-S341 VanDerWaalsContact CB-O 3.3Å; N323-S341 WeakPolarHBondContact CB-O 3.27Å; N323-S341 PolarHBondContact O-N 3Å; S341-Y343 VanDerWaalsContact OG-CB 3.3Å; S341-Y343 WeakPolarHBondContact OG-CB 3.09Å; S341-Y343 PolarHBondContact OG-N 2.95Å
342	N	90.1	Very high	95.8	Very high	114 Å²	114	45.3 Å²	45.3	61%	0.61	23%	0.225	S	C	*	.			trans	-98.4	12	175.1	77	-1.7	0	0	0	113	N21	N21-N342 VanDerWaalsContact CG-OD1 3.29Å; N21-N342 PolarHBondContact ND2-OD1 2.89Å; N21-N342 PolarHBondContact OD1-N 3.11Å; N21-N342 PolarHBondContact OD1-OD1 3.02Å; N21-N342 VanDerWaalsContact OD1-OD1 3.06Å
343	Y	77.8	Confident	95.6	Very high	92 Å²	92	37.4 Å²	37.4	36%	0.361	18%	0.181	S	C	.	.			trans	-45.1	0	167	-167.5	-74.6	0	0	0	111.4	R18 N21 A279 W282 N323 S341	R18-Y343 HydrophobicContact CB-CD2 4.37Å; R18-Y343 HydrophobicContact CB-CE2 3.53Å; R18-Y343 HydrophobicContact CG-CD2 4.03Å; R18-Y343 HydrophobicContact CG-CE2 3.69Å; R18-Y343 VanDerWaalsContact O-CE2 3.23Å; R18-Y343 WeakPolarHBondContact O-CE2 3.17Å; N21-Y343 PolarHBondContact OD1-N 2.78Å; A279-Y343 HydrophobicContact CB-CD1 3.38Å; A279-Y343 HydrophobicContact CB-CE1 4.11Å; A279-Y343 HydrophobicContact CB-CG 4.03Å; W282-Y343 HydrophobicContact CZ2-CE2 4.2Å; N323-Y343 PolarHBondContact ND2-OXT 2.97Å; S341-Y343 VanDerWaalsContact OG-CB 3.3Å; S341-Y343 WeakPolarHBondContact OG-CB 3.09Å; S341-Y343 PolarHBondContact OG-N 2.95Å

Retrieved 343 of 343 residues in 100.7 ms (Link to these results)

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