A0A087XX71_POEFO Loading...

Neutral alpha-glucosidase AB

AlphaFold DB , UniProt , Accession A0A087XX71, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 950 aa.

						>A0A087XX71_POEFO|A0A087XX71
MATFTERMGPVLLLWLAVCLSGSWAVDKGNFKTCDQSAFCKRQRAMKPGESPYRALLETMELTNTRLTLQLINDNNKVRLLLELYRLQGNITRVKINELKPLKPRYEVPDVLIREPPTEPLSLLSQDENGVVLSLGAESQRVIVSARPFRLDIVEGRDVLMSLNSRGLLGFEHLRMRKDTFSYKVTSTVASVWDNIKRVFSSQADPEAENKEGTDPANPAETAKEEEEKVEDGMWEETFKSHTDSKPSGPSAVSLDFSLPGVEHVYGIPEHADTLKLKTTDSGDPYRLYNLDVFQYELYNPMALYGAVPVMLSHNAQRTMGIFWLNAAETWVDISSNTAGKTVFGKMLDYVQGSSETPQTDVRWISESGIIDVFLMLGPTPRDVFSQYASLTGTQAFPPLASLGYHQCRWNYNDQEDVRSVDAGFDEHDIPYDFIWLDIEHTDGKRYFTWDPHKFASPKEMLQGLLDKKRKMVAIVDPHIKVDTNYKIHNEIRSRGFYVKNKDGGDYEGWCWPGSAGYPDFTRPDMRAWWASQFAYDQYEGATENLYTWNDMNEPSVFNGPEVTMHKDAMHESWEHRDVHNLYGLYVHRATAEGLVERSGGVERPFVLTRAFFAGSQRYGAVWTGDNAAEWDHLKISIPMCLSLGLVGISFCGADVGGFFKSPSTELLVRWYQTGAYQPFFRAHAHLDTPRREPWLFGPENTALIREVIRQRYTFLPYWYQLFYLAYHTGEPVMRPLWVEYPQDPATFALDDEFLLGRDLLVHPVTEEGARGVTAYLPGKHEVWFDIHTFQKHNGGQNLYIPVTMSSIPVFQRGGSIIPRKLRVRRSSTCMEHDPYTLYVALDNQRTAEGELYIDDGHTFNYEKKELIHRKFSFANGVLSSVDLEPNAQFTTKSWVERIIILGASKPSMVTLKTADGENQLEFDFDASMSVLTIRKPGMNAGADWTVTLQ
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.3	Very low	44.2	Very low	238 Å²	238	129.5 Å²	129.5	100%	1.172	69%	0.689	S	S	*	*				0	45.2	0	-71.5	-175.5	-177.1	0	0	111.5
2	A	40.1	Very low	44.3	Very low	74 Å²	74	126.9 Å²	126.9	61%	0.612	68%	0.675	S	S	*	*			trans	-133.5	6.5	179.1	0	0	0	0	0	112.9
3	T	43.4	Very low	44.4	Very low	127 Å²	127	126.7 Å²	126.7	78%	0.779	67%	0.673	S	S	*	*	S	Bend	trans	-122.9	4.6	-174.2	43.2	0	0	0	0	113.6
4	F	37.7	Very low	44.5	Very low	170 Å²	170	126.4 Å²	126.4	75%	0.746	67%	0.671	S	S	*	*	S	Bend	trans	-101.4	-18.7	174.9	-145.4	-95.9	0	0	0	112.7
5	T	42.7	Very low	44.5	Very low	113 Å²	113	130 Å²	130	69%	0.693	67%	0.672	S	S	*	*	S	Bend	trans	-88.1	-17.1	-176.7	22.4	0	0	0	0	114.4
6	E	44.7	Very low	44.4	Very low	162 Å²	162	127.4 Å²	127.4	76%	0.757	66%	0.659	S	S	*	*	S	Bend	trans	-88.5	-12.4	-177.8	-78.1	-174.8	155.7	0	0	114.9
7	R	48.2	Very low	44.2	Very low	224 Å²	224	123.2 Å²	123.2	85%	0.845	65%	0.648	S	S	*	*	S	Bend	trans	-100	-7.5	-178.7	-79.2	-172.6	175.4	-170.1	-1.2	115.5
8	M	42.7	Very low	44	Very low	107 Å²	107	121.9 Å²	121.9	53%	0.527	65%	0.645	S	S	.	*	S	Bend	trans	-101.4	-12.9	178.1	-73.5	-172.9	67.7	0	0	114.1	V11 L12	M8-V11 PolarHBondContact O-N 2.89Å; M8-L12 HydrophobicContact CE-CD1 4.33Å; M8-L12 PolarHBondContact O-N 3.43Å
9	G	41.9	Very low	43.6	Very low	35 Å²	35	120.4 Å²	120.4	36%	0.361	64%	0.644	S	S	.	*	H	α-helix	trans	-57.3	-46.7	179.5	0	0	0	0	0	114.6	V11 L13	G9-V11 PolarHBondContact O-N 3.15Å; G9-L13 WeakPolarHBondContact O-CB 3.25Å; G9-L13 PolarHBondContact O-N 2.97Å; G9-L13 VanDerWaalsContact O-N 3.09Å
10	P	49.1	Very low	43.2	Very low	86 Å²	86	121.5 Å²	121.5	56%	0.558	65%	0.649	S	S	*	*	H	α-helix	trans	-70.3	-31.8	-179.3	-18.1	30.8	0	0	0	113.3	L14	P10-L14 WeakPolarHBondContact O-CB 3.19Å; P10-L14 PolarHBondContact O-N 2.75Å
11	V	50.9	Low	42.8	Very low	88 Å²	88	119.3 Å²	119.3	53%	0.533	64%	0.644	S	S	.	*	H	α-helix	trans	-77.2	-35.9	-179.5	179.9	0	0	0	0	111.1	M8 G9 L14 W15	M8-V11 PolarHBondContact O-N 2.89Å; G9-V11 PolarHBondContact O-N 3.15Å; V11-L14 PolarHBondContact O-N 2.77Å; V11-W15 WeakPolarHBondContact O-CB 3.48Å; V11-W15 PolarHBondContact O-N 3.01Å
12	L	46	Very low	42.4	Very low	99 Å²	99	110.3 Å²	110.3	52%	0.518	61%	0.611	S	S	.	*	H	α-helix	trans	-70.5	-35.5	173.7	-127.9	91.3	0	0	0	112.1	M8 W15 L16	M8-L12 HydrophobicContact CE-CD1 4.33Å; M8-L12 PolarHBondContact O-N 3.43Å; L12-W15 PolarHBondContact O-N 2.99Å; L12-L16 WeakPolarHBondContact O-CB 3.24Å; L12-L16 PolarHBondContact O-N 3.27Å
13	L	45.9	Very low	42.3	Very low	124 Å²	124	111.9 Å²	111.9	65%	0.649	62%	0.618	S	S	*	*	H	α-helix	trans	-71.3	-33.4	173.9	-87.8	155.9	0	0	0	112.5	G9 A17	G9-L13 WeakPolarHBondContact O-CB 3.25Å; G9-L13 PolarHBondContact O-N 2.97Å; G9-L13 VanDerWaalsContact O-N 3.09Å; L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 3.37Å
14	L	45.7	Very low	42.2	Very low	122 Å²	122	115.9 Å²	115.9	64%	0.639	62%	0.619	S	S	*	*	H	α-helix	trans	-69.7	-38.8	171.4	-134.8	90	0	0	0	111.5	P10 V11 A17 V18	P10-L14 WeakPolarHBondContact O-CB 3.19Å; P10-L14 PolarHBondContact O-N 2.75Å; V11-L14 PolarHBondContact O-N 2.77Å; L14-A17 PolarHBondContact O-N 2.93Å; L14-V18 WeakPolarHBondContact O-CB 3.41Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 2.79Å
15	W	44.3	Very low	43.3	Very low	181 Å²	181	110.2 Å²	110.2	69%	0.686	60%	0.604	S	S	*	*	H	α-helix	trans	-68.4	-40	173.6	-96.2	76	0	0	0	112.4	V11 L12 V18 C19	V11-W15 WeakPolarHBondContact O-CB 3.48Å; V11-W15 PolarHBondContact O-N 3.01Å; L12-W15 PolarHBondContact O-N 2.99Å; W15-V18 PolarHBondContact O-N 2.85Å; W15-C19 VanDerWaalsContact O-CB 3.23Å; W15-C19 WeakPolarHBondContact O-CB 3.25Å; W15-C19 PolarHBondContact O-N 2.82Å; W15-C19 PolarHBondContact O-SG 2.86Å
16	L	43.3	Very low	45.2	Very low	88 Å²	88	105.2 Å²	105.2	46%	0.461	57%	0.573	S	S	.	*	H	α-helix	trans	-67.4	-34.8	172.1	-95.4	140.9	0	0	0	111.9	L12 C19 L20	L12-L16 WeakPolarHBondContact O-CB 3.24Å; L12-L16 PolarHBondContact O-N 3.27Å; L16-C19 CarbonylContact O-C 3.57Å; L16-C19 PolarHBondContact O-N 2.8Å; L16-L20 HydrophobicContact CB-CD1 4.44Å; L16-L20 HydrophobicContact CD2-CD1 3.96Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.25Å; L16-L20 WeakPolarHBondContact O-CG 3.44Å; L16-L20 PolarHBondContact O-N 2.78Å
17	A	39.7	Very low	47.3	Very low	57 Å²	57	101.4 Å²	101.4	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-72	-32.6	174.2	0	0	0	0	0	113	L13 L14 S21	L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 3.37Å; L14-A17 PolarHBondContact O-N 2.93Å; A17-S21 WeakPolarHBondContact O-CB 3.25Å; A17-S21 PolarHBondContact O-N 2.98Å; A17-S21 PolarHBondContact O-OG 2.95Å
18	V	40.8	Very low	49.2	Very low	99 Å²	99	95.6 Å²	95.6	60%	0.6	54%	0.539	S	S	*	.	H	α-helix	trans	-77.6	-26.9	172.9	172.4	0	0	0	0	111.7	L14 W15	L14-V18 WeakPolarHBondContact O-CB 3.41Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 2.79Å; W15-V18 PolarHBondContact O-N 2.85Å
19	C	37.2	Very low	51.5	Low	93 Å²	93	92.2 Å²	92.2	63%	0.628	53%	0.531	S	S	*	.	H	α-helix	trans	-88.1	-11.9	172	-65.9	0	0	0	0	113.7	W15 L16	W15-C19 VanDerWaalsContact O-CB 3.23Å; W15-C19 WeakPolarHBondContact O-CB 3.25Å; W15-C19 PolarHBondContact O-N 2.82Å; W15-C19 PolarHBondContact O-SG 2.86Å; L16-C19 CarbonylContact O-C 3.57Å; L16-C19 PolarHBondContact O-N 2.8Å
20	L	36.1	Very low	54	Low	142 Å²	142	93.2 Å²	93.2	74%	0.743	53%	0.528	S	S	*	.	S	Bend	trans	-105.2	9.4	173.6	-71.1	163.6	0	0	0	112.6	L16	L16-L20 HydrophobicContact CB-CD1 4.44Å; L16-L20 HydrophobicContact CD2-CD1 3.96Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.25Å; L16-L20 WeakPolarHBondContact O-CG 3.44Å; L16-L20 PolarHBondContact O-N 2.78Å
21	S	34.7	Very low	56.4	Low	77 Å²	77	89.7 Å²	89.7	54%	0.538	50%	0.504	S	S	.	.	S	Bend	trans	-119.7	114.7	169.3	48	0	0	0	0	110.1	A17	A17-S21 WeakPolarHBondContact O-CB 3.25Å; A17-S21 PolarHBondContact O-N 2.98Å; A17-S21 PolarHBondContact O-OG 2.95Å
22	G	34.3	Very low	58.6	Low	48 Å²	48	86.4 Å²	86.4	50%	0.495	48%	0.483	S	S	.	.			trans	99.5	79.9	170.7	0	0	0	0	0	114.1	W24	G22-W24 VanDerWaalsContact O-CD1 3.25Å; G22-W24 PolarHBondContact O-N 2.88Å
23	S	37.9	Very low	61.1	Low	108 Å²	108	84.1 Å²	84.1	76%	0.755	47%	0.473	S	S	*	.			trans	-51.3	105.2	130.1	12.6	0	0	0	0	105.3	A25	S23-A25 PolarHBondContact O-N 3.04Å
24	W	41.9	Very low	63.5	Low	210 Å²	210	78.2 Å²	78.2	80%	0.795	44%	0.442	S	S	*	.			trans	-63.8	102.5	-176.5	-72.4	78.4	0	0	0	107.1	G22 Q295	G22-W24 VanDerWaalsContact O-CD1 3.25Å; G22-W24 PolarHBondContact O-N 2.88Å; W24-Q295 PolarHBondContact O-OE1 2.77Å
25	A	61.5	Low	65.9	Low	51 Å²	51	77.5 Å²	77.5	42%	0.421	44%	0.439	S	S	.	.			trans	-64.7	172.7	164.2	0	0	0	0	0	109.1	S23 D27 E297	S23-A25 PolarHBondContact O-N 3.04Å; A25-D27 PolarHBondContact O-N 2.76Å; A25-E297 HydrophobicContact CB-CG 4.33Å; A25-E297 WeakPolarHBondContact CB-OE1 3.39Å
26	V	81.6	Confident	68.4	Low	9 Å²	9	73.1 Å²	73.1	6%	0.055	43%	0.426	C	S	.	.			trans	-41	126	172.6	67.9	0	0	0	0	111.2	K28 F31 V293 Q295 E297 M302	V26-K28 VanDerWaalsContact C-N 3.29Å; V26-K28 HydrophobicContact CG1-CG 3.85Å; V26-K28 PolarHBondContact O-N 3.12Å; V26-F31 HydrophobicContact CG2-CD2 4.16Å; V26-F31 HydrophobicContact CG2-CE2 3.76Å; V26-V293 HydrophobicContact CG2-CG1 3.56Å; V26-Q295 PolarHBondContact N-O 2.85Å; V26-E297 HydrophobicContact CG1-CB 4.03Å; V26-E297 HydrophobicContact CG1-CG 3.57Å; V26-M302 HydrophobicContact CG2-CE 4.16Å
27	D	88.6	Confident	71	Confident	82 Å²	82	69 Å²	69	44%	0.439	40%	0.404	S	S	.	.			trans	-76	88	171.5	177.1	8.7	0	0	0	108.4	A25 G29 N30	A25-D27 PolarHBondContact O-N 2.76Å; D27-G29 PolarHBondContact O-N 2.62Å; D27-G29 WeakPolarHBondContact OD1-CA 3.44Å; D27-G29 PolarHBondContact OD1-N 2.83Å; D27-N30 WeakPolarHBondContact CB-ND2 3.25Å; D27-N30 WeakPolarHBondContact O-CB 3.38Å; D27-N30 PolarHBondContact O-N 2.83Å; D27-N30 PolarHBondContact OD2-ND2 3.1Å
28	K	88.7	Confident	73.7	Confident	102 Å²	102	66.8 Å²	66.8	44%	0.443	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-54.5	-23.7	177.5	-64.2	-173	-178.7	176	0	112.7	V26 N30 F31 E297 M302	V26-K28 VanDerWaalsContact C-N 3.29Å; V26-K28 HydrophobicContact CG1-CG 3.85Å; V26-K28 PolarHBondContact O-N 3.12Å; K28-N30 PolarHBondContact O-N 3.34Å; K28-F31 PolarHBondContact O-N 3.24Å; K28-F31 VanDerWaalsContact O-N 3.11Å; K28-E297 VanDerWaalsContact CE-CD 3.49Å; K28-E297 WeakPolarHBondContact CE-OE2 3.47Å; K28-E297 IonicContact NZ-OE1 2.84Å; K28-E297 IonicContact NZ-OE2 2.67Å; K28-E297 PolarHBondContact NZ-OE2 2.65Å; K28-M302 HydrophobicContact CD-SD 4.28Å; K28-M302 HydrophobicContact CG-CE 4.48Å; K28-M302 HydrophobicContact CG-SD 4.07Å
29	G	91.7	Very high	76.4	Confident	36 Å²	36	62.3 Å²	62.3	37%	0.371	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-62.4	-21.6	175.1	0	0	0	0	0	113.1	D27 F31 K240	D27-G29 PolarHBondContact O-N 2.62Å; D27-G29 WeakPolarHBondContact OD1-CA 3.44Å; D27-G29 PolarHBondContact OD1-N 2.83Å; G29-F31 VanDerWaalsContact C-N 3.33Å; G29-K240 WeakPolarHBondContact O-CE 3.34Å; G29-K240 PolarHBondContact O-NZ 2.84Å; G29-K240 VanDerWaalsContact O-NZ 3.1Å
30	N	94.8	Very high	79.3	Confident	55 Å²	55	57.9 Å²	57.9	29%	0.294	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-76.5	-14.3	175.4	-70.6	-37.6	0	0	0	114.3	D27 K28 F239 K240 E562	D27-N30 WeakPolarHBondContact CB-ND2 3.25Å; D27-N30 WeakPolarHBondContact O-CB 3.38Å; D27-N30 PolarHBondContact O-N 2.83Å; D27-N30 PolarHBondContact OD2-ND2 3.1Å; K28-N30 PolarHBondContact O-N 3.34Å; N30-F239 WeakPolarHBondContact O-CE1 3.49Å; N30-K240 PolarHBondContact OD1-NZ 2.84Å; N30-E562 WeakPolarHBondContact O-CA 3.31Å
31	F	97.7	Very high	82.2	Confident	13 Å²	13	56.4 Å²	56.4	6%	0.057	32%	0.317	C	S	.	.	S	Bend	trans	-123.2	136.4	-173.1	-55	-72.1	0	0	0	110.1	V26 K28 G29 T33 L291 V293 M302 E562	V26-F31 HydrophobicContact CG2-CD2 4.16Å; V26-F31 HydrophobicContact CG2-CE2 3.76Å; K28-F31 PolarHBondContact O-N 3.24Å; K28-F31 VanDerWaalsContact O-N 3.11Å; G29-F31 VanDerWaalsContact C-N 3.33Å; F31-T33 PolarHBondContact O-N 2.89Å; F31-L291 HydrophobicContact CD1-CD1 3.89Å; F31-L291 HydrophobicContact CE1-CD1 4.39Å; F31-V293 HydrophobicContact CE1-CG2 4.06Å; F31-V293 HydrophobicContact CE2-CG1 3.97Å; F31-V293 HydrophobicContact CZ-CB 4.26Å; F31-V293 HydrophobicContact CZ-CG1 4.12Å; F31-V293 HydrophobicContact CZ-CG2 4.04Å; F31-M302 HydrophobicContact CB-CE 4.04Å; F31-M302 HydrophobicContact CD2-CE 3.69Å; F31-M302 HydrophobicContact CE2-CE 4.49Å; F31-M302 HydrophobicContact CG-CE 4.05Å; F31-E562 HydrophobicContact CD1-CB 4.16Å
32	K	97.9	Very high	85.1	Confident	18 Å²	18	55 Å²	55	8%	0.078	30%	0.3	C	S	.	.			trans	-69.5	131.9	-178.4	-67.6	179.8	-175.3	-166.9	0	110.8	Q36 E237 F239 R287 E562	K32-Q36 HydrophobicContact CB-CB 4.13Å; K32-Q36 HydrophobicContact CG-CB 4.23Å; K32-E237 IonicContact NZ-OE1 3.33Å; K32-E237 PolarHBondContact NZ-OE1 3.07Å; K32-F239 HydrophobicContact CD-CD2 4.35Å; K32-F239 HydrophobicContact CD-CG 4.4Å; K32-F239 HydrophobicContact CG-CD1 4.31Å; K32-F239 HydrophobicContact CG-CD2 3.68Å; K32-F239 HydrophobicContact CG-CE1 4.25Å; K32-F239 HydrophobicContact CG-CE2 3.61Å; K32-F239 HydrophobicContact CG-CG 4.03Å; K32-F239 HydrophobicContact CG-CZ 3.91Å; K32-R287 PolarHBondContact O-NH1 3.32Å; K32-E562 WeakPolarHBondContact CD-OE1 3.32Å; K32-E562 HydrophobicContact CG-CG 4.47Å; K32-E562 PolarHBondContact N-OE2 2.66Å
33	T	98.1	Very high	88.1	Confident	52 Å²	52	53 Å²	53	32%	0.319	28%	0.277	S	S	.	.			trans	-72.6	167.4	155.1	57.4	0	0	0	0	110.4	F31 D35 Q36 S37 D284	F31-T33 PolarHBondContact O-N 2.89Å; T33-D35 PolarHBondContact O-N 3.29Å; T33-Q36 PolarHBondContact O-N 3.35Å; T33-Q36 WeakPolarHBondContact OG1-CG 3.47Å; T33-Q36 PolarHBondContact OG1-OE1 3.2Å; T33-S37 PolarHBondContact O-N 2.99Å; T33-S37 VanDerWaalsContact O-N 3.16Å; T33-D284 VanDerWaalsContact CA-OD2 3.31Å; T33-D284 WeakPolarHBondContact CA-OD2 3.23Å; T33-D284 WeakPolarHBondContact CB-OD2 3.36Å; T33-D284 WeakPolarHBondContact CG2-OD2 3.35Å
34	C	96.6	Very high	90.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.6	-36.2	177.3	176.5	0	0	0	0	112	Q36 S37 C40 K41 R44 D284 P285 W331	C34-Q36 PolarHBondContact O-N 2.92Å; C34-S37 PolarHBondContact O-N 2.94Å; C34-S37 VanDerWaalsContact O-N 3.16Å; C34-C40 HydrophobicContact CB-CB 4.05Å; C34-C40 WeakPolarHBondContact CB-SG 3.47Å; C34-C40 VanDerWaalsContact SG-C 3.51Å; C34-C40 WeakPolarHBondContact SG-CB 3.36Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 2.83Å; C34-K41 PolarHBondContact O-N 2.76Å; C34-R44 VanDerWaalsContact SG-CD 3.55Å; C34-D284 VanDerWaalsContact CB-OD1 3.31Å; C34-D284 WeakPolarHBondContact CB-OD1 3.23Å; C34-D284 PolarHBondContact N-OD1 2.99Å; C34-D284 VanDerWaalsContact N-OD1 3.1Å; C34-P285 HydrophobicContact CB-CG 4.28Å; C34-W331 HydrophobicContact CB-CE3 4.19Å; C34-W331 HydrophobicContact CB-CH2 4.2Å; C34-W331 HydrophobicContact CB-CZ3 4.01Å
35	D	96.3	Very high	93.3	Very high	107 Å²	107	44.6 Å²	44.6	57%	0.572	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-68.8	-21.4	178.4	-82.4	-20.2	0	0	0	113.8	T33	T33-D35 PolarHBondContact O-N 3.29Å
36	Q	96.7	Very high	94.8	Very high	89 Å²	89	45 Å²	45	42%	0.416	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-92	-12.3	175.1	-69	168.3	-50.9	0	0	112.8	K32 T33 C34	K32-Q36 HydrophobicContact CB-CB 4.13Å; K32-Q36 HydrophobicContact CG-CB 4.23Å; T33-Q36 PolarHBondContact O-N 3.35Å; T33-Q36 WeakPolarHBondContact OG1-CG 3.47Å; T33-Q36 PolarHBondContact OG1-OE1 3.2Å; C34-Q36 PolarHBondContact O-N 2.92Å
37	S	97.1	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-94.9	107.4	171.6	179.4	0	0	0	0	109.1	T33 C34 F39 C40 K41	T33-S37 PolarHBondContact O-N 2.99Å; T33-S37 VanDerWaalsContact O-N 3.16Å; C34-S37 PolarHBondContact O-N 2.94Å; C34-S37 VanDerWaalsContact O-N 3.16Å; S37-F39 VanDerWaalsContact C-N 3.26Å; S37-F39 PolarHBondContact O-N 2.82Å; S37-F39 VanDerWaalsContact O-N 3.15Å; S37-F39 VanDerWaalsContact OG-CD1 3.26Å; S37-F39 WeakPolarHBondContact OG-CD1 3.46Å; S37-F39 WeakPolarHBondContact OG-CE1 3.38Å; S37-C40 PolarHBondContact O-N 3.05Å; S37-K41 PolarHBondContact O-N 2.94Å
38	A	96.5	Very high	95.3	Very high	12 Å²	12	52.8 Å²	52.8	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-37.5	-167.4	0	0	0	0	0	113.1	R42 G233 E237	A38-R42 VanDerWaalsContact C-NH1 3.34Å; A38-R42 VanDerWaalsContact O-CG 3.31Å; A38-R42 WeakPolarHBondContact O-CG 3.38Å; A38-R42 PolarHBondContact O-N 2.84Å; A38-R42 PolarHBondContact O-NH1 2.79Å; A38-G233 WeakPolarHBondContact CB-O 3.21Å; A38-E237 WeakPolarHBondContact CB-OE2 3.27Å
39	F	97.9	Very high	95.4	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.022	28%	0.277	C	S	.	.	H	α-helix	trans	-70.6	-40.1	177.3	82.9	-88.6	0	0	0	112.4	S37 R42 Q43 A252 E329 W331 I365 E367	S37-F39 VanDerWaalsContact C-N 3.26Å; S37-F39 PolarHBondContact O-N 2.82Å; S37-F39 VanDerWaalsContact O-N 3.15Å; S37-F39 VanDerWaalsContact OG-CD1 3.26Å; S37-F39 WeakPolarHBondContact OG-CD1 3.46Å; S37-F39 WeakPolarHBondContact OG-CE1 3.38Å; F39-R42 PolarHBondContact O-N 3.28Å; F39-Q43 WeakPolarHBondContact O-CB 3.5Å; F39-Q43 WeakPolarHBondContact O-CG 3.29Å; F39-Q43 PolarHBondContact O-N 2.99Å; F39-A252 HydrophobicContact CB-CB 3.86Å; F39-A252 HydrophobicContact CD2-CB 3.88Å; F39-A252 HydrophobicContact CG-CB 4.25Å; F39-E329 HydrophobicContact CE1-CB 4.22Å; F39-E329 HydrophobicContact CE1-CG 4.1Å; F39-E329 HydrophobicContact CZ-CB 4Å; F39-E329 HydrophobicContact CZ-CG 3.82Å; F39-E329 WeakPolarHBondContact CZ-O 3.35Å; F39-W331 AromaticContact CE2-CD1 3.7Å; F39-W331 AromaticContact CZ-CD1 3.42Å; F39-W331 VanDerWaalsContact CZ-CD1 3.42Å; F39-W331 AromaticContact CZ-NE1 3.51Å; F39-I365 HydrophobicContact CD2-CG2 3.98Å; F39-I365 HydrophobicContact CE2-CG2 3.98Å; F39-E367 HydrophobicContact CD1-CB 3.85Å; F39-E367 HydrophobicContact CD1-CG 3.69Å; F39-E367 HydrophobicContact CD2-CB 4.19Å; F39-E367 HydrophobicContact CE1-CB 3.63Å; F39-E367 HydrophobicContact CE1-CG 3.88Å; F39-E367 HydrophobicContact CE2-CB 4Å; F39-E367 HydrophobicContact CG-CB 4.12Å; F39-E367 HydrophobicContact CG-CG 4.1Å; F39-E367 HydrophobicContact CZ-CB 3.71Å; F39-E367 HydrophobicContact CZ-CG 4.45Å
40	C	98	Very high	95	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-49.8	175.8	-170.7	0	0	0	0	110.1	C34 S37 R42 Q43 R44 W331	C34-C40 HydrophobicContact CB-CB 4.05Å; C34-C40 WeakPolarHBondContact CB-SG 3.47Å; C34-C40 VanDerWaalsContact SG-C 3.51Å; C34-C40 WeakPolarHBondContact SG-CB 3.36Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 2.83Å; S37-C40 PolarHBondContact O-N 3.05Å; C40-R42 PolarHBondContact O-N 2.86Å; C40-Q43 PolarHBondContact O-N 3.06Å; C40-R44 WeakPolarHBondContact O-CB 3.26Å; C40-R44 PolarHBondContact O-N 2.75Å; C40-W331 HydrophobicContact CB-CD2 4.21Å; C40-W331 HydrophobicContact CB-CG 4.07Å
41	K	97.1	Very high	95	Very high	111 Å²	111	53.3 Å²	53.3	48%	0.483	28%	0.281	S	S	.	.	H	α-helix	trans	-53.5	-49.7	175.4	-173.4	-177.8	-173	171.6	0	112.9	C34 S37 A45	C34-K41 PolarHBondContact O-N 2.76Å; S37-K41 PolarHBondContact O-N 2.94Å; K41-A45 WeakPolarHBondContact O-CB 3.28Å; K41-A45 PolarHBondContact O-N 2.83Å
42	R	96.1	Very high	94.8	Very high	47 Å²	47	54.1 Å²	54.1	18%	0.177	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-46.9	179	-75.2	-169.4	-49	-85.8	0.2	111.8	A38 F39 C40 A45 E172 G233 M234	A38-R42 VanDerWaalsContact C-NH1 3.34Å; A38-R42 VanDerWaalsContact O-CG 3.31Å; A38-R42 WeakPolarHBondContact O-CG 3.38Å; A38-R42 PolarHBondContact O-N 2.84Å; A38-R42 PolarHBondContact O-NH1 2.79Å; F39-R42 PolarHBondContact O-N 3.28Å; C40-R42 PolarHBondContact O-N 2.86Å; R42-A45 PolarHBondContact O-N 2.83Å; R42-E172 IonicContact CZ-OE1 2.74Å; R42-E172 IonicContact CZ-OE2 3.9Å; R42-E172 IonicContact NE-OE1 3.91Å; R42-E172 PolarHBondContact NE-OE1 2.91Å; R42-E172 IonicContact NE-OE2 2.62Å; R42-E172 IonicContact NH2-OE1 3.72Å; R42-E172 PolarHBondContact NH2-OE1 3.38Å; R42-E172 IonicContact NH2-OE2 2.65Å; R42-E172 PolarHBondContact NH2-OE2 3.22Å; R42-G233 PolarHBondContact NH1-O 3.38Å; R42-M234 VanDerWaalsContact CD-SD 3.53Å
43	Q	96.9	Very high	94.8	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.023	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-42.6	-177.6	-65.7	-67.6	-39.3	0	0	110.8	F39 C40 A45 M46 E172 A252 S254 R363 I365	F39-Q43 WeakPolarHBondContact O-CB 3.5Å; F39-Q43 WeakPolarHBondContact O-CG 3.29Å; F39-Q43 PolarHBondContact O-N 2.99Å; C40-Q43 PolarHBondContact O-N 3.06Å; Q43-A45 VanDerWaalsContact C-N 3.3Å; Q43-A45 PolarHBondContact O-N 3.11Å; Q43-M46 VanDerWaalsContact O-CB 3.25Å; Q43-M46 WeakPolarHBondContact O-CB 3.35Å; Q43-M46 WeakPolarHBondContact O-CG 3.46Å; Q43-M46 PolarHBondContact O-N 2.87Å; Q43-M46 VanDerWaalsContact O-N 3.12Å; Q43-E172 PolarHBondContact NE2-OE1 2.84Å; Q43-A252 HydrophobicContact CG-CB 4.1Å; Q43-S254 PolarHBondContact OE1-OG 2.75Å; Q43-R363 PolarHBondContact O-NH1 2.9Å; Q43-R363 PolarHBondContact O-NH2 2.89Å; Q43-I365 HydrophobicContact CB-CD1 4.02Å; Q43-I365 HydrophobicContact CB-CG1 4.32Å; Q43-I365 HydrophobicContact CB-CG2 3.47Å; Q43-I365 VanDerWaalsContact CB-CG2 3.47Å; Q43-I365 HydrophobicContact CG-CG2 3.61Å
44	R	94.9	Very high	94.8	Very high	71 Å²	71	54.6 Å²	54.6	27%	0.268	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-25.6	178	-157.4	172	-162	-150.2	1.8	113.4	C34 C40 M46 T280 G283 D333	C34-R44 VanDerWaalsContact SG-CD 3.55Å; C40-R44 WeakPolarHBondContact O-CB 3.26Å; C40-R44 PolarHBondContact O-N 2.75Å; R44-M46 PolarHBondContact O-N 2.67Å; R44-T280 PolarHBondContact NH2-O 3.3Å; R44-T280 VanDerWaalsContact NH2-O 3.08Å; R44-G283 VanDerWaalsContact CZ-O 3.24Å; R44-G283 PolarHBondContact NH1-O 2.82Å; R44-G283 PolarHBondContact NH2-O 2.84Å; R44-D333 IonicContact CZ-OD1 2.69Å; R44-D333 IonicContact CZ-OD2 3.35Å; R44-D333 IonicContact NE-OD1 3.09Å; R44-D333 PolarHBondContact NE-OD1 3.29Å; R44-D333 IonicContact NE-OD2 2.88Å; R44-D333 PolarHBondContact NE-OD2 3.3Å; R44-D333 IonicContact NH2-OD1 3.06Å; R44-D333 PolarHBondContact NH2-OD1 2.8Å; R44-D333 IonicContact NH2-OD2 3.11Å
45	A	94.8	Very high	94.9	Very high	72 Å²	72	54.9 Å²	54.9	60%	0.595	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.8	171.9	0	0	0	0	0	113.8	K41 R42 Q43 K47	K41-A45 WeakPolarHBondContact O-CB 3.28Å; K41-A45 PolarHBondContact O-N 2.83Å; R42-A45 PolarHBondContact O-N 2.83Å; Q43-A45 VanDerWaalsContact C-N 3.3Å; Q43-A45 PolarHBondContact O-N 3.11Å; A45-K47 PolarHBondContact O-N 2.96Å
46	M	93.1	Very high	94.9	Very high	60 Å²	60	49.9 Å²	49.9	30%	0.296	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-64.5	128.2	173.1	-62.4	174.8	58.3	0	0	110.4	Q43 R44 L168 R363	Q43-M46 VanDerWaalsContact O-CB 3.25Å; Q43-M46 WeakPolarHBondContact O-CB 3.35Å; Q43-M46 WeakPolarHBondContact O-CG 3.46Å; Q43-M46 PolarHBondContact O-N 2.87Å; Q43-M46 VanDerWaalsContact O-N 3.12Å; R44-M46 PolarHBondContact O-N 2.67Å; M46-L168 HydrophobicContact CB-CD2 4.19Å; M46-R363 PolarHBondContact SD-NH2 3.1Å; M46-R363 VanDerWaalsContact SD-NH2 3.4Å
47	K	89.3	Confident	94.9	Very high	181 Å²	181	46.7 Å²	46.7	79%	0.787	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-95.3	146.3	-179.5	-63.7	-173.6	-179.9	-177.7	0	111.3	A45 G49	A45-K47 PolarHBondContact O-N 2.96Å; K47-G49 PolarHBondContact O-N 2.95Å
48	P	91.2	Very high	94.8	Very high	72 Å²	72	53.8 Å²	53.8	47%	0.468	28%	0.277	S	S	.	.	S	Bend	trans	-54.7	137.1	170.5	-25	34.1	0	0	0	111.2	R166 L168	P48-R166 VanDerWaalsContact CA-O 3.29Å; P48-R166 WeakPolarHBondContact CA-O 3.27Å; P48-R166 HydrophobicContact CB-CB 4.33Å; P48-R166 VanDerWaalsContact CG-NH2 3.31Å; P48-L168 HydrophobicContact CG-CD1 4.38Å
49	G	89.8	Confident	94.9	Very high	48 Å²	48	54.7 Å²	54.7	50%	0.495	28%	0.282	S	S	.	.	S	Bend	trans	173.1	-162.5	-175	0	0	0	0	0	112.9	K47 S51 R166	K47-G49 PolarHBondContact O-N 2.95Å; G49-S51 PolarHBondContact O-N 2.94Å; G49-R166 PolarHBondContact N-O 3.39Å
50	E	84.6	Confident	94.8	Very high	150 Å²	150	56.2 Å²	56.2	70%	0.701	29%	0.29	S	S	*	.			trans	-71.3	118	174.5	-167.2	176.9	179.2	0	0	109.6	P148	E50-P148 HydrophobicContact CG-CB 4.31Å; E50-P148 HydrophobicContact CG-CG 4.28Å
51	S	93.5	Very high	94.7	Very high	6 Å²	6	62.3 Å²	62.3	4%	0.042	32%	0.318	C	S	.	.			trans	-62.2	134.9	177.6	-161.2	0	0	0	0	110.2	G49 Y53 N164	G49-S51 PolarHBondContact O-N 2.94Å; S51-Y53 PolarHBondContact O-N 2.9Å; S51-N164 WeakPolarHBondContact CB-ND2 3.31Å; S51-N164 PolarHBondContact OG-ND2 2.79Å
52	P	95.4	Very high	94.5	Very high	30 Å²	30	60 Å²	60	20%	0.195	31%	0.311	C	S	.	.	S	Bend	trans	-73.9	-6.1	174.8	32.4	-36.4	0	0	0	112.7	N73 D74 N75	P52-N73 CarbonylContact O-C 3.6Å; P52-N73 WeakPolarHBondContact O-CA 3.49Å; P52-D74 PolarHBondContact O-N 3.11Å; P52-N75 WeakPolarHBondContact CB-ND2 3.3Å
53	Y	97.9	Very high	94.2	Very high	11 Å²	11	60.6 Å²	60.6	4%	0.043	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.9	178.7	-64.7	-88.9	0	0	0	110.4	S51 I72 N73 L80 F149 L169 F171	S51-Y53 PolarHBondContact O-N 2.9Å; Y53-I72 WeakPolarHBondContact CA-O 3.31Å; Y53-N73 HydrophobicContact CD1-CB 3.92Å; Y53-N73 HydrophobicContact CE1-CB 3.63Å; Y53-N73 PolarHBondContact OH-ND2 3.05Å; Y53-N73 VanDerWaalsContact OH-ND2 3.13Å; Y53-L80 HydrophobicContact CD1-CD1 4.15Å; Y53-L80 HydrophobicContact CE1-CD1 3.67Å; Y53-F149 WeakPolarHBondContact O-CB 3.29Å; Y53-F149 PolarHBondContact O-N 2.68Å; Y53-L169 HydrophobicContact CD1-CD2 4.14Å; Y53-L169 HydrophobicContact CD2-CB 4.16Å; Y53-L169 HydrophobicContact CD2-CD2 3.82Å; Y53-L169 HydrophobicContact CD2-CG 3.83Å; Y53-L169 HydrophobicContact CE2-CB 4.42Å; Y53-L169 HydrophobicContact CE2-CD2 4.36Å; Y53-L169 HydrophobicContact CE2-CG 3.96Å; Y53-L169 WeakPolarHBondContact CE2-O 3.32Å; Y53-L169 HydrophobicContact CG-CD2 3.71Å; Y53-L169 HydrophobicContact CG-CG 4.21Å; Y53-F171 HydrophobicContact CE1-CB 4.48Å; Y53-F171 PolarHBondContact OH-N 2.89Å
54	R	97.5	Very high	93.5	Very high	70 Å²	70	67 Å²	67	26%	0.264	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.6	168.6	65.7	179	179.6	89.8	6.3	111	L71 I72 D74 A146 R147	R54-L71 CarbonylContact O-C 3.58Å; R54-L71 WeakPolarHBondContact O-CA 3.41Å; R54-I72 HydrophobicContact CG-CG2 3.46Å; R54-I72 VanDerWaalsContact CG-CG2 3.46Å; R54-I72 VanDerWaalsContact CZ-CG2 3.46Å; R54-I72 PolarHBondContact N-O 2.74Å; R54-I72 PolarHBondContact O-N 3.11Å; R54-D74 VanDerWaalsContact CD-OD2 3.28Å; R54-D74 WeakPolarHBondContact CD-OD2 3.36Å; R54-D74 IonicContact CZ-OD1 2.79Å; R54-D74 IonicContact NE-OD1 2.8Å; R54-D74 PolarHBondContact NE-OD1 3.49Å; R54-D74 IonicContact NE-OD2 3.88Å; R54-D74 PolarHBondContact NE-OD2 2.92Å; R54-D74 IonicContact NH2-OD1 3.98Å; R54-A146 CarbonylContact C-O 3.59Å; R54-A146 WeakPolarHBondContact CA-O 3.19Å; R54-A146 VanDerWaalsContact CB-O 3.26Å; R54-A146 WeakPolarHBondContact CB-O 3.13Å; R54-R147 HydrophobicContact CB-CB 4.31Å; R54-R147 HydrophobicContact CB-CG 4.28Å
55	A	97.7	Very high	93	Very high	6 Å²	6	66 Å²	66	5%	0.05	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.1	177.1	0	0	0	0	0	110.8	L57 L69 L71 A146 F149	A55-L57 PolarHBondContact O-N 2.99Å; A55-L69 HydrophobicContact CB-CD2 3.54Å; A55-L69 HydrophobicContact CB-CG 4.26Å; A55-L71 HydrophobicContact CB-CD2 3.74Å; A55-A146 HydrophobicContact CB-CB 4.32Å; A55-A146 PolarHBondContact N-O 3.26Å; A55-F149 HydrophobicContact CB-CD2 4.08Å
56	L	97.5	Very high	92.9	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	84.5	178.8	-61.6	-174.2	0	0	0	109.7	E58 T59 L69 Q70 I72	L56-E58 WeakPolarHBondContact CA-OE2 3.24Å; L56-E58 PolarHBondContact O-N 2.88Å; L56-T59 HydrophobicContact CB-CG2 3.81Å; L56-T59 HydrophobicContact CD1-CG2 4.26Å; L56-T59 WeakPolarHBondContact O-CB 3.36Å; L56-T59 PolarHBondContact O-N 3.29Å; L56-T59 PolarHBondContact O-OG1 3.48Å; L56-L69 WeakPolarHBondContact O-CD1 3.46Å; L56-Q70 HydrophobicContact CB-CB 4.34Å; L56-Q70 WeakPolarHBondContact CB-O 3.32Å; L56-Q70 HydrophobicContact CD1-CB 4.12Å; L56-Q70 HydrophobicContact CG-CB 4.5Å; L56-Q70 PolarHBondContact N-O 2.9Å; L56-I72 HydrophobicContact CD1-CB 4.32Å; L56-I72 HydrophobicContact CD1-CG2 4.31Å; L56-I72 HydrophobicContact CD2-CG2 3.68Å; L56-I72 HydrophobicContact CG-CB 4.45Å; L56-I72 HydrophobicContact CG-CG2 4.03Å
57	L	96.3	Very high	93.1	Very high	21 Å²	21	63.4 Å²	63.4	11%	0.11	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	-26.7	-174.6	-59.2	-175.3	0	0	0	113.3	A55 T59 M60 L69 D127 V131 A146	A55-L57 PolarHBondContact O-N 2.99Å; L57-T59 PolarHBondContact O-N 2.87Å; L57-M60 WeakPolarHBondContact O-CB 3.44Å; L57-M60 PolarHBondContact O-N 2.81Å; L57-L69 HydrophobicContact CD2-CD1 4.45Å; L57-L69 HydrophobicContact CD2-CD2 4.38Å; L57-D127 VanDerWaalsContact CD1-O 3.31Å; L57-D127 WeakPolarHBondContact CD1-O 3.42Å; L57-V131 HydrophobicContact CD2-CG1 4.28Å; L57-A146 HydrophobicContact CD1-CB 4Å; L57-A146 HydrophobicContact CD2-CB 4.11Å; L57-A146 HydrophobicContact CG-CB 3.94Å
58	E	95.5	Very high	93.5	Very high	149 Å²	149	55.3 Å²	55.3	70%	0.696	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-17.1	174.8	71	-83	-164.7	0	0	114	L56	L56-E58 WeakPolarHBondContact CA-OE2 3.24Å; L56-E58 PolarHBondContact O-N 2.88Å
59	T	97.1	Very high	93.7	Very high	31 Å²	31	52 Å²	52	19%	0.19	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	3.5	177.5	69	0	0	0	0	113	L56 L57 E61 Q70	L56-T59 HydrophobicContact CB-CG2 3.81Å; L56-T59 HydrophobicContact CD1-CG2 4.26Å; L56-T59 WeakPolarHBondContact O-CB 3.36Å; L56-T59 PolarHBondContact O-N 3.29Å; L56-T59 PolarHBondContact O-OG1 3.48Å; L57-T59 PolarHBondContact O-N 2.87Å; T59-E61 PolarHBondContact O-N 3.21Å; T59-Q70 HydrophobicContact CG2-CB 4.16Å; T59-Q70 HydrophobicContact CG2-CG 4.12Å; T59-Q70 WeakPolarHBondContact OG1-CB 3.34Å; T59-Q70 PolarHBondContact OG1-N 2.62Å
60	M	96	Very high	94.1	Very high	38 Å²	38	51.6 Å²	51.6	19%	0.187	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	125.7	-176.2	-171.7	179.6	72.8	0	0	111.1	L57 L67 T68 L69 L123 V131	L57-M60 WeakPolarHBondContact O-CB 3.44Å; L57-M60 PolarHBondContact O-N 2.81Å; M60-L67 HydrophobicContact CG-CD1 3.47Å; M60-L67 VanDerWaalsContact CG-CD1 3.47Å; M60-L67 HydrophobicContact CG-CG 4.4Å; M60-L67 HydrophobicContact SD-CD1 3.54Å; M60-L67 VanDerWaalsContact SD-CD1 3.54Å; M60-T68 WeakPolarHBondContact CA-O 3.49Å; M60-L69 HydrophobicContact CB-CD1 3.78Å; M60-L69 HydrophobicContact CG-CD1 4.33Å; M60-L123 HydrophobicContact CE-CD2 4.5Å; M60-V131 HydrophobicContact CE-CG1 4.33Å; M60-V131 HydrophobicContact SD-CB 4.38Å; M60-V131 HydrophobicContact SD-CG1 3.74Å; M60-V131 HydrophobicContact SD-CG2 4.14Å
61	E	96.1	Very high	94.8	Very high	127 Å²	127	44.5 Å²	44.5	59%	0.593	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.3	165.9	-49.8	178.3	163.1	0	0	108.6	T59 L67 T68	T59-E61 PolarHBondContact O-N 3.21Å; E61-L67 CarbonylContact O-C 3.6Å; E61-L67 WeakPolarHBondContact O-CA 3.4Å; E61-T68 WeakPolarHBondContact CB-OG1 3.47Å; E61-T68 PolarHBondContact N-O 3.07Å; E61-T68 PolarHBondContact O-N 3.4Å; E61-T68 PolarHBondContact O-OG1 3.05Å
62	L	93.7	Very high	95	Very high	63 Å²	63	44.8 Å²	44.8	33%	0.33	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.1	176	-178.9	65.2	0	0	0	108.8	L67 L121 L123 L133	L62-L67 HydrophobicContact CB-CD1 4.38Å; L62-L67 HydrophobicContact CD1-CB 4.12Å; L62-L67 HydrophobicContact CD1-CD1 4.07Å; L62-L121 HydrophobicContact CD1-CB 4.47Å; L62-L121 HydrophobicContact CD1-CD2 3.79Å; L62-L121 HydrophobicContact CD1-CG 4.26Å; L62-L123 HydrophobicContact CD2-CB 3.76Å; L62-L133 HydrophobicContact CD1-CD2 4.32Å; L62-L133 HydrophobicContact CD2-CD2 4.24Å
63	T	89.8	Confident	95.1	Very high	60 Å²	60	43.8 Å²	43.8	37%	0.368	22%	0.217	S	C	.	.			trans	-95.3	174.7	162.8	76.5	0	0	0	0	109.3	T65 R66	T63-T65 PolarHBondContact O-N 2.89Å; T63-T65 VanDerWaalsContact O-N 3.07Å; T63-T65 PolarHBondContact OG1-N 2.68Å; T63-R66 PolarHBondContact N-O 2.96Å; T63-R66 PolarHBondContact OG1-N 2.85Å; T63-R66 VanDerWaalsContact OG1-N 3.07Å; T63-R66 PolarHBondContact OG1-O 3.24Å
64	N	82.4	Confident	94.9	Very high	138 Å²	138	45.1 Å²	45.1	74%	0.738	23%	0.225	S	C	*	.	S	Bend	trans	-58.3	-22.9	175.5	-70.9	-13.9	0	0	0	113.1	P120 L121	N64-P120 CarbonylContact O-C 3.55Å; N64-P120 WeakPolarHBondContact O-CA 3.37Å; N64-L121 PolarHBondContact O-N 3.16Å
65	T	83.9	Confident	94.7	Very high	50 Å²	50	48.1 Å²	48.1	31%	0.307	25%	0.246	S	C	.	.	S	Bend	trans	-125.9	-7.3	-169.4	53.5	0	0	0	0	114.2	T63 T118	T63-T65 PolarHBondContact O-N 2.89Å; T63-T65 VanDerWaalsContact O-N 3.07Å; T63-T65 PolarHBondContact OG1-N 2.68Å; T65-T118 WeakPolarHBondContact CB-OG1 3.19Å; T65-T118 VanDerWaalsContact CG2-OG1 3.27Å; T65-T118 WeakPolarHBondContact CG2-OG1 3.24Å
66	R	93.3	Very high	94.4	Very high	78 Å²	78	50.6 Å²	50.6	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	136.1	-172.7	-177.4	-177.2	68.9	172.4	-2	111	T63 T68 E83 L84 Y85	T63-R66 PolarHBondContact N-O 2.96Å; T63-R66 PolarHBondContact OG1-N 2.85Å; T63-R66 VanDerWaalsContact OG1-N 3.07Å; T63-R66 PolarHBondContact OG1-O 3.24Å; R66-T68 HydrophobicContact CG-CG2 4.03Å; R66-T68 VanDerWaalsContact NE-CG2 3.33Å; R66-E83 IonicContact CZ-OE1 2.64Å; R66-E83 IonicContact NH1-OE1 3.21Å; R66-E83 PolarHBondContact NH1-OE1 3.13Å; R66-L84 WeakPolarHBondContact CA-O 3.44Å; R66-Y85 HydrophobicContact CB-CD1 4Å; R66-Y85 HydrophobicContact CB-CE1 3.87Å; R66-Y85 VanDerWaalsContact CD-CE1 3.4Å; R66-Y85 WeakPolarHBondContact CD-OH 3.26Å; R66-Y85 HydrophobicContact CG-CD1 3.97Å; R66-Y85 HydrophobicContact CG-CE1 3.58Å; R66-Y85 HydrophobicContact CG-CE2 4.36Å
67	L	96.1	Very high	94.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132	161.2	177.9	94.8	0	0	0	108.8	M60 E61 L62 E83 L84 L121 L133 V144	M60-L67 HydrophobicContact CG-CD1 3.47Å; M60-L67 VanDerWaalsContact CG-CD1 3.47Å; M60-L67 HydrophobicContact CG-CG 4.4Å; M60-L67 HydrophobicContact SD-CD1 3.54Å; M60-L67 VanDerWaalsContact SD-CD1 3.54Å; E61-L67 CarbonylContact O-C 3.6Å; E61-L67 WeakPolarHBondContact O-CA 3.4Å; L62-L67 HydrophobicContact CB-CD1 4.38Å; L62-L67 HydrophobicContact CD1-CB 4.12Å; L62-L67 HydrophobicContact CD1-CD1 4.07Å; L67-E83 WeakPolarHBondContact O-CA 3.5Å; L67-L84 HydrophobicContact CB-CB 4.2Å; L67-L84 HydrophobicContact CD2-CB 4.23Å; L67-L84 HydrophobicContact CD2-CD2 4.01Å; L67-L84 PolarHBondContact N-O 3.12Å; L67-L84 PolarHBondContact O-N 3.25Å; L67-L121 HydrophobicContact CB-CD2 3.82Å; L67-L133 HydrophobicContact CB-CD1 4.23Å; L67-L133 HydrophobicContact CD1-CD1 3.98Å; L67-L133 HydrophobicContact CD1-CD2 4.34Å; L67-L133 HydrophobicContact CD2-CD1 3.73Å; L67-L133 HydrophobicContact CG-CD1 4.19Å; L67-V144 HydrophobicContact CD2-CG2 4.3Å
68	T	97.6	Very high	94.3	Very high	12 Å²	12	57.4 Å²	57.4	7%	0.074	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.7	165.1	63.7	0	0	0	0	110.2	M60 E61 R66 L82 E83	M60-T68 WeakPolarHBondContact CA-O 3.49Å; E61-T68 WeakPolarHBondContact CB-OG1 3.47Å; E61-T68 PolarHBondContact N-O 3.07Å; E61-T68 PolarHBondContact O-N 3.4Å; E61-T68 PolarHBondContact O-OG1 3.05Å; R66-T68 HydrophobicContact CG-CG2 4.03Å; R66-T68 VanDerWaalsContact NE-CG2 3.33Å; T68-L82 VanDerWaalsContact CA-O 3.32Å; T68-L82 WeakPolarHBondContact CA-O 3.36Å; T68-E83 HydrophobicContact CG2-CG 4.17Å
69	L	96.6	Very high	94.4	Very high	1 Å²	1	56 Å²	56	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	137.8	-175.8	-175.3	66.9	0	0	0	109.9	A55 L56 L57 M60 L82 V144	A55-L69 HydrophobicContact CB-CD2 3.54Å; A55-L69 HydrophobicContact CB-CG 4.26Å; L56-L69 WeakPolarHBondContact O-CD1 3.46Å; L57-L69 HydrophobicContact CD2-CD1 4.45Å; L57-L69 HydrophobicContact CD2-CD2 4.38Å; M60-L69 HydrophobicContact CB-CD1 3.78Å; M60-L69 HydrophobicContact CG-CD1 4.33Å; L69-L82 HydrophobicContact CB-CB 4.4Å; L69-L82 HydrophobicContact CB-CD2 4.35Å; L69-L82 HydrophobicContact CD2-CD2 4.25Å; L69-L82 PolarHBondContact N-O 3.45Å; L69-L82 WeakPolarHBondContact O-CB 3.26Å; L69-L82 PolarHBondContact O-N 3.03Å; L69-V144 HydrophobicContact CD2-CG1 4.01Å
70	Q	98.3	Very high	94.5	Very high	41 Å²	41	54.6 Å²	54.6	19%	0.192	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.5	172.6	-62.1	178	29.9	0	0	110.4	L56 T59 L80 L99	L56-Q70 HydrophobicContact CB-CB 4.34Å; L56-Q70 WeakPolarHBondContact CB-O 3.32Å; L56-Q70 HydrophobicContact CD1-CB 4.12Å; L56-Q70 HydrophobicContact CG-CB 4.5Å; L56-Q70 PolarHBondContact N-O 2.9Å; T59-Q70 HydrophobicContact CG2-CB 4.16Å; T59-Q70 HydrophobicContact CG2-CG 4.12Å; T59-Q70 WeakPolarHBondContact OG1-CB 3.34Å; T59-Q70 PolarHBondContact OG1-N 2.62Å; Q70-L80 CarbonylContact C-O 3.48Å; Q70-L80 VanDerWaalsContact CA-O 3.29Å; Q70-L80 WeakPolarHBondContact CA-O 3.45Å; Q70-L99 HydrophobicContact CG-CD2 4.26Å
71	L	98.4	Very high	94.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143.2	165.1	-50	179.6	0	0	0	108.5	R54 A55 R79 L80 L82 I96 F149 L169	R54-L71 CarbonylContact O-C 3.58Å; R54-L71 WeakPolarHBondContact O-CA 3.41Å; A55-L71 HydrophobicContact CB-CD2 3.74Å; L71-R79 CarbonylContact O-C 3.6Å; L71-R79 VanDerWaalsContact O-CA 3.27Å; L71-R79 WeakPolarHBondContact O-CA 3.29Å; L71-L80 HydrophobicContact CB-CB 4.22Å; L71-L80 PolarHBondContact N-O 3.45Å; L71-L80 PolarHBondContact O-N 2.93Å; L71-L82 HydrophobicContact CD1-CB 4.22Å; L71-L82 HydrophobicContact CD2-CB 4.3Å; L71-L82 HydrophobicContact CD2-CD2 4.36Å; L71-L82 HydrophobicContact CG-CB 4.06Å; L71-I96 HydrophobicContact CD1-CD1 4.16Å; L71-I96 HydrophobicContact CD1-CG2 4.27Å; L71-F149 HydrophobicContact CD1-CD1 3.88Å; L71-F149 HydrophobicContact CD1-CD2 4.47Å; L71-F149 HydrophobicContact CD1-CE1 3.74Å; L71-F149 HydrophobicContact CD1-CE2 4.35Å; L71-F149 HydrophobicContact CD1-CG 4.23Å; L71-F149 HydrophobicContact CD1-CZ 3.98Å; L71-F149 HydrophobicContact CD2-CD1 4.38Å; L71-F149 HydrophobicContact CD2-CD2 3.59Å; L71-F149 HydrophobicContact CD2-CE2 3.8Å; L71-F149 HydrophobicContact CD2-CG 3.89Å; L71-F149 HydrophobicContact CD2-CZ 4.28Å; L71-L169 HydrophobicContact CD1-CD2 4.42Å
72	I	97.9	Very high	94.7	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.8	171.4	-170.9	170.8	0	0	0	109.7	Y53 R54 L56 V78 R79	Y53-I72 WeakPolarHBondContact CA-O 3.31Å; R54-I72 HydrophobicContact CG-CG2 3.46Å; R54-I72 VanDerWaalsContact CG-CG2 3.46Å; R54-I72 VanDerWaalsContact CZ-CG2 3.46Å; R54-I72 PolarHBondContact N-O 2.74Å; R54-I72 PolarHBondContact O-N 3.11Å; L56-I72 HydrophobicContact CD1-CB 4.32Å; L56-I72 HydrophobicContact CD1-CG2 4.31Å; L56-I72 HydrophobicContact CD2-CG2 3.68Å; L56-I72 HydrophobicContact CG-CB 4.45Å; L56-I72 HydrophobicContact CG-CG2 4.03Å; I72-V78 WeakPolarHBondContact CA-O 3.42Å; I72-R79 HydrophobicContact CD1-CG 4.49Å; I72-R79 HydrophobicContact CG1-CG 4.38Å
73	N	96.6	Very high	95	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	115.9	169.8	-178.5	-45	0	0	0	108.8	P52 Y53 N75 N76 K77 V78	P52-N73 CarbonylContact O-C 3.6Å; P52-N73 WeakPolarHBondContact O-CA 3.49Å; Y53-N73 HydrophobicContact CD1-CB 3.92Å; Y53-N73 HydrophobicContact CE1-CB 3.63Å; Y53-N73 PolarHBondContact OH-ND2 3.05Å; Y53-N73 VanDerWaalsContact OH-ND2 3.13Å; N73-N75 PolarHBondContact O-N 2.8Å; N73-N75 WeakPolarHBondContact OD1-CA 3.5Å; N73-N75 WeakPolarHBondContact OD1-CB 3.46Å; N73-N75 PolarHBondContact OD1-N 2.98Å; N73-N76 VanDerWaalsContact CB-OD1 3.26Å; N73-N76 WeakPolarHBondContact CB-OD1 3.24Å; N73-N76 PolarHBondContact O-N 2.89Å; N73-N76 PolarHBondContact OD1-N 3.42Å; N73-K77 WeakPolarHBondContact O-CA 3.46Å; N73-K77 PolarHBondContact O-N 3.3Å; N73-V78 PolarHBondContact N-O 3.47Å
74	D	94.6	Very high	95.3	Very high	38 Å²	38	44.5 Å²	44.5	20%	0.203	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.5	-175.7	-82.7	-25.7	0	0	0	113.4	P52 R54 K77	P52-D74 PolarHBondContact O-N 3.11Å; R54-D74 VanDerWaalsContact CD-OD2 3.28Å; R54-D74 WeakPolarHBondContact CD-OD2 3.36Å; R54-D74 IonicContact CZ-OD1 2.79Å; R54-D74 IonicContact NE-OD1 2.8Å; R54-D74 PolarHBondContact NE-OD1 3.49Å; R54-D74 IonicContact NE-OD2 3.88Å; R54-D74 PolarHBondContact NE-OD2 2.92Å; R54-D74 IonicContact NH2-OD1 3.98Å; D74-K77 WeakPolarHBondContact O-CE 3.35Å; D74-K77 PolarHBondContact O-NZ 3.29Å
75	N	93.4	Very high	96	Very high	133 Å²	133	39.4 Å²	39.4	71%	0.711	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-42	179.2	-63	-15.7	0	0	0	112.2	P52 N73	P52-N75 WeakPolarHBondContact CB-ND2 3.3Å; N73-N75 PolarHBondContact O-N 2.8Å; N73-N75 WeakPolarHBondContact OD1-CA 3.5Å; N73-N75 WeakPolarHBondContact OD1-CB 3.46Å; N73-N75 PolarHBondContact OD1-N 2.98Å
76	N	92.4	Very high	96.5	Very high	59 Å²	59	38.9 Å²	38.9	32%	0.316	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-1.4	-173.9	65.9	27.8	0	0	0	114.6	N73 V78	N73-N76 VanDerWaalsContact CB-OD1 3.26Å; N73-N76 WeakPolarHBondContact CB-OD1 3.24Å; N73-N76 PolarHBondContact O-N 2.89Å; N73-N76 PolarHBondContact OD1-N 3.42Å; N76-V78 PolarHBondContact O-N 3.36Å; N76-V78 VanDerWaalsContact O-N 3.14Å; N76-V78 VanDerWaalsContact OD1-CB 3.3Å; N76-V78 WeakPolarHBondContact OD1-CB 3.47Å; N76-V78 WeakPolarHBondContact OD1-CG2 2.88Å; N76-V78 PolarHBondContact OD1-N 2.85Å
77	K	95.4	Very high	96.5	Very high	131 Å²	131	35.2 Å²	35.2	57%	0.57	17%	0.167	S	C	*	.			trans	62.5	11.7	179	-47.9	-51.8	-174.7	-166.4	0	115.4	N73 D74	N73-K77 WeakPolarHBondContact O-CA 3.46Å; N73-K77 PolarHBondContact O-N 3.3Å; D74-K77 WeakPolarHBondContact O-CE 3.35Å; D74-K77 PolarHBondContact O-NZ 3.29Å
78	V	95.8	Very high	96.4	Very high	34 Å²	34	40.2 Å²	40.2	21%	0.206	19%	0.19	C	C	.	.			trans	-68.4	139.3	175	175.4	0	0	0	0	110.2	I72 N73 N76 L80 H173	I72-V78 WeakPolarHBondContact CA-O 3.42Å; N73-V78 PolarHBondContact N-O 3.47Å; N76-V78 PolarHBondContact O-N 3.36Å; N76-V78 VanDerWaalsContact O-N 3.14Å; N76-V78 VanDerWaalsContact OD1-CB 3.3Å; N76-V78 WeakPolarHBondContact OD1-CB 3.47Å; N76-V78 WeakPolarHBondContact OD1-CG2 2.88Å; N76-V78 PolarHBondContact OD1-N 2.85Å; V78-L80 HydrophobicContact CG1-CD2 4.24Å; V78-H173 HydrophobicContact CG1-CB 3.88Å; V78-H173 HydrophobicContact CG2-CB 4.16Å
79	R	97.8	Very high	96.1	Very high	120 Å²	120	41.8 Å²	41.8	45%	0.453	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.2	178.1	-63	-173.4	179.7	-151.5	1.9	111.1	L71 I72 L99	L71-R79 CarbonylContact O-C 3.6Å; L71-R79 VanDerWaalsContact O-CA 3.27Å; L71-R79 WeakPolarHBondContact O-CA 3.29Å; I72-R79 HydrophobicContact CD1-CG 4.49Å; I72-R79 HydrophobicContact CG1-CG 4.38Å; R79-L99 HydrophobicContact CB-CB 4.18Å; R79-L99 HydrophobicContact CB-CD2 3.92Å; R79-L99 WeakPolarHBondContact O-CB 3.14Å; R79-L99 PolarHBondContact O-N 2.85Å; R79-L99 VanDerWaalsContact O-N 3.08Å
80	L	98.6	Very high	96	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	160.9	172.5	-49.7	179	0	0	0	109.4	Y53 Q70 L71 V78 I96 N97 E98 F171	Y53-L80 HydrophobicContact CD1-CD1 4.15Å; Y53-L80 HydrophobicContact CE1-CD1 3.67Å; Q70-L80 CarbonylContact C-O 3.48Å; Q70-L80 VanDerWaalsContact CA-O 3.29Å; Q70-L80 WeakPolarHBondContact CA-O 3.45Å; L71-L80 HydrophobicContact CB-CB 4.22Å; L71-L80 PolarHBondContact N-O 3.45Å; L71-L80 PolarHBondContact O-N 2.93Å; V78-L80 HydrophobicContact CG1-CD2 4.24Å; L80-I96 HydrophobicContact CB-CG2 3.94Å; L80-I96 HydrophobicContact CD1-CG2 3.74Å; L80-I96 HydrophobicContact CG-CG2 4.44Å; L80-N97 CarbonylContact C-O 3.52Å; L80-N97 WeakPolarHBondContact CA-O 3.28Å; L80-N97 WeakPolarHBondContact CB-O 3.28Å; L80-E98 HydrophobicContact CD2-CB 4.47Å; L80-E98 HydrophobicContact CD2-CG 4.06Å; L80-F171 HydrophobicContact CD1-CB 3.79Å; L80-F171 HydrophobicContact CD1-CD1 4.35Å; L80-F171 HydrophobicContact CD1-CD2 3.82Å; L80-F171 HydrophobicContact CD1-CG 3.7Å; L80-F171 HydrophobicContact CD2-CD1 3.71Å; L80-F171 HydrophobicContact CD2-CD2 4.28Å; L80-F171 HydrophobicContact CD2-CE1 3.94Å; L80-F171 HydrophobicContact CD2-CE2 4.44Å; L80-F171 HydrophobicContact CD2-CG 3.91Å; L80-F171 HydrophobicContact CD2-CZ 4.28Å; L80-F171 HydrophobicContact CG-CG 4.49Å
81	L	98.6	Very high	96	Very high	50 Å²	50	41.7 Å²	41.7	26%	0.262	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.6	170	-178.7	65.3	0	0	0	108.3	E83 I96 N97 L99	L81-E83 HydrophobicContact CD2-CG 4.17Å; L81-E83 HydrophobicContact CG-CG 4.12Å; L81-I96 WeakPolarHBondContact O-CA 3.13Å; L81-N97 PolarHBondContact N-O 2.89Å; L81-N97 PolarHBondContact O-N 2.99Å; L81-L99 HydrophobicContact CB-CD1 4.21Å; L81-L99 HydrophobicContact CD1-CD1 4.49Å
82	L	98.6	Very high	95.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.5	165.4	171.6	69.6	0	0	0	108.3	T68 L69 L71 V94 K95 I96 F149	T68-L82 VanDerWaalsContact CA-O 3.32Å; T68-L82 WeakPolarHBondContact CA-O 3.36Å; L69-L82 HydrophobicContact CB-CB 4.4Å; L69-L82 HydrophobicContact CB-CD2 4.35Å; L69-L82 HydrophobicContact CD2-CD2 4.25Å; L69-L82 PolarHBondContact N-O 3.45Å; L69-L82 WeakPolarHBondContact O-CB 3.26Å; L69-L82 PolarHBondContact O-N 3.03Å; L71-L82 HydrophobicContact CD1-CB 4.22Å; L71-L82 HydrophobicContact CD2-CB 4.3Å; L71-L82 HydrophobicContact CD2-CD2 4.36Å; L71-L82 HydrophobicContact CG-CB 4.06Å; L82-V94 HydrophobicContact CD1-CG1 3.65Å; L82-K95 CarbonylContact C-O 3.49Å; L82-K95 WeakPolarHBondContact CA-O 3.38Å; L82-I96 HydrophobicContact CD1-CD1 4.36Å; L82-I96 HydrophobicContact CD1-CG1 3.83Å; L82-F149 HydrophobicContact CD1-CZ 4.25Å; L82-F149 HydrophobicContact CD2-CE2 3.68Å; L82-F149 HydrophobicContact CD2-CZ 3.89Å
83	E	98.3	Very high	95.9	Very high	26 Å²	26	41.7 Å²	41.7	12%	0.121	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	166	-52	-176.6	84.9	0	0	109.2	R66 L67 T68 L81 Y85 K95	R66-E83 IonicContact CZ-OE1 2.64Å; R66-E83 IonicContact NH1-OE1 3.21Å; R66-E83 PolarHBondContact NH1-OE1 3.13Å; L67-E83 WeakPolarHBondContact O-CA 3.5Å; T68-E83 HydrophobicContact CG2-CG 4.17Å; L81-E83 HydrophobicContact CD2-CG 4.17Å; L81-E83 HydrophobicContact CG-CG 4.12Å; E83-Y85 HydrophobicContact CB-CD2 4.38Å; E83-Y85 HydrophobicContact CB-CE2 3.53Å; E83-Y85 PolarHBondContact OE1-OH 2.95Å; E83-K95 HydrophobicContact CB-CB 4.25Å; E83-K95 PolarHBondContact N-O 3.38Å; E83-K95 PolarHBondContact O-N 2.79Å
84	L	97.6	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.4	179.7	174.5	73.5	0	0	0	109.1	R66 L67 T92 R93 V94 L133 V142 V144	R66-L84 WeakPolarHBondContact CA-O 3.44Å; L67-L84 HydrophobicContact CB-CB 4.2Å; L67-L84 HydrophobicContact CD2-CB 4.23Å; L67-L84 HydrophobicContact CD2-CD2 4.01Å; L67-L84 PolarHBondContact N-O 3.12Å; L67-L84 PolarHBondContact O-N 3.25Å; L84-T92 HydrophobicContact CD1-CG2 3.51Å; L84-R93 WeakPolarHBondContact CA-O 3.32Å; L84-V94 HydrophobicContact CD1-CG2 3.76Å; L84-L133 HydrophobicContact CD2-CD1 3.8Å; L84-V142 HydrophobicContact CD2-CG1 3.84Å; L84-V142 HydrophobicContact CD2-CG2 4.19Å; L84-V144 HydrophobicContact CD2-CG2 4.48Å
85	Y	96.1	Very high	96.2	Very high	31 Å²	31	40.5 Å²	40.5	12%	0.122	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.1	-178.7	-57.4	-98.8	0	0	0	110.3	R66 E83 T92 R93 K95 T118	R66-Y85 HydrophobicContact CB-CD1 4Å; R66-Y85 HydrophobicContact CB-CE1 3.87Å; R66-Y85 VanDerWaalsContact CD-CE1 3.4Å; R66-Y85 WeakPolarHBondContact CD-OH 3.26Å; R66-Y85 HydrophobicContact CG-CD1 3.97Å; R66-Y85 HydrophobicContact CG-CE1 3.58Å; R66-Y85 HydrophobicContact CG-CE2 4.36Å; E83-Y85 HydrophobicContact CB-CD2 4.38Å; E83-Y85 HydrophobicContact CB-CE2 3.53Å; E83-Y85 PolarHBondContact OE1-OH 2.95Å; Y85-T92 WeakPolarHBondContact O-CA 3.32Å; Y85-R93 HydrophobicContact CD2-CB 4.38Å; Y85-R93 PolarHBondContact N-O 3.39Å; Y85-R93 PolarHBondContact O-N 2.88Å; Y85-K95 HydrophobicContact CE2-CD 4.24Å; Y85-T118 HydrophobicContact CD1-CG2 4.12Å
86	R	93.6	Very high	96.5	Very high	39 Å²	39	34.2 Å²	34.2	15%	0.147	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.1	160.2	-177.3	-166.5	164.3	164.9	-1.6	107.7	T118 E119 P120 L121 L135 G136	R86-T118 CarbonylContact O-C 3.58Å; R86-T118 WeakPolarHBondContact O-CA 3.24Å; R86-E119 HydrophobicContact CG-CB 3.92Å; R86-E119 IonicContact CZ-OE2 3.57Å; R86-E119 IonicContact NE-OE2 3.8Å; R86-E119 PolarHBondContact NE-OE2 3.34Å; R86-E119 IonicContact NH2-OE2 2.67Å; R86-E119 PolarHBondContact NH2-OE2 2.78Å; R86-E119 PolarHBondContact O-N 3.34Å; R86-P120 WeakPolarHBondContact CD-O 3.45Å; R86-P120 PolarHBondContact NH1-O 2.88Å; R86-L121 HydrophobicContact CB-CD1 4.08Å; R86-L135 HydrophobicContact CB-CD2 4.27Å; R86-L135 HydrophobicContact CG-CD2 4.35Å; R86-G136 VanDerWaalsContact CZ-CA 3.49Å; R86-G136 VanDerWaalsContact NH2-CA 3.27Å; R86-G136 PolarHBondContact NH2-O 2.87Å
87	L	95.1	Very high	96.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	157.8	-178.9	-55.4	-179.4	0	0	0	110.5	I91 R93 P116 P117 T118 F374	L87-I91 HydrophobicContact CB-CB 4.04Å; L87-I91 HydrophobicContact CB-CG2 4.37Å; L87-I91 HydrophobicContact CD1-CG2 3.99Å; L87-I91 PolarHBondContact N-O 2.63Å; L87-R93 HydrophobicContact CD1-CB 3.78Å; L87-R93 HydrophobicContact CG-CB 4.31Å; L87-P116 HydrophobicContact CD1-CB 3.72Å; L87-P116 HydrophobicContact CD1-CG 4.23Å; L87-P116 HydrophobicContact CD2-CB 4.1Å; L87-P116 HydrophobicContact CG-CB 4.36Å; L87-P117 CarbonylContact C-O 3.49Å; L87-P117 WeakPolarHBondContact CA-O 3.07Å; L87-T118 HydrophobicContact CD2-CG2 3.79Å; L87-F374 HydrophobicContact CD1-CD1 3.77Å; L87-F374 HydrophobicContact CD1-CE1 3.71Å
88	Q	93.2	Very high	96.8	Very high	104 Å²	104	27.3 Å²	27.3	49%	0.486	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	147.7	172.7	-76.7	-173.5	-12.6	0	0	111.4	P117 E119	Q88-P117 HydrophobicContact CB-CB 4.28Å; Q88-P117 VanDerWaalsContact CD-CB 3.49Å; Q88-P117 HydrophobicContact CG-CB 3.87Å; Q88-P117 PolarHBondContact N-O 3.26Å; Q88-E119 HydrophobicContact CB-CG 4.42Å; Q88-E119 HydrophobicContact CG-CG 3.68Å
89	G	92.3	Very high	96.8	Very high	45 Å²	45	28.3 Å²	28.3	46%	0.464	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	24.4	175.9	0	0	0	0	0	114.7	Q387	G89-Q387 VanDerWaalsContact O-CD 3.31Å; G89-Q387 WeakPolarHBondContact O-CG 3.49Å; G89-Q387 PolarHBondContact O-NE2 2.91Å
90	N	94.3	Very high	96.6	Very high	39 Å²	39	31.4 Å²	31.4	21%	0.209	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	45.6	178.7	-168.8	30.1	0	0	0	113	Q140 L377 G378	N90-Q140 PolarHBondContact OD1-OE1 3.45Å; N90-L377 WeakPolarHBondContact ND2-CB 3.08Å; N90-L377 PolarHBondContact O-N 3.22Å; N90-L377 VanDerWaalsContact O-N 3.16Å; N90-G378 PolarHBondContact ND2-O 2.88Å
91	I	97	Very high	96.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.2	179	-55.5	170.1	0	0	0	109.4	L87 F374 L375 M376 Q387 L391	L87-I91 HydrophobicContact CB-CB 4.04Å; L87-I91 HydrophobicContact CB-CG2 4.37Å; L87-I91 HydrophobicContact CD1-CG2 3.99Å; L87-I91 PolarHBondContact N-O 2.63Å; I91-F374 HydrophobicContact CG2-CB 4.17Å; I91-F374 HydrophobicContact CG2-CD1 4.12Å; I91-L375 VanDerWaalsContact CA-O 3.3Å; I91-L375 WeakPolarHBondContact CA-O 3.36Å; I91-M376 HydrophobicContact CG1-CG 4.47Å; I91-Q387 HydrophobicContact CD1-CB 3.77Å; I91-Q387 HydrophobicContact CD1-CG 3.97Å; I91-Q387 HydrophobicContact CG1-CB 3.95Å; I91-Q387 HydrophobicContact CG1-CG 3.76Å; I91-L391 HydrophobicContact CD1-CD1 4.31Å; I91-L391 HydrophobicContact CD1-CD2 4.34Å; I91-L391 HydrophobicContact CD1-CG 4.26Å
92	T	96.9	Very high	96.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.3	171.2	-60.5	0	0	0	0	109.5	L84 Y85 V94 L135 I153 F374 L375	L84-T92 HydrophobicContact CD1-CG2 3.51Å; Y85-T92 WeakPolarHBondContact O-CA 3.32Å; T92-V94 HydrophobicContact CG2-CG2 4.44Å; T92-L135 HydrophobicContact CG2-CD2 4.46Å; T92-I153 HydrophobicContact CG2-CD1 4.42Å; T92-F374 CarbonylContact O-C 3.45Å; T92-F374 WeakPolarHBondContact O-CA 3.35Å; T92-L375 HydrophobicContact CG2-CD1 4.45Å; T92-L375 PolarHBondContact N-O 2.96Å; T92-L375 PolarHBondContact O-N 3.08Å
93	R	98.4	Very high	95.9	Very high	11 Å²	11	40 Å²	40	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.8	175.1	-172.2	-170.8	-171.2	173.3	4.9	110.1	L84 Y85 L87 K95 E115 D372 V373 F374	L84-R93 WeakPolarHBondContact CA-O 3.32Å; Y85-R93 HydrophobicContact CD2-CB 4.38Å; Y85-R93 PolarHBondContact N-O 3.39Å; Y85-R93 PolarHBondContact O-N 2.88Å; L87-R93 HydrophobicContact CD1-CB 3.78Å; L87-R93 HydrophobicContact CG-CB 4.31Å; R93-K95 HydrophobicContact CG-CG 4.41Å; R93-E115 IonicContact NH1-OE1 3.48Å; R93-E115 PolarHBondContact NH1-OE1 3.03Å; R93-E115 IonicContact NH1-OE2 3.53Å; R93-D372 IonicContact CZ-OD1 2.85Å; R93-D372 IonicContact CZ-OD2 2.84Å; R93-D372 IonicContact NE-OD1 3.87Å; R93-D372 PolarHBondContact NE-OD1 2.91Å; R93-D372 IonicContact NE-OD2 3.41Å; R93-D372 IonicContact NH2-OD1 2.71Å; R93-D372 IonicContact NH2-OD2 2.81Å; R93-D372 PolarHBondContact NH2-OD2 3.49Å; R93-V373 CarbonylContact C-O 3.59Å; R93-V373 VanDerWaalsContact CA-O 3.32Å; R93-V373 WeakPolarHBondContact CA-O 3.43Å; R93-F374 HydrophobicContact CB-CD1 3.99Å; R93-F374 HydrophobicContact CB-CE1 4.05Å; R93-F374 VanDerWaalsContact CD-CE1 3.46Å; R93-F374 HydrophobicContact CG-CD1 3.92Å; R93-F374 HydrophobicContact CG-CE1 3.68Å; R93-F374 HydrophobicContact CG-CE2 4.36Å; R93-F374 HydrophobicContact CG-CG 4.37Å; R93-F374 HydrophobicContact CG-CZ 3.92Å
94	V	98.6	Very high	95.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.4	176.9	-177.1	0	0	0	0	108.3	L82 L84 T92 I96 L151 L163 V373 L375	L82-V94 HydrophobicContact CD1-CG1 3.65Å; L84-V94 HydrophobicContact CD1-CG2 3.76Å; T92-V94 HydrophobicContact CG2-CG2 4.44Å; V94-I96 HydrophobicContact CG1-CG1 4.47Å; V94-L151 HydrophobicContact CG1-CD1 3.94Å; V94-L151 HydrophobicContact CG2-CD1 4.08Å; V94-L163 HydrophobicContact CB-CD2 4.46Å; V94-L163 HydrophobicContact CG1-CD2 4.46Å; V94-L163 HydrophobicContact CG2-CD2 4.01Å; V94-V373 HydrophobicContact CB-CG1 3.75Å; V94-V373 HydrophobicContact CG2-CG1 4.47Å; V94-V373 PolarHBondContact N-O 2.64Å; V94-V373 PolarHBondContact O-N 2.61Å; V94-L375 HydrophobicContact CG2-CD1 4.48Å
95	K	98.6	Very high	95.8	Very high	20 Å²	20	43.8 Å²	43.8	9%	0.087	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.3	172.2	-58.6	-177.4	73.5	-172.7	0	110.3	L82 E83 Y85 R93 E107 I370 I371 D372	L82-K95 CarbonylContact C-O 3.49Å; L82-K95 WeakPolarHBondContact CA-O 3.38Å; E83-K95 HydrophobicContact CB-CB 4.25Å; E83-K95 PolarHBondContact N-O 3.38Å; E83-K95 PolarHBondContact O-N 2.79Å; Y85-K95 HydrophobicContact CE2-CD 4.24Å; R93-K95 HydrophobicContact CG-CG 4.41Å; K95-E107 IonicContact NZ-OE1 2.7Å; K95-E107 IonicContact NZ-OE2 3.22Å; K95-E107 PolarHBondContact NZ-OE2 2.97Å; K95-I370 VanDerWaalsContact CE-CD1 3.43Å; K95-I371 CarbonylContact C-O 3.48Å; K95-I371 VanDerWaalsContact CA-O 3.22Å; K95-I371 WeakPolarHBondContact CA-O 3.22Å; K95-D372 HydrophobicContact CG-CB 4.45Å
96	I	98.8	Very high	95.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.2	169.1	-52.2	174.2	0	0	0	108.5	L71 L80 L81 L82 V94 F149 L169 F171 I371	L71-I96 HydrophobicContact CD1-CD1 4.16Å; L71-I96 HydrophobicContact CD1-CG2 4.27Å; L80-I96 HydrophobicContact CB-CG2 3.94Å; L80-I96 HydrophobicContact CD1-CG2 3.74Å; L80-I96 HydrophobicContact CG-CG2 4.44Å; L81-I96 WeakPolarHBondContact O-CA 3.13Å; L82-I96 HydrophobicContact CD1-CD1 4.36Å; L82-I96 HydrophobicContact CD1-CG1 3.83Å; V94-I96 HydrophobicContact CG1-CG1 4.47Å; I96-F149 HydrophobicContact CD1-CE1 4.2Å; I96-L169 HydrophobicContact CD1-CD1 4.19Å; I96-L169 HydrophobicContact CD1-CD2 4.39Å; I96-F171 HydrophobicContact CG2-CD2 4.22Å; I96-F171 HydrophobicContact CG2-CE2 4.32Å; I96-I371 HydrophobicContact CB-CB 3.97Å; I96-I371 HydrophobicContact CB-CD1 4.27Å; I96-I371 HydrophobicContact CB-CG1 4.48Å; I96-I371 HydrophobicContact CB-CG2 4.45Å; I96-I371 HydrophobicContact CD1-CD1 4.22Å; I96-I371 HydrophobicContact CD1-CG2 4.5Å; I96-I371 HydrophobicContact CG1-CB 4.49Å; I96-I371 HydrophobicContact CG1-CG2 4.43Å; I96-I371 PolarHBondContact N-O 3.42Å; I96-I371 PolarHBondContact O-N 2.87Å; I96-I371 VanDerWaalsContact O-N 3.17Å
97	N	98.4	Very high	96.1	Very high	29 Å²	29	45.4 Å²	45.4	16%	0.155	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	163.2	178.5	-161.5	-2.8	0	0	0	110.8	L80 L81 I370	L80-N97 CarbonylContact C-O 3.52Å; L80-N97 WeakPolarHBondContact CA-O 3.28Å; L80-N97 WeakPolarHBondContact CB-O 3.28Å; L81-N97 PolarHBondContact N-O 2.89Å; L81-N97 PolarHBondContact O-N 2.99Å; N97-I370 HydrophobicContact CB-CG2 4.05Å; N97-I370 VanDerWaalsContact CG-CG2 3.41Å; N97-I370 WeakPolarHBondContact OD1-CG2 3.24Å
98	E	95.9	Very high	96.3	Very high	16 Å²	16	46.1 Å²	46.1	8%	0.075	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	137	170.7	-63.2	-171.5	-138.1	0	0	110.2	L80 K100 P101 R105 F171 H173 L174	L80-E98 HydrophobicContact CD2-CB 4.47Å; L80-E98 HydrophobicContact CD2-CG 4.06Å; E98-K100 VanDerWaalsContact C-N 3.3Å; E98-K100 PolarHBondContact O-N 2.8Å; E98-P101 HydrophobicContact CB-CB 3.8Å; E98-P101 HydrophobicContact CB-CG 4.3Å; E98-P101 HydrophobicContact CG-CB 4.39Å; E98-R105 IonicContact OE1-CZ 2.75Å; E98-R105 VanDerWaalsContact OE1-CZ 3.23Å; E98-R105 IonicContact OE1-NE 3.64Å; E98-R105 PolarHBondContact OE1-NE 3.01Å; E98-R105 IonicContact OE1-NH2 3.5Å; E98-R105 PolarHBondContact OE1-NH2 2.91Å; E98-F171 HydrophobicContact CG-CD1 4.16Å; E98-F171 HydrophobicContact CG-CE1 3.22Å; E98-F171 HydrophobicContact CG-CZ 3.7Å; E98-H173 WeakPolarHBondContact OE1-CA 3.18Å; E98-L174 PolarHBondContact OE1-N 3.44Å
99	L	95.8	Very high	96.5	Very high	56 Å²	56	43.8 Å²	43.8	29%	0.293	24%	0.235	S	C	.	.	S	Bend	trans	-67.5	-34.4	179	-175.6	66.2	0	0	0	111.9	Q70 R79 L81	Q70-L99 HydrophobicContact CG-CD2 4.26Å; R79-L99 HydrophobicContact CB-CB 4.18Å; R79-L99 HydrophobicContact CB-CD2 3.92Å; R79-L99 WeakPolarHBondContact O-CB 3.14Å; R79-L99 PolarHBondContact O-N 2.85Å; R79-L99 VanDerWaalsContact O-N 3.08Å; L81-L99 HydrophobicContact CB-CD1 4.21Å; L81-L99 HydrophobicContact CD1-CD1 4.49Å
100	K	93.7	Very high	96.8	Very high	184 Å²	184	44.4 Å²	44.4	80%	0.8	23%	0.228	S	C	*	.	S	Bend	trans	-145	73.2	-178.5	-65.8	-175.7	-178.2	-179	0	110	E98	E98-K100 VanDerWaalsContact C-N 3.3Å; E98-K100 PolarHBondContact O-N 2.8Å
101	P	93.3	Very high	97	Very high	44 Å²	44	42.6 Å²	42.6	29%	0.286	22%	0.218	S	C	.	.			trans	-72.4	157	-178.2	31	-34.3	0	0	0	111.7	E98 K103 L174	E98-P101 HydrophobicContact CB-CB 3.8Å; E98-P101 HydrophobicContact CB-CG 4.3Å; E98-P101 HydrophobicContact CG-CB 4.39Å; P101-K103 VanDerWaalsContact C-N 3.3Å; P101-K103 VanDerWaalsContact CB-O 3.24Å; P101-K103 WeakPolarHBondContact CB-O 3.46Å; P101-K103 PolarHBondContact O-N 2.82Å; P101-L174 HydrophobicContact CB-CD1 4.37Å
102	L	93.3	Very high	97.1	Very high	110 Å²	110	43.8 Å²	43.8	58%	0.576	22%	0.224	S	C	*	.	S	Bend	trans	-64.4	-34.7	174.3	-65.7	179.5	0	0	0	112.8	L174 M176	L102-L174 HydrophobicContact CB-CB 4.17Å; L102-L174 HydrophobicContact CD1-CB 4.17Å; L102-L174 WeakPolarHBondContact CD1-O 3.34Å; L102-L174 HydrophobicContact CG-CB 4.26Å; L102-M176 HydrophobicContact CD1-CG 3.79Å
103	K	93.9	Very high	97.2	Very high	78 Å²	78	47.4 Å²	47.4	34%	0.339	24%	0.243	S	C	.	.	S	Bend	trans	-143	154.3	169.2	61	168.4	-176.5	170.8	0	108.8	P101 R105 L174 S248 E575	P101-K103 VanDerWaalsContact C-N 3.3Å; P101-K103 VanDerWaalsContact CB-O 3.24Å; P101-K103 WeakPolarHBondContact CB-O 3.46Å; P101-K103 PolarHBondContact O-N 2.82Å; K103-R105 PolarHBondContact O-N 2.83Å; K103-L174 HydrophobicContact CG-CD1 3.67Å; K103-L174 WeakPolarHBondContact O-CD1 3.48Å; K103-S248 WeakPolarHBondContact CE-OG 3.48Å; K103-S248 PolarHBondContact NZ-OG 2.87Å; K103-E575 IonicContact NZ-OE2 2.98Å; K103-E575 PolarHBondContact NZ-OE2 3.14Å
104	P	96.9	Very high	97.1	Very high	93 Å²	93	54.8 Å²	54.8	60%	0.604	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-52	141.8	176.1	-26.1	35.5	0	0	0	112	W574	P104-W574 HydrophobicContact CB-CH2 4.09Å; P104-W574 WeakPolarHBondContact O-CH2 3.43Å; P104-W574 WeakPolarHBondContact O-CZ3 3.38Å
105	R	97.9	Very high	97	Very high	14 Å²	14	60.7 Å²	60.7	5%	0.053	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-86.7	149.7	169	-75.8	179.4	167.9	-91.8	-6.8	109.7	E98 K103 E107 F171 E172 S251 G369 I370	E98-R105 IonicContact OE1-CZ 2.75Å; E98-R105 VanDerWaalsContact OE1-CZ 3.23Å; E98-R105 IonicContact OE1-NE 3.64Å; E98-R105 PolarHBondContact OE1-NE 3.01Å; E98-R105 IonicContact OE1-NH2 3.5Å; E98-R105 PolarHBondContact OE1-NH2 2.91Å; K103-R105 PolarHBondContact O-N 2.83Å; R105-E107 PolarHBondContact O-N 2.79Å; R105-F171 VanDerWaalsContact CZ-CE1 3.49Å; R105-E172 PolarHBondContact NH2-O 3.17Å; R105-S251 PolarHBondContact NH1-O 3.48Å; R105-G369 WeakPolarHBondContact CD-O 3.33Å; R105-G369 PolarHBondContact NH1-O 2.87Å; R105-I370 HydrophobicContact CB-CG2 3.6Å
106	Y	98.4	Very high	96.9	Very high	16 Å²	16	60.3 Å²	60.3	6%	0.063	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-66.5	131.1	-179.3	-165.7	-112.6	0	0	0	111.2	V108 P109 A327 G369 I370 W574 D578 V579 L582	Y106-V108 HydrophobicContact CD1-CG2 4.39Å; Y106-V108 HydrophobicContact CE1-CG2 4.22Å; Y106-P109 WeakPolarHBondContact OH-CD 3.31Å; Y106-A327 HydrophobicContact CE1-CB 4.16Å; Y106-G369 VanDerWaalsContact O-CA 3.28Å; Y106-G369 WeakPolarHBondContact O-CA 3.41Å; Y106-I370 PolarHBondContact O-N 3.44Å; Y106-W574 AromaticContact CD2-CD2 3.44Å; Y106-W574 HydrophobicContact CD2-CD2 3.44Å; Y106-W574 VanDerWaalsContact CD2-CD2 3.44Å; Y106-W574 AromaticContact CD2-CE2 3.52Å; Y106-W574 AromaticContact CD2-CE3 3.75Å; Y106-W574 HydrophobicContact CD2-CE3 3.75Å; Y106-W574 AromaticContact CD2-CG 3.81Å; Y106-W574 HydrophobicContact CD2-CG 3.81Å; Y106-W574 HydrophobicContact CD2-CH2 4.18Å; Y106-W574 AromaticContact CD2-CZ2 3.91Å; Y106-W574 HydrophobicContact CD2-CZ2 3.91Å; Y106-W574 HydrophobicContact CD2-CZ3 4.11Å; Y106-W574 AromaticContact CD2-NE1 3.88Å; Y106-W574 AromaticContact CE2-CD1 3.82Å; Y106-W574 HydrophobicContact CE2-CD2 4.02Å; Y106-W574 AromaticContact CE2-CE2 3.99Å; Y106-W574 AromaticContact CE2-CG 3.93Å; Y106-W574 HydrophobicContact CE2-CG 3.93Å; Y106-W574 AromaticContact CE2-NE1 3.84Å; Y106-W574 HydrophobicContact CG-CD2 4.45Å; Y106-W574 HydrophobicContact CG-CE3 4.37Å; Y106-D578 HydrophobicContact CD1-CB 4.35Å; Y106-D578 WeakPolarHBondContact CD1-O 3.45Å; Y106-D578 HydrophobicContact CD2-CB 4.39Å; Y106-D578 WeakPolarHBondContact CE1-O 3.37Å; Y106-D578 HydrophobicContact CG-CB 4.01Å; Y106-V579 HydrophobicContact CD2-CG1 4.46Å; Y106-V579 HydrophobicContact CE1-CG1 4.07Å; Y106-V579 HydrophobicContact CE2-CG1 3.79Å; Y106-L582 HydrophobicContact CE1-CD1 3.88Å; Y106-L582 WeakPolarHBondContact OH-CD1 3.14Å
107	E	98.5	Very high	96.8	Very high	87 Å²	87	62.7 Å²	62.7	41%	0.407	31%	0.314	S	S	.	.			trans	-117.7	127.5	168.6	-60.3	-164.8	-153.4	0	0	107.2	K95 R105 P109 I370	K95-E107 IonicContact NZ-OE1 2.7Å; K95-E107 IonicContact NZ-OE2 3.22Å; K95-E107 PolarHBondContact NZ-OE2 2.97Å; R105-E107 PolarHBondContact O-N 2.79Å; E107-P109 VanDerWaalsContact O-CD 3.23Å; E107-P109 WeakPolarHBondContact O-CD 3.28Å; E107-I370 HydrophobicContact CG-CD1 3.68Å; E107-I370 HydrophobicContact CG-CG1 4.05Å; E107-I370 HydrophobicContact CG-CG2 4.22Å
108	V	98.7	Very high	96.6	Very high	17 Å²	17	63.9 Å²	63.9	10%	0.103	32%	0.322	C	S	.	.			trans	-68.3	117	-169.9	176.6	0	0	0	0	111.3	Y106 V111 L325 A327 L582 F613	Y106-V108 HydrophobicContact CD1-CG2 4.39Å; Y106-V108 HydrophobicContact CE1-CG2 4.22Å; V108-V111 HydrophobicContact CG1-CB 4.02Å; V108-V111 HydrophobicContact CG1-CG2 3.5Å; V108-L325 HydrophobicContact CB-CD1 3.69Å; V108-L325 HydrophobicContact CB-CD2 4.45Å; V108-L325 HydrophobicContact CB-CG 3.85Å; V108-L325 HydrophobicContact CG1-CD1 3.6Å; V108-L325 HydrophobicContact CG1-CG 4.32Å; V108-L325 HydrophobicContact CG2-CD1 4.17Å; V108-L325 HydrophobicContact CG2-CG 4.24Å; V108-A327 HydrophobicContact CG2-CB 3.8Å; V108-L582 HydrophobicContact CG1-CD1 4.01Å; V108-L582 HydrophobicContact CG1-CD2 3.93Å; V108-L582 HydrophobicContact CG1-CG 4.5Å; V108-F613 HydrophobicContact CG1-CE1 4.44Å
109	P	97.8	Very high	96.5	Very high	54 Å²	54	65.5 Å²	65.5	35%	0.351	33%	0.329	S	S	.	.			trans	-89.3	171.7	175.3	34.5	-28.2	0	0	0	111.8	Y106 E107 V111	Y106-P109 WeakPolarHBondContact OH-CD 3.31Å; E107-P109 VanDerWaalsContact O-CD 3.23Å; E107-P109 WeakPolarHBondContact O-CD 3.28Å; P109-V111 PolarHBondContact O-N 2.81Å
110	D	98	Very high	96.2	Very high	59 Å²	59	66.7 Å²	66.7	32%	0.316	34%	0.34	S	S	.	.	S	Bend	trans	59	-8.1	170.3	-62.6	-68.3	0	0	0	118.1	R527 Y586 R589 R618	D110-R527 IonicContact OD2-NH2 3.32Å; D110-Y586 HydrophobicContact CB-CE1 3.79Å; D110-Y586 VanDerWaalsContact OD2-CE1 3.31Å; D110-Y586 WeakPolarHBondContact OD2-CE1 3.4Å; D110-Y586 PolarHBondContact OD2-OH 3.06Å; D110-R589 VanDerWaalsContact CG-NH1 3.3Å; D110-R589 IonicContact OD1-CZ 3.26Å; D110-R589 IonicContact OD1-NH1 2.84Å; D110-R589 PolarHBondContact OD1-NH1 2.82Å; D110-R589 IonicContact OD2-NH1 3.7Å; D110-R618 PolarHBondContact O-NH2 3.12Å
111	V	98.7	Very high	96	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-78.7	-50.5	176.2	170.2	0	0	0	0	110.6	V108 P109 I113 F323 L325 T392 L582 F613 A614 R618	V108-V111 HydrophobicContact CG1-CB 4.02Å; V108-V111 HydrophobicContact CG1-CG2 3.5Å; P109-V111 PolarHBondContact O-N 2.81Å; V111-I113 PolarHBondContact O-N 3.31Å; V111-F323 HydrophobicContact CG1-CZ 3.9Å; V111-L325 HydrophobicContact CB-CD1 4.04Å; V111-L325 HydrophobicContact CG1-CD1 3.77Å; V111-L325 HydrophobicContact CG2-CD1 4.47Å; V111-T392 HydrophobicContact CG1-CG2 4.13Å; V111-L582 HydrophobicContact CG2-CD2 3.62Å; V111-F613 HydrophobicContact CG1-CE1 4.49Å; V111-F613 HydrophobicContact CG2-CD1 3.7Å; V111-F613 HydrophobicContact CG2-CE1 3.84Å; V111-A614 HydrophobicContact CG1-CB 3.92Å; V111-A614 WeakPolarHBondContact CG1-O 3.38Å; V111-R618 PolarHBondContact O-NH1 3.43Å
112	L	98.8	Very high	95.9	Very high	27 Å²	27	59 Å²	59	14%	0.141	31%	0.311	C	S	.	.	S	Bend	trans	-68.2	127.3	171.5	-60.7	178.2	0	0	0	109.3	R114 F323 L325 F374 L391	L112-R114 PolarHBondContact O-N 2.99Å; L112-F323 HydrophobicContact CD2-CE1 4.31Å; L112-L325 HydrophobicContact CD1-CD2 3.99Å; L112-L325 HydrophobicContact CD2-CD2 4.28Å; L112-L325 HydrophobicContact CG-CD2 3.96Å; L112-F374 HydrophobicContact CD1-CE2 4.47Å; L112-F374 HydrophobicContact CD1-CZ 3.82Å; L112-F374 HydrophobicContact CD2-CE2 4.18Å; L112-F374 HydrophobicContact CD2-CZ 3.88Å; L112-F374 HydrophobicContact CG-CZ 4.48Å; L112-L391 CarbonylContact C-O 3.57Å; L112-L391 VanDerWaalsContact CA-O 3.27Å; L112-L391 WeakPolarHBondContact CA-O 3.38Å; L112-L391 HydrophobicContact CD2-CB 3.99Å
113	I	98.1	Very high	95.9	Very high	79 Å²	79	57.1 Å²	57.1	41%	0.405	30%	0.301	S	S	.	.	S	Bend	trans	-70	-21.3	-178.3	61.5	175.3	0	0	0	112.8	V111 L391 T392	V111-I113 PolarHBondContact O-N 3.31Å; I113-L391 PolarHBondContact N-O 3.01Å; I113-T392 VanDerWaalsContact CG2-C 3.48Å
114	R	96.8	Very high	95.8	Very high	165 Å²	165	57.5 Å²	57.5	62%	0.623	31%	0.306	S	S	*	.	S	Bend	trans	-166.6	166.8	173.5	62.2	-169.2	168.1	-173.7	-3.3	109	L112 P116	L112-R114 PolarHBondContact O-N 2.99Å; R114-P116 VanDerWaalsContact O-CD 3.31Å; R114-P116 WeakPolarHBondContact O-CD 3.14Å
115	E	96.9	Very high	95.7	Very high	126 Å²	126	56.2 Å²	56.2	59%	0.589	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-61.5	123.2	168.4	-170.7	58.5	-147	0	0	109.5	R93	R93-E115 IonicContact NH1-OE1 3.48Å; R93-E115 PolarHBondContact NH1-OE1 3.03Å; R93-E115 IonicContact NH1-OE2 3.53Å
116	P	96.9	Very high	95.6	Very high	11 Å²	11	60.1 Å²	60.1	7%	0.071	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-63.8	133.6	-175.4	-27.4	38.3	0	0	0	112.3	L87 R114 T118 F374 L391	L87-P116 HydrophobicContact CD1-CB 3.72Å; L87-P116 HydrophobicContact CD1-CG 4.23Å; L87-P116 HydrophobicContact CD2-CB 4.1Å; L87-P116 HydrophobicContact CG-CB 4.36Å; R114-P116 VanDerWaalsContact O-CD 3.31Å; R114-P116 WeakPolarHBondContact O-CD 3.14Å; P116-T118 PolarHBondContact O-N 3.15Å; P116-F374 HydrophobicContact CG-CE1 4.06Å; P116-L391 HydrophobicContact CB-CD2 3.94Å; P116-L391 HydrophobicContact CG-CD2 3.53Å
117	P	96	Very high	95.3	Very high	52 Å²	52	63.8 Å²	63.8	34%	0.338	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-59.3	133.6	176.6	-23.8	33.8	0	0	0	111.7	L87 Q88	L87-P117 CarbonylContact C-O 3.49Å; L87-P117 WeakPolarHBondContact CA-O 3.07Å; Q88-P117 HydrophobicContact CB-CB 4.28Å; Q88-P117 VanDerWaalsContact CD-CB 3.49Å; Q88-P117 HydrophobicContact CG-CB 3.87Å; Q88-P117 PolarHBondContact N-O 3.26Å
118	T	95.1	Very high	94.9	Very high	53 Å²	53	68.4 Å²	68.4	33%	0.325	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-90.3	155.1	179.5	51.3	0	0	0	0	111.9	T65 Y85 R86 L87 P116	T65-T118 WeakPolarHBondContact CB-OG1 3.19Å; T65-T118 VanDerWaalsContact CG2-OG1 3.27Å; T65-T118 WeakPolarHBondContact CG2-OG1 3.24Å; Y85-T118 HydrophobicContact CD1-CG2 4.12Å; R86-T118 CarbonylContact O-C 3.58Å; R86-T118 WeakPolarHBondContact O-CA 3.24Å; L87-T118 HydrophobicContact CD2-CG2 3.79Å; P116-T118 PolarHBondContact O-N 3.15Å
119	E	92.6	Very high	94.6	Very high	50 Å²	50	73.5 Å²	73.5	23%	0.234	39%	0.387	C	S	.	.			trans	-120.3	160.4	172.4	-74.1	-170.6	171.1	0	0	111.6	R86 Q88 L121	R86-E119 HydrophobicContact CG-CB 3.92Å; R86-E119 IonicContact CZ-OE2 3.57Å; R86-E119 IonicContact NE-OE2 3.8Å; R86-E119 PolarHBondContact NE-OE2 3.34Å; R86-E119 IonicContact NH2-OE2 2.67Å; R86-E119 PolarHBondContact NH2-OE2 2.78Å; R86-E119 PolarHBondContact O-N 3.34Å; Q88-E119 HydrophobicContact CB-CG 4.42Å; Q88-E119 HydrophobicContact CG-CG 3.68Å; E119-L121 PolarHBondContact O-N 3Å
120	P	90.9	Very high	94.5	Very high	81 Å²	81	71.3 Å²	71.3	53%	0.526	38%	0.375	S	S	.	.			trans	-59.3	131.1	-178.8	-27.1	36.2	0	0	0	114.9	N64 R86	N64-P120 CarbonylContact O-C 3.55Å; N64-P120 WeakPolarHBondContact O-CA 3.37Å; R86-P120 WeakPolarHBondContact CD-O 3.45Å; R86-P120 PolarHBondContact NH1-O 2.88Å
121	L	89.1	Confident	94.4	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.026	36%	0.36	C	S	.	.			trans	-111.6	119.6	173.8	-166.3	75.5	0	0	0	108.6	L62 N64 L67 R86 E119 L133 S134 L135	L62-L121 HydrophobicContact CD1-CB 4.47Å; L62-L121 HydrophobicContact CD1-CD2 3.79Å; L62-L121 HydrophobicContact CD1-CG 4.26Å; N64-L121 PolarHBondContact O-N 3.16Å; L67-L121 HydrophobicContact CB-CD2 3.82Å; R86-L121 HydrophobicContact CB-CD1 4.08Å; E119-L121 PolarHBondContact O-N 3Å; L121-L133 HydrophobicContact CD1-CB 4.05Å; L121-L133 HydrophobicContact CD2-CD1 4.06Å; L121-L133 HydrophobicContact CG-CB 4.19Å; L121-L133 HydrophobicContact CG-CD1 4.49Å; L121-S134 WeakPolarHBondContact CD1-O 3.43Å; L121-L135 HydrophobicContact CD1-CD2 3.96Å
122	S	89.9	Confident	94.3	Very high	62 Å²	62	69.7 Å²	69.7	43%	0.434	37%	0.367	S	S	.	.			trans	-115.5	138.5	-178.4	-59.7	0	0	0	0	111.3	L124 L133 S134	S122-L124 PolarHBondContact O-N 3.22Å; S122-L133 CarbonylContact O-C 3.54Å; S122-L133 VanDerWaalsContact O-CA 3.29Å; S122-L133 WeakPolarHBondContact O-CA 3.43Å; S122-S134 WeakPolarHBondContact CB-OG 3.45Å; S122-S134 PolarHBondContact N-OG 3Å; S122-S134 PolarHBondContact O-N 3.47Å; S122-S134 PolarHBondContact O-OG 2.56Å
123	L	93.3	Very high	94.1	Very high	71 Å²	71	68.4 Å²	68.4	37%	0.372	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.8	171.1	-173	66.9	0	0	0	110.1	M60 L62 Q126 V131 L133	M60-L123 HydrophobicContact CE-CD2 4.5Å; L62-L123 HydrophobicContact CD2-CB 3.76Å; L123-Q126 HydrophobicContact CD1-CB 4.35Å; L123-Q126 HydrophobicContact CD2-CB 4.29Å; L123-V131 HydrophobicContact CD1-CB 4.06Å; L123-V131 HydrophobicContact CD1-CG1 4.33Å; L123-L133 HydrophobicContact CB-CD2 4.32Å; L123-L133 HydrophobicContact CD1-CD2 3.76Å
124	L	93.3	Very high	93.7	Very high	86 Å²	86	65.7 Å²	65.7	45%	0.45	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-41.6	178	-60.4	-179.4	0	0	0	111.5	S122 V132 R141	S122-L124 PolarHBondContact O-N 3.22Å; L124-V132 HydrophobicContact CB-CB 4.47Å; L124-V132 HydrophobicContact CB-CG1 4.32Å; L124-V132 WeakPolarHBondContact CB-O 3.46Å; L124-V132 HydrophobicContact CD1-CG1 4.29Å; L124-V132 PolarHBondContact N-O 3.43Å; L124-R141 HydrophobicContact CD1-CG 3.92Å
125	S	94.1	Very high	93	Very high	65 Å²	65	57.9 Å²	57.9	46%	0.455	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	153	174.9	60.4	0	0	0	0	111.2	V131 V132	S125-V131 WeakPolarHBondContact O-CA 3.4Å; S125-V132 PolarHBondContact N-O 3.09Å; S125-V132 PolarHBondContact O-N 2.7Å; S125-V132 WeakPolarHBondContact OG-CB 3.15Å; S125-V132 VanDerWaalsContact OG-CG2 3.28Å; S125-V132 WeakPolarHBondContact OG-CG2 3.35Å
126	Q	94.8	Very high	91.7	Very high	97 Å²	97	53.2 Å²	53.2	45%	0.453	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	134.6	174.6	171.6	169.1	14.6	0	0	108.9	L123 V131	L123-Q126 HydrophobicContact CD1-CB 4.35Å; L123-Q126 HydrophobicContact CD2-CB 4.29Å; Q126-V131 HydrophobicContact CB-CG1 3.9Å; Q126-V131 HydrophobicContact CG-CG1 3.69Å
127	D	93.4	Very high	90.1	Very high	93 Å²	93	55.5 Å²	55.5	50%	0.497	32%	0.324	S	S	.	.			trans	-138.8	-169.2	170.5	66.4	22.8	0	0	0	110.5	L57 N129 G130	L57-D127 VanDerWaalsContact CD1-O 3.31Å; L57-D127 WeakPolarHBondContact CD1-O 3.42Å; D127-N129 PolarHBondContact O-N 2.9Å; D127-N129 WeakPolarHBondContact OD1-CA 3.22Å; D127-N129 WeakPolarHBondContact OD1-CB 3.39Å; D127-N129 PolarHBondContact OD1-N 2.76Å; D127-G130 PolarHBondContact N-O 3.22Å; D127-G130 PolarHBondContact OD1-N 2.83Å
128	E	90.9	Very high	88.8	Confident	184 Å²	184	62.7 Å²	62.7	86%	0.86	35%	0.353	S	S	*	.	S	Bend	trans	-70	-19.3	179.4	-61.9	-177.4	175	0	0	113.3
129	N	92.3	Very high	88.3	Confident	123 Å²	123	62.4 Å²	62.4	66%	0.658	35%	0.353	S	S	*	.	S	Bend	trans	-95.2	-20.6	-176.1	-59.6	-52.3	0	0	0	112.7	D127 A146	D127-N129 PolarHBondContact O-N 2.9Å; D127-N129 WeakPolarHBondContact OD1-CA 3.22Å; D127-N129 WeakPolarHBondContact OD1-CB 3.39Å; D127-N129 PolarHBondContact OD1-N 2.76Å; N129-A146 WeakPolarHBondContact O-CB 3.22Å; N129-A146 PolarHBondContact O-N 2.83Å
130	G	95.4	Very high	88.3	Confident	9 Å²	9	60.3 Å²	60.3	9%	0.093	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	-170.7	-179.2	0	0	0	0	0	115.9	D127 V144	D127-G130 PolarHBondContact N-O 3.22Å; D127-G130 PolarHBondContact OD1-N 2.83Å; G130-V144 CarbonylContact C-O 3.56Å; G130-V144 WeakPolarHBondContact CA-O 3.19Å
131	V	96.2	Very high	88.5	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.7	175.1	-62.1	0	0	0	0	111.7	L57 M60 L123 S125 Q126 L133 V144	L57-V131 HydrophobicContact CD2-CG1 4.28Å; M60-V131 HydrophobicContact CE-CG1 4.33Å; M60-V131 HydrophobicContact SD-CB 4.38Å; M60-V131 HydrophobicContact SD-CG1 3.74Å; M60-V131 HydrophobicContact SD-CG2 4.14Å; L123-V131 HydrophobicContact CD1-CB 4.06Å; L123-V131 HydrophobicContact CD1-CG1 4.33Å; S125-V131 WeakPolarHBondContact O-CA 3.4Å; Q126-V131 HydrophobicContact CB-CG1 3.9Å; Q126-V131 HydrophobicContact CG-CG1 3.69Å; V131-L133 HydrophobicContact CG2-CD1 4.49Å; V131-V144 HydrophobicContact CG2-CB 3.64Å; V131-V144 HydrophobicContact CG2-CG1 4.41Å; V131-V144 HydrophobicContact CG2-CG2 3.78Å; V131-V144 PolarHBondContact N-O 3.33Å; V131-V144 PolarHBondContact O-N 3.31Å
132	V	95.5	Very high	88.8	Confident	24 Å²	24	61.2 Å²	61.2	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.4	175.4	-174.6	0	0	0	0	108.5	L124 S125 R141 V142 I143	L124-V132 HydrophobicContact CB-CB 4.47Å; L124-V132 HydrophobicContact CB-CG1 4.32Å; L124-V132 WeakPolarHBondContact CB-O 3.46Å; L124-V132 HydrophobicContact CD1-CG1 4.29Å; L124-V132 PolarHBondContact N-O 3.43Å; S125-V132 PolarHBondContact N-O 3.09Å; S125-V132 PolarHBondContact O-N 2.7Å; S125-V132 WeakPolarHBondContact OG-CB 3.15Å; S125-V132 VanDerWaalsContact OG-CG2 3.28Å; S125-V132 WeakPolarHBondContact OG-CG2 3.35Å; V132-R141 HydrophobicContact CG1-CB 4.08Å; V132-V142 WeakPolarHBondContact CA-O 3.24Å; V132-I143 HydrophobicContact CG1-CG1 4.29Å; V132-I143 HydrophobicContact CG2-CG1 4.21Å; V132-I143 HydrophobicContact CG2-CG2 4.32Å
133	L	94.2	Very high	89.1	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146	-177.8	-52.7	159.1	0	0	0	109.4	L62 L67 L84 L121 S122 L123 V131 R141 V142 V144	L62-L133 HydrophobicContact CD1-CD2 4.32Å; L62-L133 HydrophobicContact CD2-CD2 4.24Å; L67-L133 HydrophobicContact CB-CD1 4.23Å; L67-L133 HydrophobicContact CD1-CD1 3.98Å; L67-L133 HydrophobicContact CD1-CD2 4.34Å; L67-L133 HydrophobicContact CD2-CD1 3.73Å; L67-L133 HydrophobicContact CG-CD1 4.19Å; L84-L133 HydrophobicContact CD2-CD1 3.8Å; L121-L133 HydrophobicContact CD1-CB 4.05Å; L121-L133 HydrophobicContact CD2-CD1 4.06Å; L121-L133 HydrophobicContact CG-CB 4.19Å; L121-L133 HydrophobicContact CG-CD1 4.49Å; S122-L133 CarbonylContact O-C 3.54Å; S122-L133 VanDerWaalsContact O-CA 3.29Å; S122-L133 WeakPolarHBondContact O-CA 3.43Å; L123-L133 HydrophobicContact CB-CD2 4.32Å; L123-L133 HydrophobicContact CD1-CD2 3.76Å; V131-L133 HydrophobicContact CG2-CD1 4.49Å; L133-R141 CarbonylContact O-C 3.59Å; L133-R141 VanDerWaalsContact O-CA 3.24Å; L133-R141 WeakPolarHBondContact O-CA 3.14Å; L133-R141 WeakPolarHBondContact O-CB 3.35Å; L133-V142 HydrophobicContact CB-CG1 3.67Å; L133-V142 HydrophobicContact CD1-CG1 4.13Å; L133-V142 HydrophobicContact CG-CG1 4.4Å; L133-V142 PolarHBondContact N-O 3.3Å; L133-V142 PolarHBondContact O-N 3.26Å; L133-V144 HydrophobicContact CD1-CG2 4.35Å
134	S	90.6	Very high	89.3	Confident	21 Å²	21	57.5 Å²	57.5	15%	0.147	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.6	174.9	63.8	0	0	0	0	111	L121 S122	L121-S134 WeakPolarHBondContact CD1-O 3.43Å; S122-S134 WeakPolarHBondContact CB-OG 3.45Å; S122-S134 PolarHBondContact N-OG 3Å; S122-S134 PolarHBondContact O-N 3.47Å; S122-S134 PolarHBondContact O-OG 2.56Å
135	L	82.4	Confident	89.5	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	30%	0.302	C	S	.	.			trans	-116.8	129.6	166.7	-70.1	-177.5	0	0	0	108.1	R86 T92 L121 A137 Q140 V142 I153	R86-L135 HydrophobicContact CB-CD2 4.27Å; R86-L135 HydrophobicContact CG-CD2 4.35Å; T92-L135 HydrophobicContact CG2-CD2 4.46Å; L121-L135 HydrophobicContact CD1-CD2 3.96Å; L135-A137 PolarHBondContact O-N 2.95Å; L135-Q140 HydrophobicContact CB-CB 4.27Å; L135-Q140 PolarHBondContact N-O 2.77Å; L135-Q140 CarbonylContact O-C 3.59Å; L135-Q140 VanDerWaalsContact O-C 3.22Å; L135-Q140 WeakPolarHBondContact O-CA 3.19Å; L135-Q140 WeakPolarHBondContact O-CB 3.16Å; L135-V142 HydrophobicContact CD1-CB 3.56Å; L135-V142 HydrophobicContact CD1-CG1 3.96Å; L135-V142 HydrophobicContact CD2-CB 4.43Å; L135-V142 HydrophobicContact CD2-CG1 3.9Å; L135-V142 HydrophobicContact CG-CB 3.88Å; L135-V142 HydrophobicContact CG-CG1 3.71Å; L135-I153 HydrophobicContact CD1-CD1 3.55Å; L135-I153 HydrophobicContact CD1-CG2 4.07Å
136	G	69.1	Low	89.6	Confident	27 Å²	27	52.4 Å²	52.4	28%	0.278	28%	0.283	S	S	.	.	S	Bend	trans	60.3	-132	166.4	0	0	0	0	0	116.5	R86	R86-G136 VanDerWaalsContact CZ-CA 3.49Å; R86-G136 VanDerWaalsContact NH2-CA 3.27Å; R86-G136 PolarHBondContact NH2-O 2.87Å
137	A	63.3	Low	89.6	Confident	60 Å²	60	56.3 Å²	56.3	50%	0.496	29%	0.294	S	S	.	.	S	Bend	trans	-57.2	158.8	-178.6	0	0	0	0	0	112.5	L135 S139 Q140	L135-A137 PolarHBondContact O-N 2.95Å; A137-S139 PolarHBondContact O-N 2.82Å; A137-Q140 PolarHBondContact O-N 3.01Å
138	E	69.4	Low	89.7	Confident	202 Å²	202	54.2 Å²	54.2	94%	0.944	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-24.8	-173.4	-68.1	-170	167.1	0	0	114.7
139	S	84.5	Confident	90.1	Very high	47 Å²	47	45.6 Å²	45.6	33%	0.329	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-13	-179	59.1	0	0	0	0	115.5	A137 G156	A137-S139 PolarHBondContact O-N 2.82Å; S139-G156 PolarHBondContact O-N 3.31Å
140	Q	91.9	Very high	90.3	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.4	-177.1	-92.1	-174.8	18	0	0	112.4	N90 L135 A137 V154 E155	N90-Q140 PolarHBondContact OD1-OE1 3.45Å; L135-Q140 HydrophobicContact CB-CB 4.27Å; L135-Q140 PolarHBondContact N-O 2.77Å; L135-Q140 CarbonylContact O-C 3.59Å; L135-Q140 VanDerWaalsContact O-C 3.22Å; L135-Q140 WeakPolarHBondContact O-CA 3.19Å; L135-Q140 WeakPolarHBondContact O-CB 3.16Å; A137-Q140 PolarHBondContact O-N 3.01Å; Q140-V154 CarbonylContact C-O 3.58Å; Q140-V154 VanDerWaalsContact CA-O 3.26Å; Q140-V154 WeakPolarHBondContact CA-O 3.02Å; Q140-E155 HydrophobicContact CG-CB 3.72Å; Q140-E155 HydrophobicContact CG-CG 3.72Å; Q140-E155 WeakPolarHBondContact CG-OE1 3.34Å; Q140-E155 PolarHBondContact NE2-OE1 3.41Å
141	R	94.4	Very high	90.4	Very high	105 Å²	105	42.1 Å²	42.1	40%	0.396	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	155.8	-174.4	-47.3	174.1	-171.4	-153.4	-4.7	110.5	L124 V132 L133 V154	L124-R141 HydrophobicContact CD1-CG 3.92Å; V132-R141 HydrophobicContact CG1-CB 4.08Å; L133-R141 CarbonylContact O-C 3.59Å; L133-R141 VanDerWaalsContact O-CA 3.24Å; L133-R141 WeakPolarHBondContact O-CA 3.14Å; L133-R141 WeakPolarHBondContact O-CB 3.35Å; R141-V154 HydrophobicContact CB-CG2 3.7Å; R141-V154 HydrophobicContact CG-CG2 4.37Å; R141-V154 PolarHBondContact N-O 2.81Å; R141-V154 PolarHBondContact O-N 3.1Å
142	V	95.8	Very high	90.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.3	163.6	55	0	0	0	0	109.3	L84 V132 L133 L135 L151 D152 I153	L84-V142 HydrophobicContact CD2-CG1 3.84Å; L84-V142 HydrophobicContact CD2-CG2 4.19Å; V132-V142 WeakPolarHBondContact CA-O 3.24Å; L133-V142 HydrophobicContact CB-CG1 3.67Å; L133-V142 HydrophobicContact CD1-CG1 4.13Å; L133-V142 HydrophobicContact CG-CG1 4.4Å; L133-V142 PolarHBondContact N-O 3.3Å; L133-V142 PolarHBondContact O-N 3.26Å; L135-V142 HydrophobicContact CD1-CB 3.56Å; L135-V142 HydrophobicContact CD1-CG1 3.96Å; L135-V142 HydrophobicContact CD2-CB 4.43Å; L135-V142 HydrophobicContact CD2-CG1 3.9Å; L135-V142 HydrophobicContact CG-CB 3.88Å; L135-V142 HydrophobicContact CG-CG1 3.71Å; V142-L151 HydrophobicContact CG2-CD2 4.4Å; V142-D152 CarbonylContact C-O 3.55Å; V142-D152 VanDerWaalsContact CA-O 3.31Å; V142-D152 WeakPolarHBondContact CA-O 3.39Å; V142-I153 HydrophobicContact CB-CD1 3.91Å; V142-I153 HydrophobicContact CG2-CD1 3.8Å
143	I	96.8	Very high	90.6	Very high	56 Å²	56	41.7 Å²	41.7	29%	0.287	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.5	176.3	-53.3	175.4	0	0	0	107.2	V132 L151 D152 V154	V132-I143 HydrophobicContact CG1-CG1 4.29Å; V132-I143 HydrophobicContact CG2-CG1 4.21Å; V132-I143 HydrophobicContact CG2-CG2 4.32Å; I143-L151 CarbonylContact O-C 3.54Å; I143-L151 VanDerWaalsContact O-CA 3.3Å; I143-L151 WeakPolarHBondContact O-CA 3.45Å; I143-D152 HydrophobicContact CB-CB 4.27Å; I143-D152 PolarHBondContact N-O 2.93Å; I143-D152 PolarHBondContact O-N 3.31Å; I143-V154 HydrophobicContact CD1-CG1 4.13Å; I143-V154 HydrophobicContact CD1-CG2 4.26Å; I143-V154 HydrophobicContact CG1-CG2 4.45Å
144	V	97.3	Very high	90.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	103.9	173.7	-175.2	0	0	0	0	107.6	L67 L69 L84 G130 V131 L133 F149 L151	L67-V144 HydrophobicContact CD2-CG2 4.3Å; L69-V144 HydrophobicContact CD2-CG1 4.01Å; L84-V144 HydrophobicContact CD2-CG2 4.48Å; G130-V144 CarbonylContact C-O 3.56Å; G130-V144 WeakPolarHBondContact CA-O 3.19Å; V131-V144 HydrophobicContact CG2-CB 3.64Å; V131-V144 HydrophobicContact CG2-CG1 4.41Å; V131-V144 HydrophobicContact CG2-CG2 3.78Å; V131-V144 PolarHBondContact N-O 3.33Å; V131-V144 PolarHBondContact O-N 3.31Å; L133-V144 HydrophobicContact CD1-CG2 4.35Å; V144-F149 HydrophobicContact CG1-CE2 4.23Å; V144-L151 HydrophobicContact CB-CD2 3.88Å; V144-L151 HydrophobicContact CG1-CD2 3.81Å; V144-L151 HydrophobicContact CG2-CD2 3.49Å; V144-L151 VanDerWaalsContact CG2-CD2 3.49Å
145	S	97.8	Very high	90.7	Very high	36 Å²	36	44 Å²	44	25%	0.252	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135.2	172.6	-58.2	0	0	0	0	109.8	F149 R150	S145-F149 VanDerWaalsContact O-CA 3.31Å; S145-F149 WeakPolarHBondContact O-CA 3.12Å; S145-R150 PolarHBondContact N-O 2.93Å; S145-R150 PolarHBondContact O-N 2.97Å; S145-R150 VanDerWaalsContact O-N 3.16Å
146	A	95.7	Very high	90.9	Very high	8 Å²	8	46.2 Å²	46.2	7%	0.066	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-42.3	-173.2	0	0	0	0	0	113.2	R54 A55 L57 N129 F149	R54-A146 CarbonylContact C-O 3.59Å; R54-A146 WeakPolarHBondContact CA-O 3.19Å; R54-A146 VanDerWaalsContact CB-O 3.26Å; R54-A146 WeakPolarHBondContact CB-O 3.13Å; A55-A146 HydrophobicContact CB-CB 4.32Å; A55-A146 PolarHBondContact N-O 3.26Å; L57-A146 HydrophobicContact CD1-CB 4Å; L57-A146 HydrophobicContact CD2-CB 4.11Å; L57-A146 HydrophobicContact CG-CB 3.94Å; N129-A146 WeakPolarHBondContact O-CB 3.22Å; N129-A146 PolarHBondContact O-N 2.83Å; A146-F149 PolarHBondContact O-N 2.87Å
147	R	94.8	Very high	91.7	Very high	179 Å²	179	56.1 Å²	56.1	68%	0.675	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.7	111.4	-174.9	-169.5	178.1	-174.5	-179.8	1.9	113	R54	R54-R147 HydrophobicContact CB-CB 4.31Å; R54-R147 HydrophobicContact CB-CG 4.28Å
148	P	95.9	Very high	93	Very high	49 Å²	49	58.7 Å²	58.7	32%	0.318	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	cis	-62.3	157.9	-12.4	28.3	-34.8	0	0	0	111.4	E50 R150	E50-P148 HydrophobicContact CG-CB 4.31Å; E50-P148 HydrophobicContact CG-CG 4.28Å; P148-R150 PolarHBondContact O-N 3.2Å
149	F	97.9	Very high	94.2	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	127.4	174.3	168.7	-112.4	0	0	0	110.4	Y53 A55 L71 L82 I96 V144 S145 A146 L151 N164 L169	Y53-F149 WeakPolarHBondContact O-CB 3.29Å; Y53-F149 PolarHBondContact O-N 2.68Å; A55-F149 HydrophobicContact CB-CD2 4.08Å; L71-F149 HydrophobicContact CD1-CD1 3.88Å; L71-F149 HydrophobicContact CD1-CD2 4.47Å; L71-F149 HydrophobicContact CD1-CE1 3.74Å; L71-F149 HydrophobicContact CD1-CE2 4.35Å; L71-F149 HydrophobicContact CD1-CG 4.23Å; L71-F149 HydrophobicContact CD1-CZ 3.98Å; L71-F149 HydrophobicContact CD2-CD1 4.38Å; L71-F149 HydrophobicContact CD2-CD2 3.59Å; L71-F149 HydrophobicContact CD2-CE2 3.8Å; L71-F149 HydrophobicContact CD2-CG 3.89Å; L71-F149 HydrophobicContact CD2-CZ 4.28Å; L82-F149 HydrophobicContact CD1-CZ 4.25Å; L82-F149 HydrophobicContact CD2-CE2 3.68Å; L82-F149 HydrophobicContact CD2-CZ 3.89Å; I96-F149 HydrophobicContact CD1-CE1 4.2Å; V144-F149 HydrophobicContact CG1-CE2 4.23Å; S145-F149 VanDerWaalsContact O-CA 3.31Å; S145-F149 WeakPolarHBondContact O-CA 3.12Å; A146-F149 PolarHBondContact O-N 2.87Å; F149-L151 HydrophobicContact CE2-CD2 3.99Å; F149-L151 HydrophobicContact CE2-CG 4.03Å; F149-L151 HydrophobicContact CZ-CD1 4.02Å; F149-L151 HydrophobicContact CZ-CD2 4.25Å; F149-L151 HydrophobicContact CZ-CG 3.83Å; F149-N164 PolarHBondContact O-ND2 3.2Å; F149-L169 HydrophobicContact CD1-CD2 3.71Å; F149-L169 HydrophobicContact CE1-CD2 3.96Å
150	R	97.8	Very high	94.6	Very high	56 Å²	56	50.2 Å²	50.2	21%	0.211	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	146.3	177.1	170.8	179.8	170.3	159.1	0.4	110	S145 P148 D152 S162	S145-R150 PolarHBondContact N-O 2.93Å; S145-R150 PolarHBondContact O-N 2.97Å; S145-R150 VanDerWaalsContact O-N 3.16Å; P148-R150 PolarHBondContact O-N 3.2Å; R150-D152 IonicContact CZ-OD1 2.7Å; R150-D152 VanDerWaalsContact CZ-OD1 3.24Å; R150-D152 IonicContact CZ-OD2 3.92Å; R150-D152 VanDerWaalsContact NE-CG 3.27Å; R150-D152 IonicContact NE-OD1 2.83Å; R150-D152 PolarHBondContact NE-OD1 3.07Å; R150-D152 IonicContact NE-OD2 2.86Å; R150-D152 PolarHBondContact NE-OD2 2.84Å; R150-D152 IonicContact NH2-OD1 2.64Å; R150-D152 PolarHBondContact NH2-OD1 2.81Å; R150-D152 IonicContact NH2-OD2 2.66Å; R150-S162 PolarHBondContact NH2-OG 2.72Å
151	L	98	Very high	94.9	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.3	170.1	-56.9	171.6	0	0	0	109.8	V94 V142 I143 V144 F149 S162 L163	V94-L151 HydrophobicContact CG1-CD1 3.94Å; V94-L151 HydrophobicContact CG2-CD1 4.08Å; V142-L151 HydrophobicContact CG2-CD2 4.4Å; I143-L151 CarbonylContact O-C 3.54Å; I143-L151 VanDerWaalsContact O-CA 3.3Å; I143-L151 WeakPolarHBondContact O-CA 3.45Å; V144-L151 HydrophobicContact CB-CD2 3.88Å; V144-L151 HydrophobicContact CG1-CD2 3.81Å; V144-L151 HydrophobicContact CG2-CD2 3.49Å; V144-L151 VanDerWaalsContact CG2-CD2 3.49Å; F149-L151 HydrophobicContact CE2-CD2 3.99Å; F149-L151 HydrophobicContact CE2-CG 4.03Å; F149-L151 HydrophobicContact CZ-CD1 4.02Å; F149-L151 HydrophobicContact CZ-CD2 4.25Å; F149-L151 HydrophobicContact CZ-CG 3.83Å; L151-S162 CarbonylContact O-C 3.55Å; L151-S162 VanDerWaalsContact O-CA 3.3Å; L151-S162 WeakPolarHBondContact O-CA 3.11Å; L151-L163 HydrophobicContact CB-CB 4.13Å; L151-L163 HydrophobicContact CD1-CD2 4Å; L151-L163 PolarHBondContact N-O 3.48Å; L151-L163 VanDerWaalsContact N-O 3.13Å; L151-L163 PolarHBondContact O-N 3.05Å
152	D	97.8	Very high	95.1	Very high	14 Å²	14	45 Å²	45	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.8	172.8	-64.2	-71.2	0	0	0	109.9	V142 I143 R150 V154 S162	V142-D152 CarbonylContact C-O 3.55Å; V142-D152 VanDerWaalsContact CA-O 3.31Å; V142-D152 WeakPolarHBondContact CA-O 3.39Å; I143-D152 HydrophobicContact CB-CB 4.27Å; I143-D152 PolarHBondContact N-O 2.93Å; I143-D152 PolarHBondContact O-N 3.31Å; R150-D152 IonicContact CZ-OD1 2.7Å; R150-D152 VanDerWaalsContact CZ-OD1 3.24Å; R150-D152 IonicContact CZ-OD2 3.92Å; R150-D152 VanDerWaalsContact NE-CG 3.27Å; R150-D152 IonicContact NE-OD1 2.83Å; R150-D152 PolarHBondContact NE-OD1 3.07Å; R150-D152 IonicContact NE-OD2 2.86Å; R150-D152 PolarHBondContact NE-OD2 2.84Å; R150-D152 IonicContact NH2-OD1 2.64Å; R150-D152 PolarHBondContact NH2-OD1 2.81Å; R150-D152 IonicContact NH2-OD2 2.66Å; D152-V154 HydrophobicContact CB-CG1 4.29Å; D152-S162 WeakPolarHBondContact OD1-CB 3.33Å; D152-S162 PolarHBondContact OD1-OG 2.84Å
153	I	96.3	Very high	95.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.3	170	-50.6	-63.6	0	0	0	107.4	T92 L135 V142 L160 M161 L375 L377	T92-I153 HydrophobicContact CG2-CD1 4.42Å; L135-I153 HydrophobicContact CD1-CD1 3.55Å; L135-I153 HydrophobicContact CD1-CG2 4.07Å; V142-I153 HydrophobicContact CB-CD1 3.91Å; V142-I153 HydrophobicContact CG2-CD1 3.8Å; I153-L160 HydrophobicContact CG2-CB 4.44Å; I153-L160 HydrophobicContact CG2-CD1 4.4Å; I153-L160 PolarHBondContact O-N 3.48Å; I153-M161 HydrophobicContact CB-CB 4.5Å; I153-M161 PolarHBondContact N-O 2.85Å; I153-M161 PolarHBondContact O-N 2.96Å; I153-L375 HydrophobicContact CD1-CD1 4.15Å; I153-L375 HydrophobicContact CG1-CD1 3.96Å; I153-L377 HydrophobicContact CG2-CD1 3.81Å; I153-L377 HydrophobicContact CG2-CD2 4.01Å
154	V	95.1	Very high	95.3	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.085	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149	-175.6	-56.2	0	0	0	0	111.1	Q140 R141 I143 D152 D158 V159	Q140-V154 CarbonylContact C-O 3.58Å; Q140-V154 VanDerWaalsContact CA-O 3.26Å; Q140-V154 WeakPolarHBondContact CA-O 3.02Å; R141-V154 HydrophobicContact CB-CG2 3.7Å; R141-V154 HydrophobicContact CG-CG2 4.37Å; R141-V154 PolarHBondContact N-O 2.81Å; R141-V154 PolarHBondContact O-N 3.1Å; I143-V154 HydrophobicContact CD1-CG1 4.13Å; I143-V154 HydrophobicContact CD1-CG2 4.26Å; I143-V154 HydrophobicContact CG1-CG2 4.45Å; D152-V154 HydrophobicContact CB-CG1 4.29Å; V154-D158 CarbonylContact C-O 3.59Å; V154-D158 VanDerWaalsContact CA-O 3.24Å; V154-D158 WeakPolarHBondContact CA-O 3.36Å; V154-V159 HydrophobicContact CG1-CG2 4.07Å
155	E	91.7	Very high	95.2	Very high	56 Å²	56	44.2 Å²	44.2	26%	0.262	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	111.6	169	-174.5	176.1	-88	0	0	109.1	Q140 R157 D158 L160 R318	Q140-E155 HydrophobicContact CG-CB 3.72Å; Q140-E155 HydrophobicContact CG-CG 3.72Å; Q140-E155 WeakPolarHBondContact CG-OE1 3.34Å; Q140-E155 PolarHBondContact NE2-OE1 3.41Å; E155-R157 PolarHBondContact O-N 2.71Å; E155-D158 PolarHBondContact N-O 3.41Å; E155-D158 PolarHBondContact O-N 2.89Å; E155-L160 HydrophobicContact CB-CD1 3.98Å; E155-L160 HydrophobicContact CB-CD2 4.21Å; E155-L160 HydrophobicContact CB-CG 4.14Å; E155-R318 IonicContact OE1-CZ 2.68Å; E155-R318 IonicContact OE1-NH1 3.83Å; E155-R318 IonicContact OE1-NH2 3.58Å; E155-R318 PolarHBondContact OE1-NH2 2.81Å; E155-R318 IonicContact OE2-CZ 3.71Å; E155-R318 IonicContact OE2-NH2 3.24Å; E155-R318 PolarHBondContact OE2-NH2 3.07Å
156	G	88.6	Confident	95.1	Very high	48 Å²	48	45.4 Å²	45.4	50%	0.495	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-103.8	-173.8	0	0	0	0	0	111.6	S139	S139-G156 PolarHBondContact O-N 3.31Å
157	R	85.4	Confident	95.2	Very high	235 Å²	235	45.4 Å²	45.4	89%	0.887	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-9.2	176.4	-65.9	-174.3	-179	-176.1	0.7	113.2	E155	E155-R157 PolarHBondContact O-N 2.71Å
158	D	89.9	Confident	95.3	Very high	115 Å²	115	37.1 Å²	37.1	62%	0.615	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.5	-171.9	-59.6	-38.5	0	0	0	110	V154 E155 L160	V154-D158 CarbonylContact C-O 3.59Å; V154-D158 VanDerWaalsContact CA-O 3.24Å; V154-D158 WeakPolarHBondContact CA-O 3.36Å; E155-D158 PolarHBondContact N-O 3.41Å; E155-D158 PolarHBondContact O-N 2.89Å; D158-L160 PolarHBondContact O-N 2.83Å
159	V	94.2	Very high	95.5	Very high	54 Å²	54	34.8 Å²	34.8	33%	0.327	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	114.9	171.4	-179.1	0	0	0	0	107.7	V154 S162 P260	V154-V159 HydrophobicContact CG1-CG2 4.07Å; V159-S162 WeakPolarHBondContact CG1-OG 3.31Å; V159-P260 HydrophobicContact CB-CG 4.36Å; V159-P260 HydrophobicContact CG1-CG 4.22Å
160	L	94.6	Very high	95.4	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-45.9	177.3	-59.3	-172.6	0	0	0	110.7	I153 E155 D158 M320	I153-L160 HydrophobicContact CG2-CB 4.44Å; I153-L160 HydrophobicContact CG2-CD1 4.4Å; I153-L160 PolarHBondContact O-N 3.48Å; E155-L160 HydrophobicContact CB-CD1 3.98Å; E155-L160 HydrophobicContact CB-CD2 4.21Å; E155-L160 HydrophobicContact CB-CG 4.14Å; D158-L160 PolarHBondContact O-N 2.83Å; L160-M320 HydrophobicContact CB-SD 3.91Å; L160-M320 WeakPolarHBondContact O-CE 3.47Å
161	M	96.9	Very high	95.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	143.7	-177	-175	-174.5	-62.5	0	0	110.4	I153 L163 F257 S258 L259 I322 L375	I153-M161 HydrophobicContact CB-CB 4.5Å; I153-M161 PolarHBondContact N-O 2.85Å; I153-M161 PolarHBondContact O-N 2.96Å; M161-L163 HydrophobicContact CG-CD1 4.12Å; M161-L163 HydrophobicContact SD-CD1 4.04Å; M161-F257 HydrophobicContact SD-CD1 3.84Å; M161-S258 WeakPolarHBondContact CA-O 3.3Å; M161-L259 HydrophobicContact CB-CD2 4.4Å; M161-L259 HydrophobicContact CE-CD2 3.71Å; M161-L259 HydrophobicContact CG-CD2 3.91Å; M161-L259 HydrophobicContact SD-CD2 4.43Å; M161-I322 HydrophobicContact CE-CD1 3.95Å; M161-I322 HydrophobicContact CE-CG1 3.61Å; M161-I322 HydrophobicContact SD-CD1 4.2Å; M161-I322 HydrophobicContact SD-CG1 4.14Å; M161-L375 HydrophobicContact CE-CD2 4.46Å; M161-L375 HydrophobicContact SD-CD1 4.15Å; M161-L375 HydrophobicContact SD-CD2 3.7Å; M161-L375 HydrophobicContact SD-CG 4.37Å
162	S	98.3	Very high	95.4	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.9	172	-54.9	0	0	0	0	110.8	R150 L151 D152 V159 F257 S258	R150-S162 PolarHBondContact NH2-OG 2.72Å; L151-S162 CarbonylContact O-C 3.55Å; L151-S162 VanDerWaalsContact O-CA 3.3Å; L151-S162 WeakPolarHBondContact O-CA 3.11Å; D152-S162 WeakPolarHBondContact OD1-CB 3.33Å; D152-S162 PolarHBondContact OD1-OG 2.84Å; V159-S162 WeakPolarHBondContact CG1-OG 3.31Å; S162-F257 CarbonylContact O-C 3.48Å; S162-F257 VanDerWaalsContact O-CA 3.22Å; S162-F257 WeakPolarHBondContact O-CA 3.47Å; S162-S258 PolarHBondContact N-O 2.83Å; S162-S258 PolarHBondContact O-N 2.76Å
163	L	98.4	Very high	95.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.9	173.5	-68.6	60.7	0	0	0	108.8	V94 L151 M161 S165 L255 D256 F257 L375	V94-L163 HydrophobicContact CB-CD2 4.46Å; V94-L163 HydrophobicContact CG1-CD2 4.46Å; V94-L163 HydrophobicContact CG2-CD2 4.01Å; L151-L163 HydrophobicContact CB-CB 4.13Å; L151-L163 HydrophobicContact CD1-CD2 4Å; L151-L163 PolarHBondContact N-O 3.48Å; L151-L163 VanDerWaalsContact N-O 3.13Å; L151-L163 PolarHBondContact O-N 3.05Å; M161-L163 HydrophobicContact CG-CD1 4.12Å; M161-L163 HydrophobicContact SD-CD1 4.04Å; L163-S165 PolarHBondContact O-N 2.86Å; L163-L255 HydrophobicContact CB-CD1 4.48Å; L163-L255 HydrophobicContact CB-CD2 4.48Å; L163-L255 HydrophobicContact CD2-CD2 4.13Å; L163-L255 HydrophobicContact CG-CD2 4.44Å; L163-D256 WeakPolarHBondContact CA-O 3.4Å; L163-F257 HydrophobicContact CD1-CD1 3.94Å; L163-F257 HydrophobicContact CD1-CE1 4.14Å; L163-F257 HydrophobicContact CD2-CD1 4.46Å; L163-F257 HydrophobicContact CD2-CE1 3.88Å; L163-F257 HydrophobicContact CG-CD1 3.66Å; L163-F257 HydrophobicContact CG-CE1 3.57Å; L163-L375 HydrophobicContact CD1-CD1 3.88Å; L163-L375 HydrophobicContact CD2-CD1 4.29Å
164	N	98.3	Very high	95.1	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.027	18%	0.181	C	C	.	.	S	Bend	trans	59.3	27.8	-176.9	-160.8	36.8	0	0	0	114.1	S51 F149 R166 G167 L168 L169 L255 D256	S51-N164 WeakPolarHBondContact CB-ND2 3.31Å; S51-N164 PolarHBondContact OG-ND2 2.79Å; F149-N164 PolarHBondContact O-ND2 3.2Å; N164-R166 VanDerWaalsContact C-N 3.28Å; N164-R166 PolarHBondContact O-N 3.16Å; N164-G167 PolarHBondContact O-N 2.93Å; N164-G167 WeakPolarHBondContact OD1-CA 3.18Å; N164-L168 PolarHBondContact OD1-N 3.35Å; N164-L168 VanDerWaalsContact OD1-N 3.09Å; N164-L169 HydrophobicContact CB-CB 4.3Å; N164-L169 VanDerWaalsContact CG-CB 3.47Å; N164-L169 WeakPolarHBondContact OD1-CB 3.37Å; N164-L169 PolarHBondContact OD1-N 2.96Å; N164-L255 HydrophobicContact CB-CD1 3.92Å; N164-D256 WeakPolarHBondContact CA-OD1 3.16Å; N164-D256 WeakPolarHBondContact CA-OD2 3.3Å; N164-D256 PolarHBondContact N-O 3.02Å; N164-D256 PolarHBondContact OD1-OD1 2.97Å
165	S	96.1	Very high	94.7	Very high	32 Å²	32	39 Å²	39	22%	0.224	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.2	178.7	54.9	0	0	0	0	112.5	L163 D256 S258	L163-S165 PolarHBondContact O-N 2.86Å; S165-D256 PolarHBondContact N-OD2 3.43Å; S165-D256 VanDerWaalsContact N-OD2 3.09Å; S165-D256 PolarHBondContact OG-OD2 2.94Å; S165-S258 PolarHBondContact OG-OG 2.82Å
166	R	96.2	Very high	94.1	Very high	61 Å²	61	40.7 Å²	40.7	23%	0.23	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.1	175.4	-61.5	178.4	58.4	173.9	-1.4	112.7	P48 G49 N164 L168 D256 S335 D361	P48-R166 VanDerWaalsContact CA-O 3.29Å; P48-R166 WeakPolarHBondContact CA-O 3.27Å; P48-R166 HydrophobicContact CB-CB 4.33Å; P48-R166 VanDerWaalsContact CG-NH2 3.31Å; G49-R166 PolarHBondContact N-O 3.39Å; N164-R166 VanDerWaalsContact C-N 3.28Å; N164-R166 PolarHBondContact O-N 3.16Å; R166-L168 HydrophobicContact CB-CD1 4Å; R166-L168 HydrophobicContact CB-CG 4.02Å; R166-D256 VanDerWaalsContact CB-OD2 3.3Å; R166-D256 WeakPolarHBondContact CB-OD2 3.25Å; R166-D256 PolarHBondContact N-OD2 2.94Å; R166-S335 PolarHBondContact NH1-OG 2.78Å; R166-D361 IonicContact NH1-OD2 3.66Å
167	G	97.1	Very high	93.6	Very high	8 Å²	8	41.8 Å²	41.8	8%	0.082	19%	0.192	C	C	.	.	S	Bend	trans	71.1	27.4	179.2	0	0	0	0	0	114.2	N164	N164-G167 PolarHBondContact O-N 2.93Å; N164-G167 WeakPolarHBondContact OD1-CA 3.18Å
168	L	97.6	Very high	92.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	18%	0.175	C	C	.	.			trans	-100.7	15.1	-175	-58.1	173.6	0	0	0	113.5	M46 P48 N164 R166 G170 S254 D256 R363	M46-L168 HydrophobicContact CB-CD2 4.19Å; P48-L168 HydrophobicContact CG-CD1 4.38Å; N164-L168 PolarHBondContact OD1-N 3.35Å; N164-L168 VanDerWaalsContact OD1-N 3.09Å; R166-L168 HydrophobicContact CB-CD1 4Å; R166-L168 HydrophobicContact CB-CG 4.02Å; L168-G170 PolarHBondContact O-N 2.8Å; L168-S254 PolarHBondContact O-OG 2.96Å; L168-D256 VanDerWaalsContact CA-OD1 3.31Å; L168-D256 WeakPolarHBondContact CA-OD1 3.08Å; L168-D256 HydrophobicContact CB-CB 4.07Å; L168-D256 VanDerWaalsContact CB-OD1 3.27Å; L168-D256 WeakPolarHBondContact CB-OD1 3.5Å; L168-D256 HydrophobicContact CD1-CB 4.34Å; L168-D256 PolarHBondContact N-OD1 3.07Å; L168-R363 PolarHBondContact O-NH2 2.79Å
169	L	98.4	Very high	91	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.			trans	-53.6	111.9	163.4	172.5	58.7	0	0	0	109.1	Y53 L71 I96 F149 N164 S254 L255 I371	Y53-L169 HydrophobicContact CD1-CD2 4.14Å; Y53-L169 HydrophobicContact CD2-CB 4.16Å; Y53-L169 HydrophobicContact CD2-CD2 3.82Å; Y53-L169 HydrophobicContact CD2-CG 3.83Å; Y53-L169 HydrophobicContact CE2-CB 4.42Å; Y53-L169 HydrophobicContact CE2-CD2 4.36Å; Y53-L169 HydrophobicContact CE2-CG 3.96Å; Y53-L169 WeakPolarHBondContact CE2-O 3.32Å; Y53-L169 HydrophobicContact CG-CD2 3.71Å; Y53-L169 HydrophobicContact CG-CG 4.21Å; L71-L169 HydrophobicContact CD1-CD2 4.42Å; I96-L169 HydrophobicContact CD1-CD1 4.19Å; I96-L169 HydrophobicContact CD1-CD2 4.39Å; F149-L169 HydrophobicContact CD1-CD2 3.71Å; F149-L169 HydrophobicContact CE1-CD2 3.96Å; N164-L169 HydrophobicContact CB-CB 4.3Å; N164-L169 VanDerWaalsContact CG-CB 3.47Å; N164-L169 WeakPolarHBondContact OD1-CB 3.37Å; N164-L169 PolarHBondContact OD1-N 2.96Å; L169-S254 WeakPolarHBondContact CA-O 3.5Å; L169-S254 WeakPolarHBondContact CD1-O 3.3Å; L169-L255 HydrophobicContact CB-CD1 4.22Å; L169-L255 HydrophobicContact CD1-CD1 4.28Å; L169-I371 HydrophobicContact CD1-CD1 3.51Å
170	G	97.8	Very high	89.2	Confident	2 Å²	2	35 Å²	35	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.8	174	0	0	0	0	0	109.7	L168 V253 S254	L168-G170 PolarHBondContact O-N 2.8Å; G170-V253 CarbonylContact O-C 3.57Å; G170-V253 WeakPolarHBondContact O-CA 3.34Å; G170-S254 WeakPolarHBondContact CA-OG 3.48Å; G170-S254 PolarHBondContact N-O 3.07Å; G170-S254 PolarHBondContact N-OG 2.84Å; G170-S254 PolarHBondContact O-N 2.89Å
171	F	98.2	Very high	87	Confident	10 Å²	10	42.4 Å²	42.4	4%	0.044	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	96.1	175.9	-158.6	-65.4	0	0	0	108.4	Y53 L80 I96 E98 R105 H173 V253 I371	Y53-F171 HydrophobicContact CE1-CB 4.48Å; Y53-F171 PolarHBondContact OH-N 2.89Å; L80-F171 HydrophobicContact CD1-CB 3.79Å; L80-F171 HydrophobicContact CD1-CD1 4.35Å; L80-F171 HydrophobicContact CD1-CD2 3.82Å; L80-F171 HydrophobicContact CD1-CG 3.7Å; L80-F171 HydrophobicContact CD2-CD1 3.71Å; L80-F171 HydrophobicContact CD2-CD2 4.28Å; L80-F171 HydrophobicContact CD2-CE1 3.94Å; L80-F171 HydrophobicContact CD2-CE2 4.44Å; L80-F171 HydrophobicContact CD2-CG 3.91Å; L80-F171 HydrophobicContact CD2-CZ 4.28Å; L80-F171 HydrophobicContact CG-CG 4.49Å; I96-F171 HydrophobicContact CG2-CD2 4.22Å; I96-F171 HydrophobicContact CG2-CE2 4.32Å; E98-F171 HydrophobicContact CG-CD1 4.16Å; E98-F171 HydrophobicContact CG-CE1 3.22Å; E98-F171 HydrophobicContact CG-CZ 3.7Å; R105-F171 VanDerWaalsContact CZ-CE1 3.49Å; F171-H173 PolarHBondContact O-N 3.44Å; F171-H173 VanDerWaalsContact O-N 3.08Å; F171-V253 HydrophobicContact CD2-CG1 3.81Å; F171-V253 HydrophobicContact CE1-CG1 4.48Å; F171-V253 HydrophobicContact CE2-CG1 3.71Å; F171-V253 HydrophobicContact CG-CG1 4.28Å; F171-V253 HydrophobicContact CZ-CG1 4.06Å; F171-I371 HydrophobicContact CD2-CD1 4.34Å
172	E	97.3	Very high	84.7	Confident	26 Å²	26	46 Å²	46	12%	0.121	22%	0.224	C	C	.	.			trans	-76.5	95.1	177.5	-60.9	-174.8	149.1	0	0	109	R42 Q43 R105 P250 S251 A252	R42-E172 IonicContact CZ-OE1 2.74Å; R42-E172 IonicContact CZ-OE2 3.9Å; R42-E172 IonicContact NE-OE1 3.91Å; R42-E172 PolarHBondContact NE-OE1 2.91Å; R42-E172 IonicContact NE-OE2 2.62Å; R42-E172 IonicContact NH2-OE1 3.72Å; R42-E172 PolarHBondContact NH2-OE1 3.38Å; R42-E172 IonicContact NH2-OE2 2.65Å; R42-E172 PolarHBondContact NH2-OE2 3.22Å; Q43-E172 PolarHBondContact NE2-OE1 2.84Å; R105-E172 PolarHBondContact NH2-O 3.17Å; E172-P250 HydrophobicContact CB-CB 4.14Å; E172-P250 HydrophobicContact CG-CB 4.32Å; E172-P250 WeakPolarHBondContact OE2-CA 3.22Å; E172-P250 WeakPolarHBondContact OE2-CB 3.43Å; E172-S251 WeakPolarHBondContact O-CA 3.5Å; E172-S251 PolarHBondContact OE2-N 3.23Å; E172-A252 WeakPolarHBondContact CB-O 3.42Å; E172-A252 HydrophobicContact CG-CB 4.42Å; E172-A252 PolarHBondContact N-O 2.89Å; E172-A252 WeakPolarHBondContact OE2-CB 2.99Å; E172-A252 PolarHBondContact OE2-N 3.07Å
173	H	93.4	Very high	82.5	Confident	31 Å²	31	49.9 Å²	49.9	14%	0.144	24%	0.239	C	C	.	.			trans	-60.1	145	178	65.4	-91.6	0	0	0	112.2	V78 E98 F171 R175	V78-H173 HydrophobicContact CG1-CB 3.88Å; V78-H173 HydrophobicContact CG2-CB 4.16Å; E98-H173 WeakPolarHBondContact OE1-CA 3.18Å; F171-H173 PolarHBondContact O-N 3.44Å; F171-H173 VanDerWaalsContact O-N 3.08Å; H173-R175 PolarHBondContact CE1-NE 3.37Å; H173-R175 PolarHBondContact CE1-NH2 3.5Å; H173-R175 PolarHBondContact NE2-NE 3.45Å; H173-R175 WeakPolarHBondContact O-CG 3.49Å; H173-R175 PolarHBondContact O-N 3.2Å
174	L	93.1	Very high	80	Confident	17 Å²	17	55.4 Å²	55.4	9%	0.089	26%	0.263	C	S	.	.			trans	-63.7	133.8	179.3	-62	179.5	0	0	0	110.8	E98 P101 L102 K103	E98-L174 PolarHBondContact OE1-N 3.44Å; P101-L174 HydrophobicContact CB-CD1 4.37Å; L102-L174 HydrophobicContact CB-CB 4.17Å; L102-L174 HydrophobicContact CD1-CB 4.17Å; L102-L174 WeakPolarHBondContact CD1-O 3.34Å; L102-L174 HydrophobicContact CG-CB 4.26Å; K103-L174 HydrophobicContact CG-CD1 3.67Å; K103-L174 WeakPolarHBondContact O-CD1 3.48Å
175	R	87.7	Confident	77.8	Confident	93 Å²	93	58.2 Å²	58.2	35%	0.351	28%	0.28	S	S	.	.			trans	-125.7	148.1	-179.2	-60.5	179.3	-167.2	179.5	8.2	110.8	H173	H173-R175 PolarHBondContact CE1-NE 3.37Å; H173-R175 PolarHBondContact CE1-NH2 3.5Å; H173-R175 PolarHBondContact NE2-NE 3.45Å; H173-R175 WeakPolarHBondContact O-CG 3.49Å; H173-R175 PolarHBondContact O-N 3.2Å
176	M	79.7	Confident	75.8	Confident	92 Å²	92	59.8 Å²	59.8	45%	0.453	29%	0.289	S	S	.	.			trans	-82.4	142.3	165.5	-66.9	-154.4	-65.4	0	0	110.2	L102 K178 Y183	L102-M176 HydrophobicContact CD1-CG 3.79Å; M176-K178 PolarHBondContact O-N 3.06Å; M176-Y183 HydrophobicContact CE-CD2 4.23Å
177	R	76.3	Confident	73.6	Confident	71 Å²	71	59.2 Å²	59.2	27%	0.268	29%	0.294	S	S	.	.			trans	-72.1	117.2	175	-153.2	-169.4	167.2	152.8	5.5	110.1	D179 T180 W235 E236	R177-D179 WeakPolarHBondContact CD-OD1 3.46Å; R177-D179 WeakPolarHBondContact CG-OD1 3.45Å; R177-D179 IonicContact CZ-OD2 2.71Å; R177-D179 VanDerWaalsContact NE-CG 3.29Å; R177-D179 IonicContact NE-OD1 3.05Å; R177-D179 PolarHBondContact NE-OD1 3.01Å; R177-D179 IonicContact NE-OD2 2.62Å; R177-D179 PolarHBondContact NE-OD2 2.86Å; R177-D179 IonicContact NH2-OD2 3.32Å; R177-D179 PolarHBondContact O-N 3.16Å; R177-D179 VanDerWaalsContact O-N 3.15Å; R177-T180 HydrophobicContact CB-CG2 4.01Å; R177-T180 PolarHBondContact O-N 2.97Å; R177-T180 PolarHBondContact O-OG1 2.97Å; R177-W235 VanDerWaalsContact CA-CH2 3.49Å; R177-W235 HydrophobicContact CB-CD2 4.5Å; R177-W235 HydrophobicContact CB-CE3 4.21Å; R177-W235 HydrophobicContact CB-CH2 3.49Å; R177-W235 VanDerWaalsContact CB-CH2 3.49Å; R177-W235 HydrophobicContact CB-CZ2 3.79Å; R177-W235 HydrophobicContact CB-CZ3 3.71Å; R177-W235 HydrophobicContact CG-CD2 3.78Å; R177-W235 HydrophobicContact CG-CE3 3.89Å; R177-W235 HydrophobicContact CG-CG 4.49Å; R177-W235 HydrophobicContact CG-CH2 3.79Å; R177-W235 HydrophobicContact CG-CZ2 3.66Å; R177-W235 HydrophobicContact CG-CZ3 3.9Å; R177-E236 IonicContact CZ-OE1 3.42Å; R177-E236 IonicContact CZ-OE2 2.84Å; R177-E236 IonicContact NH1-OE1 3.41Å; R177-E236 PolarHBondContact NH1-OE1 3.28Å; R177-E236 IonicContact NH1-OE2 3.99Å; R177-E236 PolarHBondContact NH1-OE2 3.31Å; R177-E236 IonicContact NH2-OE1 3.52Å; R177-E236 PolarHBondContact NH2-OE1 2.8Å; R177-E236 IonicContact NH2-OE2 3.56Å; R177-E236 PolarHBondContact NH2-OE2 2.82Å
178	K	64	Low	71.4	Confident	123 Å²	123	62.6 Å²	62.6	54%	0.535	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17	-172.4	-70.1	178	176.2	171.1	0	114.6	M176 Y183 E228	M176-K178 PolarHBondContact O-N 3.06Å; K178-Y183 HydrophobicContact CB-CD1 4.42Å; K178-Y183 HydrophobicContact CB-CE1 4.26Å; K178-Y183 HydrophobicContact CG-CE1 4.44Å; K178-Y183 HydrophobicContact CG-CE2 4.27Å; K178-Y183 WeakPolarHBondContact O-CD1 3.28Å; K178-E228 IonicContact NZ-OE2 2.66Å; K178-E228 PolarHBondContact NZ-OE2 3.48Å
179	D	58.2	Low	69.3	Low	85 Å²	85	66.6 Å²	66.6	46%	0.455	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-11	-178.9	56.8	4.4	0	0	0	114.1	R177	R177-D179 WeakPolarHBondContact CD-OD1 3.46Å; R177-D179 WeakPolarHBondContact CG-OD1 3.45Å; R177-D179 IonicContact CZ-OD2 2.71Å; R177-D179 VanDerWaalsContact NE-CG 3.29Å; R177-D179 IonicContact NE-OD1 3.05Å; R177-D179 PolarHBondContact NE-OD1 3.01Å; R177-D179 IonicContact NE-OD2 2.62Å; R177-D179 PolarHBondContact NE-OD2 2.86Å; R177-D179 IonicContact NH2-OD2 3.32Å; R177-D179 PolarHBondContact O-N 3.16Å; R177-D179 VanDerWaalsContact O-N 3.15Å
180	T	54.7	Low	66.8	Low	54 Å²	54	69 Å²	69	33%	0.331	36%	0.357	S	S	.	.	S	Bend	trans	-71	146.4	-178.5	50.2	0	0	0	0	113.1	R177 S182 Y183 K184	R177-T180 HydrophobicContact CB-CG2 4.01Å; R177-T180 PolarHBondContact O-N 2.97Å; R177-T180 PolarHBondContact O-OG1 2.97Å; T180-S182 PolarHBondContact O-N 3.45Å; T180-Y183 PolarHBondContact O-N 2.75Å; T180-K184 PolarHBondContact O-N 2.88Å; T180-K184 VanDerWaalsContact O-N 3.08Å
181	F	49.1	Very low	64.5	Low	170 Å²	170	71.6 Å²	71.6	75%	0.746	38%	0.375	S	S	*	.	H	α-helix	trans	-55.3	-34.4	175.2	-170.1	-98.5	0	0	0	111.8	K184 V185	F181-K184 PolarHBondContact O-N 2.56Å; F181-V185 HydrophobicContact CD1-CG2 3.77Å; F181-V185 HydrophobicContact CE1-CG2 3.5Å; F181-V185 HydrophobicContact CG-CG2 4.44Å; F181-V185 HydrophobicContact CZ-CG2 3.97Å; F181-V185 WeakPolarHBondContact O-CB 3.07Å; F181-V185 VanDerWaalsContact O-CG2 3.28Å; F181-V185 WeakPolarHBondContact O-CG2 3.23Å; F181-V185 PolarHBondContact O-N 2.88Å
182	S	50	Low	62.5	Low	75 Å²	75	74.4 Å²	74.4	52%	0.524	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-43.9	175	-168.6	0	0	0	0	112.7	T180 V185 T186	T180-S182 PolarHBondContact O-N 3.45Å; S182-V185 PolarHBondContact O-N 2.92Å; S182-T186 PolarHBondContact O-N 2.75Å; S182-T186 PolarHBondContact O-OG1 3.35Å
183	Y	51.4	Low	60.1	Low	85 Å²	85	80.7 Å²	80.7	33%	0.333	42%	0.416	S	S	.	.	H	α-helix	trans	-64.5	-40.2	173.3	-179.4	-93.5	0	0	0	112	M176 K178 T180 T186 S187	M176-Y183 HydrophobicContact CE-CD2 4.23Å; K178-Y183 HydrophobicContact CB-CD1 4.42Å; K178-Y183 HydrophobicContact CB-CE1 4.26Å; K178-Y183 HydrophobicContact CG-CE1 4.44Å; K178-Y183 HydrophobicContact CG-CE2 4.27Å; K178-Y183 WeakPolarHBondContact O-CD1 3.28Å; T180-Y183 PolarHBondContact O-N 2.75Å; Y183-T186 WeakPolarHBondContact CA-OG1 3.3Å; Y183-T186 PolarHBondContact O-OG1 2.83Å; Y183-S187 WeakPolarHBondContact O-CB 3.37Å; Y183-S187 PolarHBondContact O-N 2.82Å; Y183-S187 PolarHBondContact O-OG 2.91Å
184	K	44.9	Very low	58	Low	118 Å²	118	83.9 Å²	83.9	51%	0.513	43%	0.434	S	S	.	.	H	α-helix	trans	-64.7	-39.6	176	-69.6	179.7	-178.9	173.1	0	111.6	T180 F181 S187 T188	T180-K184 PolarHBondContact O-N 2.88Å; T180-K184 VanDerWaalsContact O-N 3.08Å; F181-K184 PolarHBondContact O-N 2.56Å; K184-S187 PolarHBondContact O-OG 2.84Å; K184-T188 WeakPolarHBondContact O-CB 3.39Å; K184-T188 PolarHBondContact O-N 2.85Å; K184-T188 PolarHBondContact O-OG1 2.68Å
185	V	53.1	Low	55.9	Low	64 Å²	64	87.4 Å²	87.4	39%	0.388	45%	0.453	S	S	.	.	H	α-helix	trans	-71.6	-46.2	176.4	173.8	0	0	0	0	111.1	F181 S182 T188 V189	F181-V185 HydrophobicContact CD1-CG2 3.77Å; F181-V185 HydrophobicContact CE1-CG2 3.5Å; F181-V185 HydrophobicContact CG-CG2 4.44Å; F181-V185 HydrophobicContact CZ-CG2 3.97Å; F181-V185 WeakPolarHBondContact O-CB 3.07Å; F181-V185 VanDerWaalsContact O-CG2 3.28Å; F181-V185 WeakPolarHBondContact O-CG2 3.23Å; F181-V185 PolarHBondContact O-N 2.88Å; S182-V185 PolarHBondContact O-N 2.92Å; V185-T188 PolarHBondContact O-N 3.09Å; V185-V189 HydrophobicContact CG1-CG2 4.16Å; V185-V189 WeakPolarHBondContact O-CB 3.41Å; V185-V189 WeakPolarHBondContact O-CG2 3.28Å; V185-V189 PolarHBondContact O-N 3.39Å
186	T	52.7	Low	54.1	Low	66 Å²	66	85.7 Å²	85.7	41%	0.405	45%	0.45	S	S	.	.	H	α-helix	trans	-65.8	-38.7	177.9	34.5	0	0	0	0	112.7	S182 Y183 V189 A190	S182-T186 PolarHBondContact O-N 2.75Å; S182-T186 PolarHBondContact O-OG1 3.35Å; Y183-T186 WeakPolarHBondContact CA-OG1 3.3Å; Y183-T186 PolarHBondContact O-OG1 2.83Å; T186-V189 PolarHBondContact O-N 3.48Å; T186-A190 WeakPolarHBondContact O-CB 3.4Å; T186-A190 PolarHBondContact O-N 2.62Å
187	S	50.4	Low	52.6	Low	48 Å²	48	87.4 Å²	87.4	34%	0.336	46%	0.455	S	S	.	.	H	α-helix	trans	-69.4	-36.1	173.9	61.9	0	0	0	0	112.5	Y183 K184 S191	Y183-S187 WeakPolarHBondContact O-CB 3.37Å; Y183-S187 PolarHBondContact O-N 2.82Å; Y183-S187 PolarHBondContact O-OG 2.91Å; K184-S187 PolarHBondContact O-OG 2.84Å; S187-S191 VanDerWaalsContact O-CB 3.27Å; S187-S191 WeakPolarHBondContact O-CB 3.35Å; S187-S191 PolarHBondContact O-N 3.35Å; S187-S191 PolarHBondContact O-OG 2.87Å
188	T	50.8	Low	51.4	Low	80 Å²	80	93.3 Å²	93.3	49%	0.491	48%	0.477	S	S	.	.	H	α-helix	trans	-67.8	-42.5	172.9	-55.7	0	0	0	0	111.2	K184 V185 S191 V192	K184-T188 WeakPolarHBondContact O-CB 3.39Å; K184-T188 PolarHBondContact O-N 2.85Å; K184-T188 PolarHBondContact O-OG1 2.68Å; V185-T188 PolarHBondContact O-N 3.09Å; T188-S191 WeakPolarHBondContact CA-OG 3.16Å; T188-S191 PolarHBondContact O-N 2.99Å; T188-S191 PolarHBondContact O-OG 3.09Å; T188-V192 HydrophobicContact CG2-CG2 4.41Å; T188-V192 VanDerWaalsContact O-CB 3.31Å; T188-V192 WeakPolarHBondContact O-CB 3.26Å; T188-V192 WeakPolarHBondContact O-CG2 3.3Å; T188-V192 PolarHBondContact O-N 3.05Å
189	V	53.3	Low	50.7	Low	88 Å²	88	92.2 Å²	92.2	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-69.9	-40.7	178.6	174.7	0	0	0	0	111	V185 T186 V192 W193	V185-V189 HydrophobicContact CG1-CG2 4.16Å; V185-V189 WeakPolarHBondContact O-CB 3.41Å; V185-V189 WeakPolarHBondContact O-CG2 3.28Å; V185-V189 PolarHBondContact O-N 3.39Å; T186-V189 PolarHBondContact O-N 3.48Å; V189-V192 PolarHBondContact O-N 3.47Å; V189-W193 WeakPolarHBondContact O-CB 3.32Å; V189-W193 PolarHBondContact O-N 2.94Å
190	A	47.2	Very low	49.9	Very low	51 Å²	51	96.4 Å²	96.4	42%	0.421	50%	0.495	S	S	.	.	H	α-helix	trans	-63.6	-44.4	174.6	0	0	0	0	0	111.7	T186 V192 W193 D194	T186-A190 WeakPolarHBondContact O-CB 3.4Å; T186-A190 PolarHBondContact O-N 2.62Å; A190-V192 PolarHBondContact O-N 3.18Å; A190-W193 PolarHBondContact O-N 3.06Å; A190-D194 PolarHBondContact O-N 2.78Å
191	S	49.7	Very low	49.4	Very low	56 Å²	56	98.4 Å²	98.4	39%	0.392	51%	0.511	S	S	.	.	H	α-helix	trans	-66.8	-34.6	175.7	63.5	0	0	0	0	112.8	S187 T188 N195	S187-S191 VanDerWaalsContact O-CB 3.27Å; S187-S191 WeakPolarHBondContact O-CB 3.35Å; S187-S191 PolarHBondContact O-N 3.35Å; S187-S191 PolarHBondContact O-OG 2.87Å; T188-S191 WeakPolarHBondContact CA-OG 3.16Å; T188-S191 PolarHBondContact O-N 2.99Å; T188-S191 PolarHBondContact O-OG 3.09Å; S191-N195 WeakPolarHBondContact O-CB 3.36Å; S191-N195 PolarHBondContact O-N 2.85Å; S191-N195 PolarHBondContact O-ND2 2.88Å
192	V	54.5	Low	49.1	Very low	70 Å²	70	94.6 Å²	94.6	42%	0.424	51%	0.506	S	S	.	.	H	α-helix	trans	-66.9	-38.3	172.1	169.8	0	0	0	0	110.9	T188 V189 A190 N195 I196	T188-V192 HydrophobicContact CG2-CG2 4.41Å; T188-V192 VanDerWaalsContact O-CB 3.31Å; T188-V192 WeakPolarHBondContact O-CB 3.26Å; T188-V192 WeakPolarHBondContact O-CG2 3.3Å; T188-V192 PolarHBondContact O-N 3.05Å; V189-V192 PolarHBondContact O-N 3.47Å; A190-V192 PolarHBondContact O-N 3.18Å; V192-N195 PolarHBondContact O-N 3.2Å; V192-I196 HydrophobicContact CG1-CD1 3.77Å; V192-I196 HydrophobicContact CG1-CG1 4.48Å; V192-I196 VanDerWaalsContact O-CB 3.31Å; V192-I196 WeakPolarHBondContact O-CB 3.37Å; V192-I196 WeakPolarHBondContact O-CG1 3.44Å; V192-I196 PolarHBondContact O-N 2.69Å
193	W	48.4	Very low	48.7	Very low	157 Å²	157	100 Å²	100	60%	0.595	52%	0.523	S	S	*	.	H	α-helix	trans	-70.3	-37.5	177.6	-143.8	-136.9	0	0	0	113	V189 A190 I196 K197	V189-W193 WeakPolarHBondContact O-CB 3.32Å; V189-W193 PolarHBondContact O-N 2.94Å; A190-W193 PolarHBondContact O-N 3.06Å; W193-I196 HydrophobicContact CE3-CB 4.17Å; W193-I196 HydrophobicContact CE3-CD1 3.64Å; W193-I196 HydrophobicContact CE3-CG1 4.49Å; W193-I196 HydrophobicContact CE3-CG2 4.06Å; W193-I196 HydrophobicContact CZ3-CB 4.46Å; W193-I196 HydrophobicContact CZ3-CD1 3.67Å; W193-I196 HydrophobicContact CZ3-CG2 3.95Å; W193-I196 PolarHBondContact O-N 2.84Å; W193-K197 PolarHBondContact O-N 2.72Å
194	D	49.5	Very low	47.7	Very low	98 Å²	98	100.5 Å²	100.5	52%	0.524	54%	0.544	S	S	.	.	H	α-helix	trans	-69.3	-36.5	172.8	-77.7	-22.4	0	0	0	112.2	A190 K197 R198	A190-D194 PolarHBondContact O-N 2.78Å; D194-K197 PolarHBondContact O-N 2.98Å; D194-R198 PolarHBondContact O-N 3.03Å
195	N	49	Very low	47.1	Very low	92 Å²	92	102.6 Å²	102.6	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-65.4	-38.9	171.1	-77.2	-32.8	0	0	0	111.9	S191 V192 R198 V199	S191-N195 WeakPolarHBondContact O-CB 3.36Å; S191-N195 PolarHBondContact O-N 2.85Å; S191-N195 PolarHBondContact O-ND2 2.88Å; V192-N195 PolarHBondContact O-N 3.2Å; N195-R198 WeakPolarHBondContact O-CB 3.44Å; N195-R198 PolarHBondContact O-N 2.84Å; N195-V199 WeakPolarHBondContact O-CG2 3.44Å; N195-V199 PolarHBondContact O-N 3.26Å
196	I	50	Low	46.5	Very low	56 Å²	56	104.5 Å²	104.5	29%	0.287	58%	0.575	S	S	.	*	H	α-helix	trans	-64.8	-44.1	175.5	-78.8	170.1	0	0	0	111	V192 W193 R198 V199 F200	V192-I196 HydrophobicContact CG1-CD1 3.77Å; V192-I196 HydrophobicContact CG1-CG1 4.48Å; V192-I196 VanDerWaalsContact O-CB 3.31Å; V192-I196 WeakPolarHBondContact O-CB 3.37Å; V192-I196 WeakPolarHBondContact O-CG1 3.44Å; V192-I196 PolarHBondContact O-N 2.69Å; W193-I196 HydrophobicContact CE3-CB 4.17Å; W193-I196 HydrophobicContact CE3-CD1 3.64Å; W193-I196 HydrophobicContact CE3-CG1 4.49Å; W193-I196 HydrophobicContact CE3-CG2 4.06Å; W193-I196 HydrophobicContact CZ3-CB 4.46Å; W193-I196 HydrophobicContact CZ3-CD1 3.67Å; W193-I196 HydrophobicContact CZ3-CG2 3.95Å; W193-I196 PolarHBondContact O-N 2.84Å; I196-R198 VanDerWaalsContact C-N 3.3Å; I196-R198 PolarHBondContact O-N 3.34Å; I196-V199 PolarHBondContact O-N 3.29Å; I196-V199 VanDerWaalsContact O-N 3.15Å; I196-F200 HydrophobicContact CG2-CD2 3.55Å; I196-F200 HydrophobicContact CG2-CE2 3.58Å; I196-F200 WeakPolarHBondContact O-CD2 3.36Å; I196-F200 PolarHBondContact O-N 2.84Å
197	K	46.8	Very low	45.3	Very low	129 Å²	129	110.5 Å²	110.5	56%	0.561	60%	0.598	S	S	*	*	H	α-helix	trans	-61	-36.4	173.3	-79	179.8	179	173.7	0	113.1	W193 D194 S201	W193-K197 PolarHBondContact O-N 2.72Å; D194-K197 PolarHBondContact O-N 2.98Å; K197-S201 WeakPolarHBondContact O-CB 3.33Å; K197-S201 PolarHBondContact O-N 2.84Å; K197-S201 PolarHBondContact O-OG 3.25Å
198	R	50.8	Low	44.3	Very low	194 Å²	194	112.8 Å²	112.8	73%	0.732	62%	0.62	S	S	*	*	H	α-helix	trans	-67.2	-34.3	174.1	-106.3	177.7	160.7	165.7	-3.9	113	D194 N195 I196 S201	D194-R198 PolarHBondContact O-N 3.03Å; N195-R198 WeakPolarHBondContact O-CB 3.44Å; N195-R198 PolarHBondContact O-N 2.84Å; I196-R198 VanDerWaalsContact C-N 3.3Å; I196-R198 PolarHBondContact O-N 3.34Å; R198-S201 PolarHBondContact O-OG 3.06Å
199	V	49.4	Very low	43.2	Very low	101 Å²	101	117.1 Å²	117.1	61%	0.612	64%	0.635	S	S	*	*	H	α-helix	trans	-73.6	-39.4	176.3	172.6	0	0	0	0	111	N195 I196 S201 S202	N195-V199 WeakPolarHBondContact O-CG2 3.44Å; N195-V199 PolarHBondContact O-N 3.26Å; I196-V199 PolarHBondContact O-N 3.29Å; I196-V199 VanDerWaalsContact O-N 3.15Å; V199-S201 VanDerWaalsContact C-N 3.32Å; V199-S201 PolarHBondContact O-N 2.79Å; V199-S202 PolarHBondContact O-OG 3.28Å
200	F	41.9	Very low	42.1	Very low	173 Å²	173	119.5 Å²	119.5	76%	0.759	65%	0.645	S	S	*	*	H	α-helix	trans	-79.1	-5.5	-179.9	-75.9	-66.5	0	0	0	115.4	I196	I196-F200 HydrophobicContact CG2-CD2 3.55Å; I196-F200 HydrophobicContact CG2-CE2 3.58Å; I196-F200 WeakPolarHBondContact O-CD2 3.36Å; I196-F200 PolarHBondContact O-N 2.84Å
201	S	44.2	Very low	41.2	Very low	95 Å²	95	127.1 Å²	127.1	66%	0.664	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	7.4	175.3	42.4	0	0	0	0	114	K197 R198 V199	K197-S201 WeakPolarHBondContact O-CB 3.33Å; K197-S201 PolarHBondContact O-N 2.84Å; K197-S201 PolarHBondContact O-OG 3.25Å; R198-S201 PolarHBondContact O-OG 3.06Å; V199-S201 VanDerWaalsContact C-N 3.32Å; V199-S201 PolarHBondContact O-N 2.79Å
202	S	42.6	Very low	40.2	Very low	91 Å²	91	134 Å²	134	64%	0.636	69%	0.694	S	S	*	*	S	Bend	trans	-108.1	25.1	-174.3	65.7	0	0	0	0	116.1	V199	V199-S202 PolarHBondContact O-OG 3.28Å
203	Q	41.3	Very low	38.9	Very low	187 Å²	187	134.1 Å²	134.1	87%	0.874	71%	0.71	S	S	*	*			trans	-138.5	99.3	170.4	-77.5	-172.3	-22.6	0	0	112.6
204	A	31	Very low	38	Very low	96 Å²	96	133.5 Å²	133.5	79%	0.793	72%	0.723	S	S	*	*			trans	-178.5	97.1	142.8	0	0	0	0	0	111.1
205	D	33	Very low	37	Very low	163 Å²	163	136.4 Å²	136.4	87%	0.872	74%	0.739	S	S	*	*			trans	55.6	153.4	138	-77	-10.2	0	0	0	125.6
206	P	39.7	Very low	36.3	Very low	103 Å²	103	137.4 Å²	137.4	67%	0.669	75%	0.751	S	S	*	*			trans	-116.9	-178	-149	38.6	-22	0	0	0	115.5
207	E	27.7	Very low	35.3	Very low	192 Å²	192	139.1 Å²	139.1	90%	0.897	77%	0.773	S	S	*	*			trans	85.2	130.6	171.3	-56.1	-178.7	168.4	0	0	115.6
208	A	29.1	Very low	34.4	Very low	96 Å²	96	141 Å²	141	79%	0.793	79%	0.789	S	S	*	*			cis	-154.8	143.9	20.2	0	0	0	0	0	113.8
209	E	29.1	Very low	33.5	Very low	171 Å²	171	137.1 Å²	137.1	80%	0.799	79%	0.789	S	S	*	*			trans	36.1	122.3	143.4	-66.4	-171.3	154.7	0	0	125.4
210	N	28.2	Very low	32.6	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	80%	0.797	S	S	*	*			trans	69.8	107.2	130	-69.9	-23.1	0	0	0	121.3
211	K	29.1	Very low	31.9	Very low	211 Å²	211	137.8 Å²	137.8	92%	0.917	80%	0.804	S	S	*	*				-158.5	124.7	119.4	-107.9	167.8	-173.6	179.9	0	111.7
212	E	28.4	Very low	31.1	Very low	201 Å²	201	139.5 Å²	139.5	94%	0.939	81%	0.811	S	S	*	*			trans	-62.3	139.7	172.3	-68.7	173.6	140	0	0	111.7
213	G	27.7	Very low	30.4	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	82%	0.816	S	S	*	*			trans	-172.6	95.7	171.3	0	0	0	0	0	109.1
214	T	29.5	Very low	29.6	Very low	143 Å²	143	139.7 Å²	139.7	88%	0.877	81%	0.814	S	S	*	*			trans	-56.6	130.4	-179.2	44.7	0	0	0	0	113.7
215	D	28.7	Very low	29.6	Very low	160 Å²	160	144.1 Å²	144.1	86%	0.856	82%	0.818	S	S	*	*			trans	-140.2	143.3	155.9	-115.9	-18	0	0	0	110.8
216	P	33.8	Very low	29.3	Very low	113 Å²	113	145 Å²	145	73%	0.734	82%	0.818	S	S	*	*			trans	-88.8	140.7	-163	34.4	-32.4	0	0	0	113.5
217	A	29.4	Very low	28.9	Very low	92 Å²	92	149.1 Å²	149.1	76%	0.76	83%	0.828	S	S	*	*			trans	35.7	96.7	145.6	0	0	0	0	0	118.4	P219	A217-P219 WeakPolarHBondContact O-CD 3.47Å
218	N	27.3	Very low	29.5	Very low	169 Å²	169	145.8 Å²	145.8	90%	0.904	81%	0.812	S	S	*	*			trans	-61.2	119.5	150.3	-105.8	-15.4	0	0	0	109.6
219	P	32.2	Very low	29.9	Very low	112 Å²	112	150.4 Å²	150.4	73%	0.727	81%	0.814	S	S	*	*			trans	-75.8	127.3	160.5	-0.7	19.5	0	0	0	107.7	A217 E221	A217-P219 WeakPolarHBondContact O-CD 3.47Å; P219-E221 PolarHBondContact O-N 3.05Å
220	A	30.1	Very low	31.1	Very low	95 Å²	95	147.6 Å²	147.6	79%	0.785	81%	0.809	S	S	*	*			trans	-55.2	109.9	167.7	0	0	0	0	0	109.8	T222	A220-T222 VanDerWaalsContact C-N 3.35Å; A220-T222 PolarHBondContact O-N 3.49Å
221	E	28.2	Very low	32.7	Very low	192 Å²	192	147.6 Å²	147.6	90%	0.897	80%	0.804	S	S	*	*			trans	-70.8	96.1	161.9	-80.1	-174.8	159.1	0	0	107.8	P219 A223	P219-E221 PolarHBondContact O-N 3.05Å; E221-A223 VanDerWaalsContact C-N 3.25Å; E221-A223 PolarHBondContact O-N 2.79Å
222	T	26.4	Very low	34.7	Very low	131 Å²	131	145.2 Å²	145.2	80%	0.804	80%	0.802	S	S	*	*			trans	-60	95.7	152.4	22.5	0	0	0	0	107.4	A220 K224	A220-T222 VanDerWaalsContact C-N 3.35Å; A220-T222 PolarHBondContact O-N 3.49Å; T222-K224 PolarHBondContact O-N 2.97Å
223	A	29.2	Very low	36.8	Very low	91 Å²	91	136.2 Å²	136.2	75%	0.752	76%	0.762	S	S	*	*			trans	-55.4	103.2	162.9	0	0	0	0	0	107.4	E221 E225	E221-A223 VanDerWaalsContact C-N 3.25Å; E221-A223 PolarHBondContact O-N 2.79Å; A223-E225 PolarHBondContact O-N 3.14Å; A223-E225 VanDerWaalsContact O-N 3.12Å
224	K	24.6	Very low	39.5	Very low	192 Å²	192	134.4 Å²	134.4	84%	0.835	74%	0.735	S	S	*	*			trans	-63.7	109.1	161	-80.9	179.2	174.3	178.3	0	105.7	T222 E226	T222-K224 PolarHBondContact O-N 2.97Å; K224-E226 VanDerWaalsContact C-N 3.3Å; K224-E226 PolarHBondContact O-N 3.18Å
225	E	29.8	Very low	42.4	Very low	188 Å²	188	129.2 Å²	129.2	88%	0.879	70%	0.699	S	S	*	*			trans	-57.2	100.8	159.2	-72	178	154.9	0	0	106.6	A223 E227	A223-E225 PolarHBondContact O-N 3.14Å; A223-E225 VanDerWaalsContact O-N 3.12Å; E225-E227 PolarHBondContact O-N 2.83Å; E225-E227 VanDerWaalsContact O-N 3.13Å
226	E	27.7	Very low	45.5	Very low	183 Å²	183	125.6 Å²	125.6	86%	0.855	68%	0.677	S	S	*	*			trans	-66.7	106.9	162.6	-77.1	-175.6	161.1	0	0	106.4	K224 E228	K224-E226 VanDerWaalsContact C-N 3.3Å; K224-E226 PolarHBondContact O-N 3.18Å; E226-E228 VanDerWaalsContact C-N 3.33Å; E226-E228 PolarHBondContact O-N 3.06Å
227	E	31.4	Very low	48.4	Very low	188 Å²	188	121.1 Å²	121.1	88%	0.879	65%	0.646	S	S	*	*			trans	-55.1	100.1	162.9	-74.7	-180	154.8	0	0	107.6	E225 K229	E225-E227 PolarHBondContact O-N 2.83Å; E225-E227 VanDerWaalsContact O-N 3.13Å; E227-K229 PolarHBondContact O-N 3.11Å
228	E	38.7	Very low	51.5	Low	123 Å²	123	121 Å²	121	58%	0.575	64%	0.637	S	S	*	*			trans	-54.3	105.2	164.4	-94.7	-179.7	146.5	0	0	106.9	K178 E226 V230	K178-E228 IonicContact NZ-OE2 2.66Å; K178-E228 PolarHBondContact NZ-OE2 3.48Å; E226-E228 VanDerWaalsContact C-N 3.33Å; E226-E228 PolarHBondContact O-N 3.06Å; E228-V230 PolarHBondContact O-N 3.07Å
229	K	38.1	Very low	54.8	Low	192 Å²	192	113.8 Å²	113.8	84%	0.835	60%	0.597	S	S	*	*			trans	-53.5	117.5	166.7	-80.6	-178.4	174.8	178.6	0	107.1	E227 E231	E227-K229 PolarHBondContact O-N 3.11Å; K229-E231 PolarHBondContact O-N 3.32Å
230	V	54.3	Low	57.8	Low	112 Å²	112	113.8 Å²	113.8	68%	0.679	59%	0.586	S	S	*	*			trans	-63.3	102.2	171.8	-178.5	0	0	0	0	106.8	E228	E228-V230 PolarHBondContact O-N 3.07Å
231	E	63	Low	61	Low	138 Å²	138	114 Å²	114	65%	0.645	58%	0.581	S	S	*	*			trans	-64.8	147.1	175.2	-72.2	-173.2	158.9	0	0	110.6	K229 M234	K229-E231 PolarHBondContact O-N 3.32Å; E231-M234 HydrophobicContact CB-CG 4.02Å; E231-M234 WeakPolarHBondContact O-CB 3.46Å; E231-M234 VanDerWaalsContact O-CG 3.28Å; E231-M234 WeakPolarHBondContact O-CG 3.48Å; E231-M234 PolarHBondContact O-N 2.85Å
232	D	69.9	Low	64.2	Low	162 Å²	162	106.6 Å²	106.6	87%	0.866	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	138	-180	-168.6	25	0	0	0	111.4	M234	D232-M234 PolarHBondContact O-N 3.47Å
233	G	72.4	Confident	67.6	Low	11 Å²	11	103.3 Å²	103.3	11%	0.113	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	5.5	-179.9	0	0	0	0	0	116.8	A38 R42 K246	A38-G233 WeakPolarHBondContact CB-O 3.21Å; R42-G233 PolarHBondContact NH1-O 3.38Å; G233-K246 PolarHBondContact O-NZ 2.94Å
234	M	85.1	Confident	70.8	Confident	35 Å²	35	99.7 Å²	99.7	17%	0.172	50%	0.495	C	S	.	.	S	Bend	trans	-72.8	-35.3	175.8	-70.1	-69.3	-84.1	0	0	113	R42 E231 D232 K246 P250	R42-M234 VanDerWaalsContact CD-SD 3.53Å; E231-M234 HydrophobicContact CB-CG 4.02Å; E231-M234 WeakPolarHBondContact O-CB 3.46Å; E231-M234 VanDerWaalsContact O-CG 3.28Å; E231-M234 WeakPolarHBondContact O-CG 3.48Å; E231-M234 PolarHBondContact O-N 2.85Å; D232-M234 PolarHBondContact O-N 3.47Å; M234-K246 PolarHBondContact O-NZ 3.39Å; M234-P250 HydrophobicContact CB-CG 4.23Å; M234-P250 HydrophobicContact CE-CG 3.51Å; M234-P250 WeakPolarHBondContact O-CD 3.38Å; M234-P250 WeakPolarHBondContact O-CG 3.43Å; M234-P250 HydrophobicContact SD-CB 4.44Å; M234-P250 HydrophobicContact SD-CG 3.53Å; M234-P250 VanDerWaalsContact SD-CG 3.53Å
235	W	90.5	Very high	74.1	Confident	34 Å²	34	92.3 Å²	92.3	13%	0.129	47%	0.467	C	S	.	.	S	Bend	trans	-117.9	-118.1	-178.1	-63.6	96.1	0	0	0	110.4	R177 E237 K246	R177-W235 VanDerWaalsContact CA-CH2 3.49Å; R177-W235 HydrophobicContact CB-CD2 4.5Å; R177-W235 HydrophobicContact CB-CE3 4.21Å; R177-W235 HydrophobicContact CB-CH2 3.49Å; R177-W235 VanDerWaalsContact CB-CH2 3.49Å; R177-W235 HydrophobicContact CB-CZ2 3.79Å; R177-W235 HydrophobicContact CB-CZ3 3.71Å; R177-W235 HydrophobicContact CG-CD2 3.78Å; R177-W235 HydrophobicContact CG-CE3 3.89Å; R177-W235 HydrophobicContact CG-CG 4.49Å; R177-W235 HydrophobicContact CG-CH2 3.79Å; R177-W235 HydrophobicContact CG-CZ2 3.66Å; R177-W235 HydrophobicContact CG-CZ3 3.9Å; W235-E237 PolarHBondContact O-N 3.01Å; W235-K246 WeakPolarHBondContact O-CB 3.19Å; W235-K246 WeakPolarHBondContact O-CE 3.35Å; W235-K246 PolarHBondContact O-NZ 2.92Å
236	E	93.3	Very high	77.1	Confident	85 Å²	85	83.8 Å²	83.8	40%	0.397	43%	0.427	S	S	.	.			trans	-55	137.8	178	-63.1	91.6	155.6	0	0	111.6	R177 T243 D244	R177-E236 IonicContact CZ-OE1 3.42Å; R177-E236 IonicContact CZ-OE2 2.84Å; R177-E236 IonicContact NH1-OE1 3.41Å; R177-E236 PolarHBondContact NH1-OE1 3.28Å; R177-E236 IonicContact NH1-OE2 3.99Å; R177-E236 PolarHBondContact NH1-OE2 3.31Å; R177-E236 IonicContact NH2-OE1 3.52Å; R177-E236 PolarHBondContact NH2-OE1 2.8Å; R177-E236 IonicContact NH2-OE2 3.56Å; R177-E236 PolarHBondContact NH2-OE2 2.82Å; E236-T243 HydrophobicContact CB-CG2 4.32Å; E236-D244 VanDerWaalsContact CA-O 3.28Å; E236-D244 WeakPolarHBondContact CA-O 3.36Å
237	E	93.7	Very high	80.1	Confident	19 Å²	19	79 Å²	79	9%	0.089	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126	178.9	-173.7	-175.2	143.3	0	0	109	K32 A38 W235 T243 D244	K32-E237 IonicContact NZ-OE1 3.33Å; K32-E237 PolarHBondContact NZ-OE1 3.07Å; A38-E237 WeakPolarHBondContact CB-OE2 3.27Å; W235-E237 PolarHBondContact O-N 3.01Å; E237-T243 WeakPolarHBondContact O-CA 3.33Å; E237-D244 PolarHBondContact N-O 3.29Å; E237-D244 PolarHBondContact O-N 3.22Å
238	T	95.7	Very high	82.7	Confident	90 Å²	90	70.8 Å²	70.8	55%	0.552	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.4	177.8	-57	0	0	0	0	110.2	K240 H242 T243	T238-K240 WeakPolarHBondContact CG2-O 3.35Å; T238-H242 CarbonylContact C-O 3.55Å; T238-H242 VanDerWaalsContact CA-O 3.29Å; T238-H242 WeakPolarHBondContact CA-O 3.39Å; T238-T243 PolarHBondContact OG1-OG1 2.75Å
239	F	96.7	Very high	85.3	Confident	17 Å²	17	65 Å²	65	8%	0.075	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.6	168.6	-177.9	-108.6	0	0	0	109.3	N30 K32 S241 H242 E562	N30-F239 WeakPolarHBondContact O-CE1 3.49Å; K32-F239 HydrophobicContact CD-CD2 4.35Å; K32-F239 HydrophobicContact CD-CG 4.4Å; K32-F239 HydrophobicContact CG-CD1 4.31Å; K32-F239 HydrophobicContact CG-CD2 3.68Å; K32-F239 HydrophobicContact CG-CE1 4.25Å; K32-F239 HydrophobicContact CG-CE2 3.61Å; K32-F239 HydrophobicContact CG-CG 4.03Å; K32-F239 HydrophobicContact CG-CZ 3.91Å; F239-S241 PolarHBondContact O-N 3.27Å; F239-H242 PolarHBondContact N-O 3.38Å; F239-H242 PolarHBondContact O-N 3.25Å; F239-E562 HydrophobicContact CD1-CG 4.02Å; F239-E562 HydrophobicContact CE1-CG 3.65Å; F239-E562 HydrophobicContact CZ-CG 4.47Å
240	K	95.9	Very high	88	Confident	112 Å²	112	56.1 Å²	56.1	49%	0.487	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-118.4	-168.3	-57.6	-166.6	175.6	-160.6	0	111.3	G29 N30 T238	G29-K240 WeakPolarHBondContact O-CE 3.34Å; G29-K240 PolarHBondContact O-NZ 2.84Å; G29-K240 VanDerWaalsContact O-NZ 3.1Å; N30-K240 PolarHBondContact OD1-NZ 2.84Å; T238-K240 WeakPolarHBondContact CG2-O 3.35Å
241	S	95.6	Very high	90.1	Very high	99 Å²	99	51.3 Å²	51.3	69%	0.692	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-5.6	178.9	43.4	0	0	0	0	114	F239	F239-S241 PolarHBondContact O-N 3.27Å
242	H	96.8	Very high	91.8	Very high	36 Å²	36	44.7 Å²	44.7	17%	0.167	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.3	-173.5	-58.1	-77.6	0	0	0	110.1	T238 F239 N559 P561 H566	T238-H242 CarbonylContact C-O 3.55Å; T238-H242 VanDerWaalsContact CA-O 3.29Å; T238-H242 WeakPolarHBondContact CA-O 3.39Å; F239-H242 PolarHBondContact N-O 3.38Å; F239-H242 PolarHBondContact O-N 3.25Å; H242-N559 PolarHBondContact CE1-O 2.84Å; H242-P561 HydrophobicContact CB-CB 3.85Å; H242-P561 HydrophobicContact CB-CG 4.23Å; H242-H566 AromaticContact CG-NE2 3.94Å; H242-H566 AromaticContact ND1-CE1 3.68Å; H242-H566 AromaticContact ND1-NE2 3.06Å; H242-H566 PolarHBondContact ND1-NE2 3.27Å
243	T	96.6	Very high	93.1	Very high	63 Å²	63	37 Å²	37	39%	0.387	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.3	175.7	-58.7	0	0	0	0	109.4	E236 E237 T238	E236-T243 HydrophobicContact CB-CG2 4.32Å; E237-T243 WeakPolarHBondContact O-CA 3.33Å; T238-T243 PolarHBondContact OG1-OG1 2.75Å
244	D	96.9	Very high	94.4	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.3	167.9	175.4	7.8	0	0	0	108.8	E236 E237 K246 R577	E236-D244 VanDerWaalsContact CA-O 3.28Å; E236-D244 WeakPolarHBondContact CA-O 3.36Å; E237-D244 PolarHBondContact N-O 3.29Å; E237-D244 PolarHBondContact O-N 3.22Å; D244-K246 VanDerWaalsContact C-N 3.29Å; D244-K246 PolarHBondContact O-N 3.5Å; D244-K246 PolarHBondContact OD1-N 2.83Å; D244-R577 IonicContact OD1-CZ 2.65Å; D244-R577 IonicContact OD1-NH2 2.84Å; D244-R577 PolarHBondContact OD1-NH2 3.17Å; D244-R577 IonicContact OD2-CZ 3.86Å; D244-R577 IonicContact OD2-NH1 3.05Å; D244-R577 PolarHBondContact OD2-NH1 3.46Å; D244-R577 IonicContact OD2-NH2 3.73Å; D244-R577 PolarHBondContact OD2-NH2 2.84Å
245	S	94.3	Very high	95	Very high	37 Å²	37	34.9 Å²	34.9	26%	0.259	20%	0.196	S	C	.	.			trans	-72.4	-20.5	178.7	61	0	0	0	0	114	D568	S245-D568 VanDerWaalsContact CB-OD2 3.27Å; S245-D568 WeakPolarHBondContact CB-OD2 3.14Å; S245-D568 PolarHBondContact N-OD2 3.3Å; S245-D568 PolarHBondContact OG-OD2 3.19Å
246	K	93.1	Very high	95.4	Very high	9 Å²	9	33.3 Å²	33.3	4%	0.039	19%	0.191	C	C	.	.			trans	41.9	60.4	176.5	-167.3	128.7	63.5	63.6	0	113.2	G233 M234 W235 D244 S248 G249	G233-K246 PolarHBondContact O-NZ 2.94Å; M234-K246 PolarHBondContact O-NZ 3.39Å; W235-K246 WeakPolarHBondContact O-CB 3.19Å; W235-K246 WeakPolarHBondContact O-CE 3.35Å; W235-K246 PolarHBondContact O-NZ 2.92Å; D244-K246 VanDerWaalsContact C-N 3.29Å; D244-K246 PolarHBondContact O-N 3.5Å; D244-K246 PolarHBondContact OD1-N 2.83Å; K246-S248 PolarHBondContact O-N 2.9Å; K246-S248 VanDerWaalsContact O-N 3.1Å; K246-G249 WeakPolarHBondContact CG-O 3.48Å; K246-G249 PolarHBondContact O-N 2.66Å
247	P	89.3	Confident	95.7	Very high	81 Å²	81	29.3 Å²	29.3	53%	0.526	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.1	-170.5	25.8	-35.9	0	0	0	113.4	E575	P247-E575 WeakPolarHBondContact CD-OE1 3.25Å
248	S	87.2	Confident	95.9	Very high	16 Å²	16	28.6 Å²	28.6	11%	0.112	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.2	-180	-50.2	0	0	0	0	113.7	K103 K246 E575	K103-S248 WeakPolarHBondContact CE-OG 3.48Å; K103-S248 PolarHBondContact NZ-OG 2.87Å; K246-S248 PolarHBondContact O-N 2.9Å; K246-S248 VanDerWaalsContact O-N 3.1Å; S248-E575 PolarHBondContact OG-OE2 2.86Å
249	G	92.8	Very high	96	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	14%	0.142	C	C	.	.			trans	64.5	-150.1	-172.4	0	0	0	0	0	112.5	K246	K246-G249 WeakPolarHBondContact CG-O 3.48Å; K246-G249 PolarHBondContact O-N 2.66Å
250	P	95.7	Very high	95.9	Very high	7 Å²	7	25 Å²	25	5%	0.045	15%	0.149	C	C	.	.			trans	-68.9	129.5	174.3	-15.4	31	0	0	0	111.4	E172 M234	E172-P250 HydrophobicContact CB-CB 4.14Å; E172-P250 HydrophobicContact CG-CB 4.32Å; E172-P250 WeakPolarHBondContact OE2-CA 3.22Å; E172-P250 WeakPolarHBondContact OE2-CB 3.43Å; M234-P250 HydrophobicContact CB-CG 4.23Å; M234-P250 HydrophobicContact CE-CG 3.51Å; M234-P250 WeakPolarHBondContact O-CD 3.38Å; M234-P250 WeakPolarHBondContact O-CG 3.43Å; M234-P250 HydrophobicContact SD-CB 4.44Å; M234-P250 HydrophobicContact SD-CG 3.53Å; M234-P250 VanDerWaalsContact SD-CG 3.53Å
251	S	97.2	Very high	95.7	Very high	10 Å²	10	20.6 Å²	20.6	7%	0.07	14%	0.136	C	C	.	.			trans	-140.2	11.8	-178.6	62.1	0	0	0	0	114.1	R105 E172 E367	R105-S251 PolarHBondContact NH1-O 3.48Å; E172-S251 WeakPolarHBondContact O-CA 3.5Å; E172-S251 PolarHBondContact OE2-N 3.23Å; S251-E367 CarbonylContact C-O 3.55Å; S251-E367 PolarHBondContact OG-O 3.14Å
252	A	98.3	Very high	95.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.103	C	C	.	.			trans	-68.5	150.5	-173.4	0	0	0	0	0	113.3	F39 Q43 E172 S366 E367	F39-A252 HydrophobicContact CB-CB 3.86Å; F39-A252 HydrophobicContact CD2-CB 3.88Å; F39-A252 HydrophobicContact CG-CB 4.25Å; Q43-A252 HydrophobicContact CG-CB 4.1Å; E172-A252 WeakPolarHBondContact CB-O 3.42Å; E172-A252 HydrophobicContact CG-CB 4.42Å; E172-A252 PolarHBondContact N-O 2.89Å; E172-A252 WeakPolarHBondContact OE2-CB 2.99Å; E172-A252 PolarHBondContact OE2-N 3.07Å; A252-S366 CarbonylContact C-O 3.55Å; A252-S366 WeakPolarHBondContact CA-O 3.5Å; A252-S366 VanDerWaalsContact CB-O 3.26Å; A252-S366 WeakPolarHBondContact CB-O 3.49Å; A252-E367 WeakPolarHBondContact CA-O 3.37Å; A252-E367 PolarHBondContact N-O 3.4Å; A252-E367 VanDerWaalsContact N-O 3.15Å
253	V	98.8	Very high	95.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.2	174.5	-64.5	0	0	0	0	109.3	G170 F171 W324 I365 S366 I371	G170-V253 CarbonylContact O-C 3.57Å; G170-V253 WeakPolarHBondContact O-CA 3.34Å; F171-V253 HydrophobicContact CD2-CG1 3.81Å; F171-V253 HydrophobicContact CE1-CG1 4.48Å; F171-V253 HydrophobicContact CE2-CG1 3.71Å; F171-V253 HydrophobicContact CG-CG1 4.28Å; F171-V253 HydrophobicContact CZ-CG1 4.06Å; V253-W324 HydrophobicContact CG2-CZ2 4.15Å; V253-I365 WeakPolarHBondContact O-CA 3.31Å; V253-S366 PolarHBondContact N-O 2.88Å; V253-S366 PolarHBondContact O-N 2.89Å; V253-I371 HydrophobicContact CB-CD1 4.32Å; V253-I371 HydrophobicContact CB-CG1 3.75Å; V253-I371 HydrophobicContact CG1-CG1 4.28Å; V253-I371 HydrophobicContact CG2-CG1 4.16Å
254	S	98.7	Very high	95.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	150.6	174.4	68.8	0	0	0	0	112.6	Q43 L168 L169 G170 R363 W364	Q43-S254 PolarHBondContact OE1-OG 2.75Å; L168-S254 PolarHBondContact O-OG 2.96Å; L169-S254 WeakPolarHBondContact CA-O 3.5Å; L169-S254 WeakPolarHBondContact CD1-O 3.3Å; G170-S254 WeakPolarHBondContact CA-OG 3.48Å; G170-S254 PolarHBondContact N-O 3.07Å; G170-S254 PolarHBondContact N-OG 2.84Å; G170-S254 PolarHBondContact O-N 2.89Å; S254-R363 PolarHBondContact OG-NH2 3.39Å; S254-R363 VanDerWaalsContact OG-NH2 3.1Å; S254-W364 CarbonylContact C-O 3.51Å; S254-W364 WeakPolarHBondContact CA-O 3.33Å; S254-W364 WeakPolarHBondContact CB-O 3.43Å
255	L	98.8	Very high	95.8	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	135.2	177	-177.2	59	0	0	0	110.4	L163 N164 L169 F257 W324 R363 W364 I371	L163-L255 HydrophobicContact CB-CD1 4.48Å; L163-L255 HydrophobicContact CB-CD2 4.48Å; L163-L255 HydrophobicContact CD2-CD2 4.13Å; L163-L255 HydrophobicContact CG-CD2 4.44Å; N164-L255 HydrophobicContact CB-CD1 3.92Å; L169-L255 HydrophobicContact CB-CD1 4.22Å; L169-L255 HydrophobicContact CD1-CD1 4.28Å; L255-F257 HydrophobicContact CB-CE2 4.18Å; L255-F257 HydrophobicContact CD2-CE1 4.27Å; L255-F257 HydrophobicContact CD2-CE2 4.17Å; L255-F257 HydrophobicContact CD2-CZ 3.69Å; L255-F257 HydrophobicContact CG-CE2 3.99Å; L255-F257 HydrophobicContact CG-CZ 4.02Å; L255-W324 HydrophobicContact CB-CH2 4.02Å; L255-W324 HydrophobicContact CB-CZ3 3.91Å; L255-W324 HydrophobicContact CD2-CZ3 4.37Å; L255-R363 WeakPolarHBondContact O-CA 3.44Å; L255-W364 PolarHBondContact N-O 3.29Å; L255-W364 PolarHBondContact O-N 3.12Å; L255-I371 HydrophobicContact CB-CD1 4.39Å; L255-I371 HydrophobicContact CD2-CG2 4.11Å
256	D	98.6	Very high	96	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	147.4	171.7	62.6	-74.9	0	0	0	112.7	L163 N164 S165 R166 L168 V362 R363	L163-D256 WeakPolarHBondContact CA-O 3.4Å; N164-D256 WeakPolarHBondContact CA-OD1 3.16Å; N164-D256 WeakPolarHBondContact CA-OD2 3.3Å; N164-D256 PolarHBondContact N-O 3.02Å; N164-D256 PolarHBondContact OD1-OD1 2.97Å; S165-D256 PolarHBondContact N-OD2 3.43Å; S165-D256 VanDerWaalsContact N-OD2 3.09Å; S165-D256 PolarHBondContact OG-OD2 2.94Å; R166-D256 VanDerWaalsContact CB-OD2 3.3Å; R166-D256 WeakPolarHBondContact CB-OD2 3.25Å; R166-D256 PolarHBondContact N-OD2 2.94Å; L168-D256 VanDerWaalsContact CA-OD1 3.31Å; L168-D256 WeakPolarHBondContact CA-OD1 3.08Å; L168-D256 HydrophobicContact CB-CB 4.07Å; L168-D256 VanDerWaalsContact CB-OD1 3.27Å; L168-D256 WeakPolarHBondContact CB-OD1 3.5Å; L168-D256 HydrophobicContact CD1-CB 4.34Å; L168-D256 PolarHBondContact N-OD1 3.07Å; D256-V362 CarbonylContact C-O 3.49Å; D256-V362 WeakPolarHBondContact CA-O 3.15Å; D256-R363 HydrophobicContact CB-CB 4.42Å; D256-R363 HydrophobicContact CB-CG 4.42Å
257	F	98.7	Very high	96.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.4	176.5	-57.9	-99.5	0	0	0	108.7	M161 S162 L163 L255 I322 W324 D361 V362 W364 V373 L375	M161-F257 HydrophobicContact SD-CD1 3.84Å; S162-F257 CarbonylContact O-C 3.48Å; S162-F257 VanDerWaalsContact O-CA 3.22Å; S162-F257 WeakPolarHBondContact O-CA 3.47Å; L163-F257 HydrophobicContact CD1-CD1 3.94Å; L163-F257 HydrophobicContact CD1-CE1 4.14Å; L163-F257 HydrophobicContact CD2-CD1 4.46Å; L163-F257 HydrophobicContact CD2-CE1 3.88Å; L163-F257 HydrophobicContact CG-CD1 3.66Å; L163-F257 HydrophobicContact CG-CE1 3.57Å; L255-F257 HydrophobicContact CB-CE2 4.18Å; L255-F257 HydrophobicContact CD2-CE1 4.27Å; L255-F257 HydrophobicContact CD2-CE2 4.17Å; L255-F257 HydrophobicContact CD2-CZ 3.69Å; L255-F257 HydrophobicContact CG-CE2 3.99Å; L255-F257 HydrophobicContact CG-CZ 4.02Å; F257-I322 HydrophobicContact CB-CD1 3.89Å; F257-I322 HydrophobicContact CD1-CD1 3.87Å; F257-I322 HydrophobicContact CD1-CG1 4.5Å; F257-I322 HydrophobicContact CD2-CD1 4.36Å; F257-I322 HydrophobicContact CE1-CG2 4.27Å; F257-I322 HydrophobicContact CE2-CG2 4.5Å; F257-I322 HydrophobicContact CG-CD1 3.78Å; F257-I322 HydrophobicContact CZ-CG2 4.21Å; F257-W324 HydrophobicContact CE2-CE3 4.38Å; F257-W324 HydrophobicContact CE2-CZ3 4.31Å; F257-W324 HydrophobicContact CZ-CE3 4.34Å; F257-W324 HydrophobicContact CZ-CZ3 4.29Å; F257-D361 CarbonylContact O-C 3.54Å; F257-D361 VanDerWaalsContact O-CA 3.31Å; F257-D361 WeakPolarHBondContact O-CA 3.26Å; F257-V362 PolarHBondContact N-O 2.8Å; F257-V362 PolarHBondContact O-N 3.33Å; F257-W364 AromaticContact CD2-CD1 3.56Å; F257-W364 AromaticContact CD2-NE1 3.96Å; F257-W364 AromaticContact CE2-CD1 3.42Å; F257-W364 VanDerWaalsContact CE2-CD1 3.42Å; F257-W364 HydrophobicContact CE2-CG 4.29Å; F257-W364 AromaticContact CE2-NE1 3.99Å; F257-V373 HydrophobicContact CE1-CG1 4.38Å; F257-V373 HydrophobicContact CE1-CG2 4.07Å; F257-V373 HydrophobicContact CZ-CB 4.38Å; F257-V373 HydrophobicContact CZ-CG1 4.19Å; F257-V373 HydrophobicContact CZ-CG2 3.84Å; F257-L375 HydrophobicContact CD1-CD2 4.43Å; F257-L375 HydrophobicContact CE1-CD2 3.92Å
258	S	98.1	Very high	96.7	Very high	4 Å²	4	10.9 Å²	10.9	3%	0.028	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.8	169.5	-67.5	0	0	0	0	110.4	M161 S162 S165 P260 Q359 D361	M161-S258 WeakPolarHBondContact CA-O 3.3Å; S162-S258 PolarHBondContact N-O 2.83Å; S162-S258 PolarHBondContact O-N 2.76Å; S165-S258 PolarHBondContact OG-OG 2.82Å; S258-P260 WeakPolarHBondContact O-CD 3.45Å; S258-Q359 PolarHBondContact OG-NE2 2.96Å; S258-D361 WeakPolarHBondContact CA-OD1 3.36Å; S258-D361 WeakPolarHBondContact CB-OD1 3.48Å; S258-D361 PolarHBondContact OG-OD1 3.34Å
259	L	97.3	Very high	97.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	84.4	-177	-55.7	170.3	0	0	0	110	M161 V262 V265 M320 I322 Q359 T360 V362	M161-L259 HydrophobicContact CB-CD2 4.4Å; M161-L259 HydrophobicContact CE-CD2 3.71Å; M161-L259 HydrophobicContact CG-CD2 3.91Å; M161-L259 HydrophobicContact SD-CD2 4.43Å; L259-V262 HydrophobicContact CB-CB 3.85Å; L259-V262 HydrophobicContact CB-CG1 4.38Å; L259-V262 HydrophobicContact CB-CG2 3.94Å; L259-V262 WeakPolarHBondContact O-CB 3.45Å; L259-V262 PolarHBondContact O-N 3.26Å; L259-V265 HydrophobicContact CD1-CG1 3.93Å; L259-M320 HydrophobicContact CD2-CE 4.38Å; L259-I322 HydrophobicContact CD2-CD1 4.42Å; L259-Q359 WeakPolarHBondContact O-CA 3.46Å; L259-T360 WeakPolarHBondContact CB-O 3.46Å; L259-T360 PolarHBondContact N-O 2.94Å; L259-T360 PolarHBondContact O-N 3.31Å; L259-V362 HydrophobicContact CD1-CG2 4.17Å
260	P	94.8	Very high	97.6	Very high	31 Å²	31	10.2 Å²	10.2	20%	0.201	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	140.1	178.5	-20.5	33.6	0	0	0	111.9	V159 S258 V262	V159-P260 HydrophobicContact CB-CG 4.36Å; V159-P260 HydrophobicContact CG1-CG 4.22Å; S258-P260 WeakPolarHBondContact O-CD 3.45Å; P260-V262 PolarHBondContact O-N 3.48Å
261	G	92.8	Very high	97.7	Very high	21 Å²	21	10.4 Å²	10.4	22%	0.216	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	4.2	-177.9	0	0	0	0	0	114.8	N315 P358	G261-N315 WeakPolarHBondContact O-CB 3.44Å; G261-N315 PolarHBondContact O-ND2 3.31Å; G261-P358 VanDerWaalsContact CA-O 3.3Å; G261-P358 WeakPolarHBondContact CA-O 3.33Å; G261-P358 PolarHBondContact N-O 2.93Å
262	V	95.1	Very high	97.8	Very high	1 Å²	1	10 Å²	10	1%	0.006	6%	0.057	C	C	.	.			trans	-104.8	136.7	-179	176	0	0	0	0	110.2	L259 P260 H264 V265 Q359 T360	L259-V262 HydrophobicContact CB-CB 3.85Å; L259-V262 HydrophobicContact CB-CG1 4.38Å; L259-V262 HydrophobicContact CB-CG2 3.94Å; L259-V262 WeakPolarHBondContact O-CB 3.45Å; L259-V262 PolarHBondContact O-N 3.26Å; P260-V262 PolarHBondContact O-N 3.48Å; V262-H264 WeakPolarHBondContact CG1-O 3.44Å; V262-V265 HydrophobicContact CG1-CG1 4.07Å; V262-Q359 CarbonylContact O-C 3.5Å; V262-T360 PolarHBondContact O-N 2.75Å; V262-T360 PolarHBondContact O-OG1 2.7Å; V262-T360 VanDerWaalsContact O-OG1 3.12Å
263	E	95.2	Very high	97.8	Very high	104 Å²	104	10.4 Å²	10.4	49%	0.486	6%	0.059	S	C	.	.			trans	-125.1	-6.7	170.3	-66.4	-175.9	146.8	0	0	112.7	K276 P358	E263-K276 WeakPolarHBondContact O-CE 3.48Å; E263-K276 PolarHBondContact O-NZ 3.48Å; E263-P358 HydrophobicContact CG-CB 3.4Å; E263-P358 HydrophobicContact CG-CG 3.83Å; E263-P358 WeakPolarHBondContact OE1-CB 3.46Å
264	H	97.8	Very high	97.7	Very high	23 Å²	23	12.2 Å²	12.2	11%	0.106	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.6	-171.2	-61.2	82.1	0	0	0	109.3	V262 Y266 K276 H314 F748	V262-H264 WeakPolarHBondContact CG1-O 3.44Å; H264-Y266 HydrophobicContact CB-CE2 3.88Å; H264-Y266 WeakPolarHBondContact CB-OH 3.25Å; H264-K276 PolarHBondContact CD2-NZ 3.37Å; H264-K276 PolarHBondContact NE2-NZ 2.89Å; H264-H314 PolarHBondContact O-N 2.59Å; H264-F748 AromaticContact ND1-CD2 3.84Å
265	V	98.8	Very high	97.7	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.024	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.4	173.6	-68.1	0	0	0	0	109.8	L259 V262 L277 M311 L312 I334 T360	L259-V265 HydrophobicContact CD1-CG1 3.93Å; V262-V265 HydrophobicContact CG1-CG1 4.07Å; V265-L277 HydrophobicContact CG2-CB 4.2Å; V265-L277 HydrophobicContact CG2-CD1 4.25Å; V265-L277 PolarHBondContact O-N 2.98Å; V265-M311 HydrophobicContact CB-CG 4.09Å; V265-M311 HydrophobicContact CB-SD 3.87Å; V265-M311 HydrophobicContact CG1-CG 4.49Å; V265-M311 HydrophobicContact CG1-SD 4.06Å; V265-M311 HydrophobicContact CG2-SD 4.27Å; V265-L312 CarbonylContact C-O 3.5Å; V265-L312 WeakPolarHBondContact CA-O 3.49Å; V265-I334 HydrophobicContact CG2-CD1 4.19Å; V265-I334 HydrophobicContact CG2-CG2 4.14Å; V265-T360 HydrophobicContact CG1-CG2 4.02Å; V265-T360 HydrophobicContact CG2-CG2 4.18Å
266	Y	98.9	Very high	97.7	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	168.5	-171.4	-47.1	-90.5	0	0	0	110.5	H264 L275 K276 M311 L312 H314 L646 W738 F748	H264-Y266 HydrophobicContact CB-CE2 3.88Å; H264-Y266 WeakPolarHBondContact CB-OH 3.25Å; Y266-L275 HydrophobicContact CD1-CD1 4.36Å; Y266-L275 HydrophobicContact CD1-CG 3.9Å; Y266-L275 WeakPolarHBondContact CD1-O 3.21Å; Y266-L275 HydrophobicContact CE1-CG 4.31Å; Y266-K276 HydrophobicContact CE1-CB 4.25Å; Y266-M311 CarbonylContact O-C 3.54Å; Y266-M311 VanDerWaalsContact O-CA 3.3Å; Y266-M311 WeakPolarHBondContact O-CA 3.46Å; Y266-M311 WeakPolarHBondContact O-CG 3.43Å; Y266-L312 PolarHBondContact N-O 3.25Å; Y266-L312 PolarHBondContact O-N 3.19Å; Y266-H314 HydrophobicContact CE2-CB 3.77Å; Y266-L646 HydrophobicContact CD1-CD1 4.46Å; Y266-L646 HydrophobicContact CG-CD1 4.16Å; Y266-W738 AromaticContact CD2-CZ2 3.88Å; Y266-W738 HydrophobicContact CD2-CZ2 3.88Å; Y266-W738 AromaticContact CE1-NE1 3.64Å; Y266-W738 AromaticContact CE2-CE2 3.95Å; Y266-W738 AromaticContact CE2-CZ2 3.97Å; Y266-W738 HydrophobicContact CE2-CZ2 3.97Å; Y266-W738 HydrophobicContact CG-CZ2 4.25Å; Y266-W738 AromaticContact CZ-CE2 3.97Å; Y266-W738 AromaticContact CZ-NE1 3.6Å; Y266-F748 WeakPolarHBondContact CE1-O 3.47Å; Y266-F748 PolarHBondContact OH-O 3.42Å
267	G	98.8	Very high	97.7	Very high	3 Å²	3	16.2 Å²	16.2	3%	0.031	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.2	-141.4	174.8	0	0	0	0	0	111.3	P269	G267-P269 VanDerWaalsContact C-N 3.28Å
268	I	98.9	Very high	97.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.			trans	43.4	42.5	-172.4	60.1	171.1	0	0	0	114.9	H271 L277 Y286 L288 V308 V310 M311 V332 W364	I268-H271 PolarHBondContact O-CE1 2.96Å; I268-H271 PolarHBondContact O-ND1 2.86Å; I268-L277 HydrophobicContact CD1-CD1 3.74Å; I268-L277 HydrophobicContact CD1-CD2 4.09Å; I268-L277 HydrophobicContact CG1-CD1 3.63Å; I268-L277 HydrophobicContact CG1-CD2 3.85Å; I268-L277 HydrophobicContact CG1-CG 4.39Å; I268-Y286 HydrophobicContact CD1-CD1 4.49Å; I268-Y286 HydrophobicContact CD1-CD2 4.02Å; I268-Y286 HydrophobicContact CD1-CG 3.83Å; I268-L288 HydrophobicContact CB-CD1 4.43Å; I268-L288 HydrophobicContact CB-CD2 4.39Å; I268-L288 HydrophobicContact CG2-CD1 4.44Å; I268-L288 WeakPolarHBondContact O-CD2 3.2Å; I268-V308 WeakPolarHBondContact CA-O 3.19Å; I268-V310 PolarHBondContact N-O 3.12Å; I268-M311 HydrophobicContact CD1-CE 3.96Å; I268-M311 HydrophobicContact CG2-CB 4.27Å; I268-M311 HydrophobicContact CG2-CE 4.25Å; I268-V332 HydrophobicContact CD1-CB 4.16Å; I268-V332 HydrophobicContact CD1-CG1 4.2Å; I268-V332 HydrophobicContact CD1-CG2 4.44Å; I268-W364 HydrophobicContact CG2-CH2 3.37Å; I268-W364 HydrophobicContact CG2-CZ2 4.14Å; I268-W364 HydrophobicContact CG2-CZ3 4Å
269	P	98.8	Very high	97.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.124	C	C	.	.			trans	-64.3	156.3	175.6	32.2	-36.6	0	0	0	110.7	G267 A307 V308 L644 V647	G267-P269 VanDerWaalsContact C-N 3.28Å; P269-A307 CarbonylContact O-C 3.4Å; P269-A307 VanDerWaalsContact O-CA 3.31Å; P269-A307 WeakPolarHBondContact O-CA 3.49Å; P269-V308 HydrophobicContact CG-CB 3.96Å; P269-V308 HydrophobicContact CG-CG2 4.18Å; P269-V308 PolarHBondContact O-N 2.75Å; P269-L644 HydrophobicContact CB-CD2 3.74Å; P269-L644 HydrophobicContact CB-CG 3.94Å; P269-L644 HydrophobicContact CG-CD2 3.64Å; P269-L644 HydrophobicContact CG-CG 4.15Å; P269-V647 HydrophobicContact CG-CG2 3.53Å
270	E	98.8	Very high	97.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	13%	0.126	C	C	.	.			cis	-113.6	126.4	14	-164.5	-177.4	-161.1	0	0	114.6	L304 Y305 G306 F612 T624 M640	E270-L304 HydrophobicContact CB-CB 4.13Å; E270-L304 HydrophobicContact CG-CB 4.1Å; E270-L304 HydrophobicContact CG-CD1 4.1Å; E270-L304 PolarHBondContact O-N 2.81Å; E270-Y305 WeakPolarHBondContact OE2-CD2 3.22Å; E270-Y305 PolarHBondContact OE2-N 2.79Å; E270-G306 WeakPolarHBondContact CB-O 3.39Å; E270-G306 PolarHBondContact N-O 2.86Å; E270-F612 HydrophobicContact CB-CE2 4.43Å; E270-F612 HydrophobicContact CB-CZ 3.93Å; E270-F612 HydrophobicContact CG-CZ 4.32Å; E270-T624 WeakPolarHBondContact OE1-CA 3.28Å; E270-T624 WeakPolarHBondContact OE1-CB 3.31Å; E270-M640 HydrophobicContact CG-CE 3.78Å; E270-M640 VanDerWaalsContact OE1-CE 3.27Å; E270-M640 WeakPolarHBondContact OE1-CE 3.3Å
271	H	98.9	Very high	97.3	Very high	11 Å²	11	27.2 Å²	27.2	5%	0.051	14%	0.144	C	C	.	.			trans	-139.3	139.2	174.7	-55	94.4	0	0	0	109.7	I268 D273 Y286 R287 P301 M302	I268-H271 PolarHBondContact O-CE1 2.96Å; I268-H271 PolarHBondContact O-ND1 2.86Å; H271-D273 HydrophobicContact CB-CB 4.22Å; H271-D273 PolarHBondContact O-N 2.68Å; H271-Y286 HydrophobicContact CB-CD1 4.36Å; H271-Y286 HydrophobicContact CB-CE1 4.32Å; H271-Y286 AromaticContact CD2-CD1 3.72Å; H271-Y286 AromaticContact CE1-CD1 3.79Å; H271-Y286 AromaticContact CG-CD1 3.62Å; H271-Y286 AromaticContact ND1-CD1 3.64Å; H271-Y286 AromaticContact NE2-CD1 3.84Å; H271-R287 PolarHBondContact NE2-O 3.46Å; H271-P301 PolarHBondContact CD2-O 2.9Å; H271-M302 PolarHBondContact CD2-O 3.5Å; H271-M302 VanDerWaalsContact CD2-O 3.27Å
272	A	98.5	Very high	96.9	Very high	2 Å²	2	32 Å²	32	2%	0.017	17%	0.174	C	C	.	.	S	Bend	trans	-79.5	66.1	169.8	0	0	0	0	0	109.9	Y296 L298 Y299 L304 I636 M640	A272-Y296 HydrophobicContact CB-CD2 3.68Å; A272-Y296 HydrophobicContact CB-CE2 3.52Å; A272-L298 HydrophobicContact CB-CD2 3.83Å; A272-L298 CarbonylContact O-C 3.55Å; A272-Y299 WeakPolarHBondContact O-CA 3.46Å; A272-Y299 PolarHBondContact O-N 2.85Å; A272-L304 HydrophobicContact CB-CD1 4.01Å; A272-I636 HydrophobicContact CB-CG1 4.42Å; A272-M640 HydrophobicContact CB-CE 4.42Å; A272-M640 HydrophobicContact CB-SD 4.07Å
273	D	98.4	Very high	96.8	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	19%	0.192	C	C	.	.	S	Bend	trans	-136.4	178.7	-175.5	-156.7	8.6	0	0	0	112	H271 K278 Y286 Y299	H271-D273 HydrophobicContact CB-CB 4.22Å; H271-D273 PolarHBondContact O-N 2.68Å; D273-K278 VanDerWaalsContact OD1-CE 3.24Å; D273-K278 WeakPolarHBondContact OD1-CE 3.46Å; D273-K278 IonicContact OD1-NZ 3.66Å; D273-K278 PolarHBondContact OD1-NZ 3.44Å; D273-K278 IonicContact OD2-NZ 3.64Å; D273-Y286 HydrophobicContact CB-CE1 4.4Å; D273-Y286 PolarHBondContact OD2-OH 2.79Å; D273-Y299 WeakPolarHBondContact OD1-CA 3.4Å
274	T	98.1	Very high	96.8	Very high	39 Å²	39	31.1 Å²	31.1	24%	0.239	18%	0.182	C	C	.	.			trans	-62.5	150.6	176.8	51.9	0	0	0	0	111.8	K276 Y299	T274-K276 PolarHBondContact O-N 2.85Å; T274-K276 PolarHBondContact OG1-O 3.43Å; T274-Y299 HydrophobicContact CG2-CD1 4.28Å; T274-Y299 HydrophobicContact CG2-CE1 4.33Å
275	L	98.7	Very high	96.8	Very high	5 Å²	5	30 Å²	30	3%	0.026	18%	0.176	C	C	.	.	S	Bend	trans	-61.1	-46.2	-179.8	176.4	61.4	0	0	0	111.8	Y266 L277 P639 L642 L646 P736 D751	Y266-L275 HydrophobicContact CD1-CD1 4.36Å; Y266-L275 HydrophobicContact CD1-CG 3.9Å; Y266-L275 WeakPolarHBondContact CD1-O 3.21Å; Y266-L275 HydrophobicContact CE1-CG 4.31Å; L275-L277 PolarHBondContact O-N 3.29Å; L275-P639 HydrophobicContact CB-CB 3.97Å; L275-L642 HydrophobicContact CD1-CB 3.84Å; L275-L642 HydrophobicContact CD2-CB 4.14Å; L275-L642 HydrophobicContact CD2-CD1 3.94Å; L275-L646 HydrophobicContact CD1-CD1 3.88Å; L275-P736 HydrophobicContact CD2-CB 3.72Å; L275-P736 HydrophobicContact CD2-CG 3.56Å; L275-D751 HydrophobicContact CB-CB 3.53Å; L275-D751 HydrophobicContact CD2-CB 4.19Å; L275-D751 PolarHBondContact N-OD2 3.17Å
276	K	98.3	Very high	96.8	Very high	67 Å²	67	30 Å²	30	29%	0.291	18%	0.176	S	C	.	.	S	Bend	trans	-70.4	118.9	167.2	178.7	-170.8	-179.6	162.9	0	107.6	E263 H264 Y266 T274 A749	E263-K276 WeakPolarHBondContact O-CE 3.48Å; E263-K276 PolarHBondContact O-NZ 3.48Å; H264-K276 PolarHBondContact CD2-NZ 3.37Å; H264-K276 PolarHBondContact NE2-NZ 2.89Å; Y266-K276 HydrophobicContact CE1-CB 4.25Å; T274-K276 PolarHBondContact O-N 2.85Å; T274-K276 PolarHBondContact OG1-O 3.43Å; K276-A749 HydrophobicContact CD-CB 4.49Å
277	L	98.6	Very high	96.8	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.073	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-67	143	179.2	-58.9	163.8	0	0	0	110.7	V265 I268 L275 Y286 M311 I334	V265-L277 HydrophobicContact CG2-CB 4.2Å; V265-L277 HydrophobicContact CG2-CD1 4.25Å; V265-L277 PolarHBondContact O-N 2.98Å; I268-L277 HydrophobicContact CD1-CD1 3.74Å; I268-L277 HydrophobicContact CD1-CD2 4.09Å; I268-L277 HydrophobicContact CG1-CD1 3.63Å; I268-L277 HydrophobicContact CG1-CD2 3.85Å; I268-L277 HydrophobicContact CG1-CG 4.39Å; L275-L277 PolarHBondContact O-N 3.29Å; L277-Y286 HydrophobicContact CB-CE2 4.03Å; L277-Y286 HydrophobicContact CD2-CE1 4.03Å; L277-Y286 HydrophobicContact CD2-CE2 4.04Å; L277-M311 HydrophobicContact CD1-CE 3.92Å; L277-I334 HydrophobicContact CB-CD1 3.71Å; L277-I334 HydrophobicContact CD1-CD1 3.91Å; L277-I334 HydrophobicContact CG-CD1 4.4Å
278	K	97.3	Very high	96.8	Very high	82 Å²	82	30.2 Å²	30.2	36%	0.357	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-84.4	159.2	179.9	-66.2	170.3	-179.1	161.1	0	111	D273 Y286	D273-K278 VanDerWaalsContact OD1-CE 3.24Å; D273-K278 WeakPolarHBondContact OD1-CE 3.46Å; D273-K278 IonicContact OD1-NZ 3.66Å; D273-K278 PolarHBondContact OD1-NZ 3.44Å; D273-K278 IonicContact OD2-NZ 3.64Å; K278-Y286 PolarHBondContact N-OH 3.18Å
279	T	97.1	Very high	96.8	Very high	69 Å²	69	30.3 Å²	30.3	42%	0.423	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-69.4	142.6	166	54.7	0	0	0	0	110.3	I334	T279-I334 CarbonylContact C-O 3.43Å; T279-I334 VanDerWaalsContact CA-O 3.26Å; T279-I334 WeakPolarHBondContact CA-O 3.4Å
280	T	97.2	Very high	96.9	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.037	18%	0.176	C	C	.	.			trans	-103.7	5.6	-177.6	62	0	0	0	0	112.8	R44 S282 G283 Y286 D333 I334	R44-T280 PolarHBondContact NH2-O 3.3Å; R44-T280 VanDerWaalsContact NH2-O 3.08Å; T280-S282 PolarHBondContact O-N 3.24Å; T280-S282 VanDerWaalsContact O-N 3.09Å; T280-G283 PolarHBondContact O-N 3.1Å; T280-G283 VanDerWaalsContact O-N 3.13Å; T280-G283 VanDerWaalsContact O-O 3.11Å; T280-Y286 HydrophobicContact CG2-CD2 3.91Å; T280-Y286 HydrophobicContact CG2-CE2 4.17Å; T280-D333 WeakPolarHBondContact CB-OD1 3.42Å; T280-D333 VanDerWaalsContact OG1-CA 3.29Å; T280-D333 WeakPolarHBondContact OG1-CA 3.21Å; T280-D333 PolarHBondContact OG1-OD1 2.72Å; T280-I334 HydrophobicContact CG2-CB 4.47Å; T280-I334 PolarHBondContact N-O 2.91Å; T280-I334 PolarHBondContact OG1-N 2.67Å; T280-I334 PolarHBondContact OG1-O 3.16Å
281	D	88.6	Confident	96.9	Very high	109 Å²	109	30.3 Å²	30.3	58%	0.583	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.2	-176.9	-68.5	-48.5	0	0	0	114.1	S335	D281-S335 WeakPolarHBondContact OD1-CB 3.14Å
282	S	85.2	Confident	96.8	Very high	122 Å²	122	30.3 Å²	30.3	85%	0.853	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	6.1	-176.6	58.6	0	0	0	0	114.6	T280	T280-S282 PolarHBondContact O-N 3.24Å; T280-S282 VanDerWaalsContact O-N 3.09Å
283	G	91.8	Very high	96.7	Very high	37 Å²	37	30.3 Å²	30.3	38%	0.381	18%	0.177	S	C	.	.	S	Bend	trans	-152.3	-161.1	-172.7	0	0	0	0	0	113.6	R44 T280	R44-G283 VanDerWaalsContact CZ-O 3.24Å; R44-G283 PolarHBondContact NH1-O 2.82Å; R44-G283 PolarHBondContact NH2-O 2.84Å; T280-G283 PolarHBondContact O-N 3.1Å; T280-G283 VanDerWaalsContact O-N 3.13Å; T280-G283 VanDerWaalsContact O-O 3.11Å
284	D	95.7	Very high	96.1	Very high	49 Å²	49	35.2 Å²	35.2	26%	0.262	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-74.3	150.1	171.7	-91.1	-26.1	0	0	0	111.1	T33 C34 P301 W331	T33-D284 VanDerWaalsContact CA-OD2 3.31Å; T33-D284 WeakPolarHBondContact CA-OD2 3.23Å; T33-D284 WeakPolarHBondContact CB-OD2 3.36Å; T33-D284 WeakPolarHBondContact CG2-OD2 3.35Å; C34-D284 VanDerWaalsContact CB-OD1 3.31Å; C34-D284 WeakPolarHBondContact CB-OD1 3.23Å; C34-D284 PolarHBondContact N-OD1 2.99Å; C34-D284 VanDerWaalsContact N-OD1 3.1Å; D284-P301 HydrophobicContact CB-CG 4.26Å; D284-W331 HydrophobicContact CB-CZ3 4.47Å
285	P	98.3	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-64.6	160.2	168.6	-7.7	23	0	0	0	110.9	C34 R287 W331 V332	C34-P285 HydrophobicContact CB-CG 4.28Å; P285-R287 PolarHBondContact O-N 2.93Å; P285-W331 HydrophobicContact CB-CB 4.16Å; P285-W331 HydrophobicContact CB-CE3 4.02Å; P285-W331 HydrophobicContact CG-CB 4.34Å; P285-W331 HydrophobicContact CG-CE3 3.92Å; P285-V332 VanDerWaalsContact CB-O 3.31Å; P285-V332 WeakPolarHBondContact CB-O 3.46Å
286	Y	98.9	Very high	95.4	Very high	3 Å²	3	36 Å²	36	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	130.3	166.6	-75.2	-82.3	0	0	0	109.7	I268 H271 D273 L277 K278 T280 P301 W331 V332 I334	I268-Y286 HydrophobicContact CD1-CD1 4.49Å; I268-Y286 HydrophobicContact CD1-CD2 4.02Å; I268-Y286 HydrophobicContact CD1-CG 3.83Å; H271-Y286 HydrophobicContact CB-CD1 4.36Å; H271-Y286 HydrophobicContact CB-CE1 4.32Å; H271-Y286 AromaticContact CD2-CD1 3.72Å; H271-Y286 AromaticContact CE1-CD1 3.79Å; H271-Y286 AromaticContact CG-CD1 3.62Å; H271-Y286 AromaticContact ND1-CD1 3.64Å; H271-Y286 AromaticContact NE2-CD1 3.84Å; D273-Y286 HydrophobicContact CB-CE1 4.4Å; D273-Y286 PolarHBondContact OD2-OH 2.79Å; L277-Y286 HydrophobicContact CB-CE2 4.03Å; L277-Y286 HydrophobicContact CD2-CE1 4.03Å; L277-Y286 HydrophobicContact CD2-CE2 4.04Å; K278-Y286 PolarHBondContact N-OH 3.18Å; T280-Y286 HydrophobicContact CG2-CD2 3.91Å; T280-Y286 HydrophobicContact CG2-CE2 4.17Å; Y286-P301 HydrophobicContact CD1-CB 3.79Å; Y286-P301 HydrophobicContact CE1-CB 4.1Å; Y286-P301 HydrophobicContact CG-CB 4.11Å; Y286-W331 CarbonylContact O-C 3.18Å; Y286-W331 VanDerWaalsContact O-CA 3.32Å; Y286-W331 WeakPolarHBondContact O-CA 3.38Å; Y286-V332 PolarHBondContact N-O 2.74Å; Y286-V332 PolarHBondContact O-N 2.87Å; Y286-I334 HydrophobicContact CD2-CD1 3.94Å; Y286-I334 HydrophobicContact CE2-CD1 3.97Å
287	R	98.9	Very high	95.1	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135	-179.2	-166.5	-174.6	-168	-161.5	-2.5	110.7	K32 H271 P285 P301 A303 E329 W331 E562	K32-R287 PolarHBondContact O-NH1 3.32Å; H271-R287 PolarHBondContact NE2-O 3.46Å; P285-R287 PolarHBondContact O-N 2.93Å; R287-P301 PolarHBondContact N-O 3.16Å; R287-P301 VanDerWaalsContact N-O 3.13Å; R287-A303 HydrophobicContact CB-CB 3.95Å; R287-A303 HydrophobicContact CG-CB 4.03Å; R287-A303 WeakPolarHBondContact O-CA 3.43Å; R287-A303 VanDerWaalsContact O-CB 3.22Å; R287-A303 WeakPolarHBondContact O-CB 3.46Å; R287-E329 IonicContact CZ-OE1 3.91Å; R287-E329 VanDerWaalsContact CZ-OE1 3.26Å; R287-E329 IonicContact NE-OE1 3.9Å; R287-E329 PolarHBondContact NE-OE1 2.96Å; R287-E329 VanDerWaalsContact NH2-CD 3.33Å; R287-E329 IonicContact NH2-OE1 3.32Å; R287-E329 PolarHBondContact NH2-OE1 2.88Å; R287-E329 IonicContact NH2-OE2 3.68Å; R287-W331 HydrophobicContact CB-CD2 4.24Å; R287-W331 HydrophobicContact CB-CE3 3.8Å; R287-W331 HydrophobicContact CB-CH2 4.11Å; R287-W331 HydrophobicContact CB-CZ2 4.48Å; R287-W331 HydrophobicContact CB-CZ3 3.73Å; R287-W331 VanDerWaalsContact CD-CH2 3.41Å; R287-W331 VanDerWaalsContact CD-CZ2 3.43Å; R287-W331 HydrophobicContact CG-CD2 3.95Å; R287-W331 HydrophobicContact CG-CE3 3.98Å; R287-W331 HydrophobicContact CG-CH2 3.82Å; R287-W331 HydrophobicContact CG-CZ2 3.75Å; R287-W331 HydrophobicContact CG-CZ3 3.92Å; R287-E562 IonicContact CZ-OE2 3.64Å; R287-E562 IonicContact NH1-OE2 3.52Å; R287-E562 PolarHBondContact NH1-OE2 3.35Å; R287-E562 IonicContact NH2-OE1 3.57Å; R287-E562 PolarHBondContact NH2-OE1 2.87Å; R287-E562 IonicContact NH2-OE2 2.7Å; R287-E562 PolarHBondContact NH2-OE2 3.01Å; R287-E562 VanDerWaalsContact NH2-OE2 3.11Å
288	L	98.9	Very high	95	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	92.9	175.7	-65.2	178.4	0	0	0	108.5	I268 A307 P309 T330 V332 W364 N581	I268-L288 HydrophobicContact CB-CD1 4.43Å; I268-L288 HydrophobicContact CB-CD2 4.39Å; I268-L288 HydrophobicContact CG2-CD1 4.44Å; I268-L288 WeakPolarHBondContact O-CD2 3.2Å; L288-A307 HydrophobicContact CB-CB 3.99Å; L288-A307 HydrophobicContact CD2-CB 4.18Å; L288-P309 HydrophobicContact CD1-CB 3.94Å; L288-T330 HydrophobicContact CD1-CG2 4.43Å; L288-T330 PolarHBondContact N-O 2.66Å; L288-T330 PolarHBondContact O-N 3.35Å; L288-V332 HydrophobicContact CD1-CG2 4.32Å; L288-W364 HydrophobicContact CD1-CZ3 4.12Å; L288-N581 PolarHBondContact O-ND2 3.48Å
289	Y	98.9	Very high	95	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.012	20%	0.204	C	C	.	.			trans	-155.8	112.7	178.5	-163.5	-119.4	0	0	0	107.3	L291 A303 E329 T564 H580 N581	Y289-L291 HydrophobicContact CD1-CD1 3.96Å; Y289-L291 HydrophobicContact CD1-CD2 3.6Å; Y289-L291 HydrophobicContact CD1-CG 3.7Å; Y289-L291 HydrophobicContact CE1-CD2 3.8Å; Y289-L291 HydrophobicContact CE1-CG 4.41Å; Y289-L291 VanDerWaalsContact O-CG 3.32Å; Y289-L291 WeakPolarHBondContact O-CG 3.28Å; Y289-L291 PolarHBondContact O-N 3.35Å; Y289-L291 VanDerWaalsContact O-N 3.12Å; Y289-A303 WeakPolarHBondContact O-CB 3.32Å; Y289-E329 HydrophobicContact CD2-CB 3.48Å; Y289-E329 VanDerWaalsContact CD2-CB 3.48Å; Y289-E329 HydrophobicContact CD2-CG 3.81Å; Y289-E329 HydrophobicContact CE2-CB 3.89Å; Y289-E329 HydrophobicContact CE2-CG 4.49Å; Y289-E329 HydrophobicContact CG-CB 4.2Å; Y289-E329 HydrophobicContact CG-CG 3.99Å; Y289-T564 HydrophobicContact CE1-CG2 3.78Å; Y289-H580 AromaticContact CD1-NE2 3.82Å; Y289-H580 HydrophobicContact CD2-CB 4.5Å; Y289-H580 AromaticContact CD2-CD2 3.16Å; Y289-H580 WeakPolarHBondContact CD2-CD2 3.34Å; Y289-H580 AromaticContact CD2-CG 3.85Å; Y289-H580 AromaticContact CD2-NE2 3.48Å; Y289-H580 WeakPolarHBondContact CD2-NE2 3.43Å; Y289-H580 AromaticContact CE1-CE1 3.81Å; Y289-H580 AromaticContact CE1-NE2 3.74Å; Y289-H580 HydrophobicContact CE2-CB 3.8Å; Y289-H580 AromaticContact CE2-CD2 3.07Å; Y289-H580 WeakPolarHBondContact CE2-CD2 3.45Å; Y289-H580 AromaticContact CE2-CE1 3.8Å; Y289-H580 AromaticContact CE2-CG 3.24Å; Y289-H580 AromaticContact CE2-ND1 3.69Å; Y289-H580 AromaticContact CE2-NE2 3.43Å; Y289-H580 WeakPolarHBondContact CE2-NE2 3.38Å; Y289-H580 AromaticContact CG-CD2 3.84Å; Y289-H580 AromaticContact CG-NE2 3.68Å; Y289-H580 AromaticContact CZ-CD2 3.64Å; Y289-H580 AromaticContact CZ-CE1 3.5Å; Y289-H580 AromaticContact CZ-CG 3.66Å; Y289-H580 AromaticContact CZ-ND1 3.57Å; Y289-H580 AromaticContact CZ-NE2 3.53Å; Y289-H580 PolarHBondContact OH-ND1 3.47Å; Y289-N581 VanDerWaalsContact CA-OD1 3.31Å; Y289-N581 WeakPolarHBondContact CA-OD1 3.27Å
290	N	98.9	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.			trans	-61.9	113.8	-174.4	-67.8	3.2	0	0	0	110.4	Y305 G306 A307 E554 H580 N581 A611 F612	N290-Y305 WeakPolarHBondContact CB-O 3.22Å; N290-Y305 PolarHBondContact OD1-O 3.12Å; N290-G306 WeakPolarHBondContact OD1-CA 3.36Å; N290-A307 WeakPolarHBondContact OD1-CB 3.48Å; N290-A307 PolarHBondContact OD1-N 3.4Å; N290-E554 HydrophobicContact CB-CB 4.16Å; N290-E554 HydrophobicContact CB-CG 4.2Å; N290-E554 WeakPolarHBondContact O-CB 3.27Å; N290-H580 PolarHBondContact N-NE2 3.38Å; N290-H580 PolarHBondContact O-CE1 2.67Å; N290-H580 VanDerWaalsContact O-CE1 3.23Å; N290-H580 PolarHBondContact O-NE2 2.91Å; N290-N581 PolarHBondContact N-OD1 3.19Å; N290-N581 PolarHBondContact ND2-O 2.89Å; N290-N581 PolarHBondContact OD1-OD1 2.97Å; N290-A611 HydrophobicContact CB-CB 4.42Å; N290-F612 PolarHBondContact ND2-O 2.93Å
291	L	98.8	Very high	95	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.198	C	C	.	.			trans	-135.4	141.5	-171.8	-73	176.4	0	0	0	112.1	F31 Y289 V293 A303 L304 Y305 E562 T564	F31-L291 HydrophobicContact CD1-CD1 3.89Å; F31-L291 HydrophobicContact CE1-CD1 4.39Å; Y289-L291 HydrophobicContact CD1-CD1 3.96Å; Y289-L291 HydrophobicContact CD1-CD2 3.6Å; Y289-L291 HydrophobicContact CD1-CG 3.7Å; Y289-L291 HydrophobicContact CE1-CD2 3.8Å; Y289-L291 HydrophobicContact CE1-CG 4.41Å; Y289-L291 VanDerWaalsContact O-CG 3.32Å; Y289-L291 WeakPolarHBondContact O-CG 3.28Å; Y289-L291 PolarHBondContact O-N 3.35Å; Y289-L291 VanDerWaalsContact O-N 3.12Å; L291-V293 HydrophobicContact CB-CG2 3.83Å; L291-V293 PolarHBondContact O-N 3.03Å; L291-A303 HydrophobicContact CD1-CB 4.36Å; L291-L304 PolarHBondContact N-O 2.78Å; L291-L304 CarbonylContact O-C 3.48Å; L291-Y305 VanDerWaalsContact O-CD1 3.23Å; L291-Y305 WeakPolarHBondContact O-CD1 3.39Å; L291-E562 HydrophobicContact CD2-CB 3.91Å; L291-E562 WeakPolarHBondContact CD2-O 3.3Å; L291-T564 HydrophobicContact CD2-CG2 3.87Å
292	D	98.1	Very high	95.4	Very high	12 Å²	12	33 Å²	33	6%	0.064	18%	0.179	C	C	.	.			trans	-81.5	90.6	169.7	-170.6	-13.3	0	0	0	109.6	F294 M552 S556 V563 R610	D292-F294 PolarHBondContact O-N 3.13Å; D292-M552 WeakPolarHBondContact OD2-CE 3.44Å; D292-S556 VanDerWaalsContact OD2-CB 3.29Å; D292-S556 WeakPolarHBondContact OD2-CB 3.48Å; D292-S556 PolarHBondContact OD2-OG 3.06Å; D292-V563 HydrophobicContact CB-CG1 4.16Å; D292-R610 IonicContact OD1-NH2 3.83Å; D292-R610 IonicContact OD2-CZ 3.45Å; D292-R610 IonicContact OD2-NH1 3.56Å; D292-R610 IonicContact OD2-NH2 2.96Å; D292-R610 PolarHBondContact OD2-NH2 3.37Å
293	V	95.5	Very high	96.1	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	14%	0.14	C	C	.	.			trans	-95.9	89.8	-176.7	-172.2	0	0	0	0	110.5	V26 F31 L291 Q295 Y296 M302 A303 L304 Y305	V26-V293 HydrophobicContact CG2-CG1 3.56Å; F31-V293 HydrophobicContact CE1-CG2 4.06Å; F31-V293 HydrophobicContact CE2-CG1 3.97Å; F31-V293 HydrophobicContact CZ-CB 4.26Å; F31-V293 HydrophobicContact CZ-CG1 4.12Å; F31-V293 HydrophobicContact CZ-CG2 4.04Å; L291-V293 HydrophobicContact CB-CG2 3.83Å; L291-V293 PolarHBondContact O-N 3.03Å; V293-Q295 PolarHBondContact O-N 3.47Å; V293-Y296 PolarHBondContact O-N 2.87Å; V293-M302 HydrophobicContact CG1-CE 4.4Å; V293-A303 VanDerWaalsContact CG2-O 3.3Å; V293-A303 WeakPolarHBondContact CG2-O 3.32Å; V293-L304 HydrophobicContact CB-CD2 4.07Å; V293-L304 HydrophobicContact CG1-CD2 4.38Å; V293-L304 HydrophobicContact CG2-CD2 4.23Å; V293-Y305 PolarHBondContact O-OH 2.83Å
294	F	86.8	Confident	96.4	Very high	110 Å²	110	25.7 Å²	25.7	48%	0.482	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	125.9	176	-176.5	-96.9	0	0	0	112	D292 Y296 F660	D292-F294 PolarHBondContact O-N 3.13Å; F294-Y296 VanDerWaalsContact C-N 3.35Å; F294-Y296 PolarHBondContact O-N 3.44Å; F294-F660 HydrophobicContact CD2-CE1 4.14Å; F294-F660 AromaticContact CD2-CZ 3.59Å; F294-F660 HydrophobicContact CD2-CZ 3.59Å; F294-F660 AromaticContact CE2-CE1 3.39Å; F294-F660 HydrophobicContact CE2-CE1 3.39Å; F294-F660 HydrophobicContact CE2-CE2 4.46Å; F294-F660 AromaticContact CE2-CZ 3.33Å; F294-F660 HydrophobicContact CE2-CZ 3.33Å; F294-F660 HydrophobicContact CG-CZ 4.39Å; F294-F660 AromaticContact CZ-CE1 3.76Å; F294-F660 HydrophobicContact CZ-CE1 3.76Å; F294-F660 AromaticContact CZ-CZ 3.95Å; F294-F660 HydrophobicContact CZ-CZ 3.95Å
295	Q	89.6	Confident	96.5	Very high	55 Å²	55	23.4 Å²	23.4	26%	0.257	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	48.8	179.2	-68.5	-178.7	-10.4	0	0	113.1	W24 V26 V293 F660	W24-Q295 PolarHBondContact O-OE1 2.77Å; V26-Q295 PolarHBondContact N-O 2.85Å; V293-Q295 PolarHBondContact O-N 3.47Å; Q295-F660 HydrophobicContact CB-CD2 4.45Å; Q295-F660 HydrophobicContact CB-CE2 4.26Å; Q295-F660 HydrophobicContact CG-CD1 4.13Å; Q295-F660 HydrophobicContact CG-CD2 3.5Å; Q295-F660 HydrophobicContact CG-CE1 4.09Å; Q295-F660 HydrophobicContact CG-CE2 3.41Å; Q295-F660 VanDerWaalsContact CG-CE2 3.41Å; Q295-F660 HydrophobicContact CG-CG 3.85Å; Q295-F660 HydrophobicContact CG-CZ 3.74Å
296	Y	91.9	Very high	96.6	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.02	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-51.2	141.2	-177.9	71.1	-99.6	0	0	0	112.8	A272 V293 F294 L298 L304 Y305 D626 N627 H633	A272-Y296 HydrophobicContact CB-CD2 3.68Å; A272-Y296 HydrophobicContact CB-CE2 3.52Å; V293-Y296 PolarHBondContact O-N 2.87Å; F294-Y296 VanDerWaalsContact C-N 3.35Å; F294-Y296 PolarHBondContact O-N 3.44Å; Y296-L298 HydrophobicContact CD2-CD2 4.29Å; Y296-L298 HydrophobicContact CE2-CD2 3.82Å; Y296-L304 HydrophobicContact CD1-CD2 4.44Å; Y296-L304 HydrophobicContact CD2-CD1 4.33Å; Y296-L304 HydrophobicContact CD2-CD2 4.31Å; Y296-L304 HydrophobicContact CG-CD1 4.49Å; Y296-L304 HydrophobicContact CG-CD2 3.89Å; Y296-Y305 HydrophobicContact CD1-CE2 4.21Å; Y296-Y305 HydrophobicContact CE1-CE2 4.36Å; Y296-D626 WeakPolarHBondContact CE1-O 3.38Å; Y296-N627 HydrophobicContact CE1-CB 4.19Å; Y296-N627 VanDerWaalsContact OH-CB 3.22Å; Y296-N627 WeakPolarHBondContact OH-CB 3.12Å; Y296-H633 AromaticContact CE2-CE1 3.6Å; Y296-H633 AromaticContact CE2-ND1 3.84Å; Y296-H633 AromaticContact CZ-CE1 3.88Å; Y296-H633 AromaticContact CZ-ND1 3.82Å
297	E	92	Very high	96.6	Very high	62 Å²	62	23.3 Å²	23.3	29%	0.29	11%	0.11	S	C	.	.	P	Polyproline II helix	trans	-85	161.8	175.1	-82	177.9	-160.5	0	0	111.6	A25 V26 K28 N300	A25-E297 HydrophobicContact CB-CG 4.33Å; A25-E297 WeakPolarHBondContact CB-OE1 3.39Å; V26-E297 HydrophobicContact CG1-CB 4.03Å; V26-E297 HydrophobicContact CG1-CG 3.57Å; K28-E297 VanDerWaalsContact CE-CD 3.49Å; K28-E297 WeakPolarHBondContact CE-OE2 3.47Å; K28-E297 IonicContact NZ-OE1 2.84Å; K28-E297 IonicContact NZ-OE2 2.67Å; K28-E297 PolarHBondContact NZ-OE2 2.65Å; E297-N300 PolarHBondContact O-ND2 2.83Å
298	L	97.2	Very high	96.6	Very high	31 Å²	31	23 Å²	23	16%	0.162	11%	0.109	C	C	.	.	S	Bend	trans	-94.1	164.6	178	-52.3	-175.8	0	0	0	112.4	A272 Y296 N300 D632 I636	A272-L298 HydrophobicContact CB-CD2 3.83Å; A272-L298 CarbonylContact O-C 3.55Å; Y296-L298 HydrophobicContact CD2-CD2 4.29Å; Y296-L298 HydrophobicContact CE2-CD2 3.82Å; L298-N300 VanDerWaalsContact C-N 3.34Å; L298-N300 PolarHBondContact O-N 2.57Å; L298-N300 PolarHBondContact O-ND2 2.94Å; L298-N300 VanDerWaalsContact O-ND2 3.14Å; L298-D632 HydrophobicContact CD1-CB 3.39Å; L298-I636 HydrophobicContact CD1-CB 4.49Å; L298-I636 HydrophobicContact CD1-CG2 4.49Å; L298-I636 HydrophobicContact CD2-CB 4.22Å; L298-I636 HydrophobicContact CD2-CG1 4.25Å; L298-I636 HydrophobicContact CD2-CG2 3.73Å
299	Y	96.5	Very high	96.6	Very high	98 Å²	98	23 Å²	23	38%	0.384	11%	0.109	S	C	.	.	S	Bend	trans	53.5	41.1	172.9	-52.7	-68.1	0	0	0	115.1	A272 D273 T274 I636	A272-Y299 WeakPolarHBondContact O-CA 3.46Å; A272-Y299 PolarHBondContact O-N 2.85Å; D273-Y299 WeakPolarHBondContact OD1-CA 3.4Å; T274-Y299 HydrophobicContact CG2-CD1 4.28Å; T274-Y299 HydrophobicContact CG2-CE1 4.33Å; Y299-I636 HydrophobicContact CD1-CD1 3.93Å; Y299-I636 HydrophobicContact CE1-CD1 3.42Å; Y299-I636 VanDerWaalsContact CE1-CD1 3.42Å
300	N	96.1	Very high	96.6	Very high	20 Å²	20	22.9 Å²	22.9	11%	0.107	11%	0.109	C	C	.	.	S	Bend	trans	-139.2	158.6	-179.6	71.4	82	0	0	0	111.8	E297 L298 M302	E297-N300 PolarHBondContact O-ND2 2.83Å; L298-N300 VanDerWaalsContact C-N 3.34Å; L298-N300 PolarHBondContact O-N 2.57Å; L298-N300 PolarHBondContact O-ND2 2.94Å; L298-N300 VanDerWaalsContact O-ND2 3.14Å; N300-M302 VanDerWaalsContact C-N 3.33Å; N300-M302 PolarHBondContact O-N 3.34Å; N300-M302 WeakPolarHBondContact OD1-CB 3.29Å; N300-M302 WeakPolarHBondContact OD1-CG 3.47Å; N300-M302 PolarHBondContact OD1-N 2.85Å; N300-M302 VanDerWaalsContact OD1-N 3.09Å
301	P	97.8	Very high	96.6	Very high	34 Å²	34	23 Å²	23	22%	0.221	11%	0.109	C	C	.	.			trans	-87.9	11.9	-174.3	35.3	-36.5	0	0	0	114.6	H271 D284 Y286 R287	H271-P301 PolarHBondContact CD2-O 2.9Å; D284-P301 HydrophobicContact CB-CG 4.26Å; Y286-P301 HydrophobicContact CD1-CB 3.79Å; Y286-P301 HydrophobicContact CE1-CB 4.1Å; Y286-P301 HydrophobicContact CG-CB 4.11Å; R287-P301 PolarHBondContact N-O 3.16Å; R287-P301 VanDerWaalsContact N-O 3.13Å
302	M	98.4	Very high	96.6	Very high	38 Å²	38	23 Å²	23	19%	0.187	11%	0.109	C	C	.	.			trans	-64.1	136.6	179.1	-66	174.4	57.3	0	0	110.3	V26 K28 F31 H271 V293 N300	V26-M302 HydrophobicContact CG2-CE 4.16Å; K28-M302 HydrophobicContact CD-SD 4.28Å; K28-M302 HydrophobicContact CG-CE 4.48Å; K28-M302 HydrophobicContact CG-SD 4.07Å; F31-M302 HydrophobicContact CB-CE 4.04Å; F31-M302 HydrophobicContact CD2-CE 3.69Å; F31-M302 HydrophobicContact CE2-CE 4.49Å; F31-M302 HydrophobicContact CG-CE 4.05Å; H271-M302 PolarHBondContact CD2-O 3.5Å; H271-M302 VanDerWaalsContact CD2-O 3.27Å; V293-M302 HydrophobicContact CG1-CE 4.4Å; N300-M302 VanDerWaalsContact C-N 3.33Å; N300-M302 PolarHBondContact O-N 3.34Å; N300-M302 WeakPolarHBondContact OD1-CB 3.29Å; N300-M302 WeakPolarHBondContact OD1-CG 3.47Å; N300-M302 PolarHBondContact OD1-N 2.85Å; N300-M302 VanDerWaalsContact OD1-N 3.09Å
303	A	98.6	Very high	96.6	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.033	11%	0.107	C	C	.	.			trans	-60.6	142	174.2	0	0	0	0	0	110.7	R287 Y289 L291 V293	R287-A303 HydrophobicContact CB-CB 3.95Å; R287-A303 HydrophobicContact CG-CB 4.03Å; R287-A303 WeakPolarHBondContact O-CA 3.43Å; R287-A303 VanDerWaalsContact O-CB 3.22Å; R287-A303 WeakPolarHBondContact O-CB 3.46Å; Y289-A303 WeakPolarHBondContact O-CB 3.32Å; L291-A303 HydrophobicContact CD1-CB 4.36Å; V293-A303 VanDerWaalsContact CG2-O 3.3Å; V293-A303 WeakPolarHBondContact CG2-O 3.32Å
304	L	98.8	Very high	96.7	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	11%	0.107	C	C	.	.			trans	-109	-140.8	170.1	-59.9	-179.7	0	0	0	109.7	E270 A272 L291 V293 Y296 M640	E270-L304 HydrophobicContact CB-CB 4.13Å; E270-L304 HydrophobicContact CG-CB 4.1Å; E270-L304 HydrophobicContact CG-CD1 4.1Å; E270-L304 PolarHBondContact O-N 2.81Å; A272-L304 HydrophobicContact CB-CD1 4.01Å; L291-L304 PolarHBondContact N-O 2.78Å; L291-L304 CarbonylContact O-C 3.48Å; V293-L304 HydrophobicContact CB-CD2 4.07Å; V293-L304 HydrophobicContact CG1-CD2 4.38Å; V293-L304 HydrophobicContact CG2-CD2 4.23Å; Y296-L304 HydrophobicContact CD1-CD2 4.44Å; Y296-L304 HydrophobicContact CD2-CD1 4.33Å; Y296-L304 HydrophobicContact CD2-CD2 4.31Å; Y296-L304 HydrophobicContact CG-CD1 4.49Å; Y296-L304 HydrophobicContact CG-CD2 3.89Å; L304-M640 HydrophobicContact CD1-CE 3.73Å
305	Y	98.7	Very high	97.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-83.7	-27	-163.2	-48.1	-83.1	0	0	0	113.5	E270 N290 L291 V293 Y296 R610 A611 G625 D626	E270-Y305 WeakPolarHBondContact OE2-CD2 3.22Å; E270-Y305 PolarHBondContact OE2-N 2.79Å; N290-Y305 WeakPolarHBondContact CB-O 3.22Å; N290-Y305 PolarHBondContact OD1-O 3.12Å; L291-Y305 VanDerWaalsContact O-CD1 3.23Å; L291-Y305 WeakPolarHBondContact O-CD1 3.39Å; V293-Y305 PolarHBondContact O-OH 2.83Å; Y296-Y305 HydrophobicContact CD1-CE2 4.21Å; Y296-Y305 HydrophobicContact CE1-CE2 4.36Å; Y305-R610 HydrophobicContact CD1-CG 3.83Å; Y305-R610 HydrophobicContact CD2-CG 4.48Å; Y305-R610 HydrophobicContact CG-CG 3.77Å; Y305-A611 VanDerWaalsContact O-CA 3.24Å; Y305-A611 WeakPolarHBondContact O-CA 3.3Å; Y305-A611 VanDerWaalsContact O-CB 3.28Å; Y305-A611 WeakPolarHBondContact O-CB 3.24Å; Y305-G625 VanDerWaalsContact CE2-CA 3.48Å; Y305-D626 PolarHBondContact OH-N 3.25Å; Y305-D626 VanDerWaalsContact OH-N 3.13Å
306	G	98.8	Very high	97.4	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.021	9%	0.091	C	C	.	.			trans	-126.7	163.3	-179.3	0	0	0	0	0	114.5	E270 N290	E270-G306 WeakPolarHBondContact CB-O 3.39Å; E270-G306 PolarHBondContact N-O 2.86Å; N290-G306 WeakPolarHBondContact OD1-CA 3.36Å
307	A	98.8	Very high	97.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-141.4	108.2	-177	0	0	0	0	0	111.2	P269 L288 N290 N581 F612 F613	P269-A307 CarbonylContact O-C 3.4Å; P269-A307 VanDerWaalsContact O-CA 3.31Å; P269-A307 WeakPolarHBondContact O-CA 3.49Å; L288-A307 HydrophobicContact CB-CB 3.99Å; L288-A307 HydrophobicContact CD2-CB 4.18Å; N290-A307 WeakPolarHBondContact OD1-CB 3.48Å; N290-A307 PolarHBondContact OD1-N 3.4Å; A307-N581 HydrophobicContact CB-CB 4.28Å; A307-F612 PolarHBondContact N-O 3.21Å; A307-F613 HydrophobicContact CB-CD2 4.46Å; A307-F613 WeakPolarHBondContact O-CA 3.39Å; A307-F613 WeakPolarHBondContact O-CD2 3.42Å; A307-F613 WeakPolarHBondContact O-CE2 3.27Å
308	V	98.9	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.			trans	-113.1	100.9	172.2	-174.4	0	0	0	0	108.5	I268 P269 V310 F612 A614 V647 I649	I268-V308 WeakPolarHBondContact CA-O 3.19Å; P269-V308 HydrophobicContact CG-CB 3.96Å; P269-V308 HydrophobicContact CG-CG2 4.18Å; P269-V308 PolarHBondContact O-N 2.75Å; V308-V310 HydrophobicContact CG1-CB 4.2Å; V308-V310 HydrophobicContact CG1-CG2 3.78Å; V308-V310 PolarHBondContact O-N 3.44Å; V308-F612 HydrophobicContact CG2-CD2 3.93Å; V308-F612 HydrophobicContact CG2-CE2 4.15Å; V308-A614 HydrophobicContact CG1-CB 4.23Å; V308-V647 HydrophobicContact CB-CB 4.46Å; V308-V647 HydrophobicContact CB-CG2 3.86Å; V308-V647 HydrophobicContact CG1-CB 3.78Å; V308-V647 HydrophobicContact CG1-CG2 3.66Å; V308-V647 HydrophobicContact CG2-CG2 4.21Å; V308-I649 HydrophobicContact CG2-CD1 3.7Å
309	P	98.9	Very high	97.8	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.013	11%	0.109	C	C	.	.			trans	-78.4	57.1	-171.9	33.5	-38.1	0	0	0	112.4	L288 F323 W324 W364 F613	L288-P309 HydrophobicContact CD1-CB 3.94Å; P309-F323 HydrophobicContact CG-CE2 4.22Å; P309-W324 HydrophobicContact CB-CB 4.32Å; P309-W324 VanDerWaalsContact CB-O 3.24Å; P309-W324 WeakPolarHBondContact CB-O 3.35Å; P309-W324 WeakPolarHBondContact CG-O 3.49Å; P309-W324 PolarHBondContact O-N 3.31Å; P309-W364 HydrophobicContact CB-CH2 4.4Å; P309-W364 HydrophobicContact CB-CZ3 3.77Å; P309-F613 HydrophobicContact CG-CE2 3.84Å; P309-F613 HydrophobicContact CG-CZ 3.64Å
310	V	98.9	Very high	97.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125	-178.9	-179.1	0	0	0	0	108.4	I268 V308 L312 I322 F323 M376 Y388 V647	I268-V310 PolarHBondContact N-O 3.12Å; V308-V310 HydrophobicContact CG1-CB 4.2Å; V308-V310 HydrophobicContact CG1-CG2 3.78Å; V308-V310 PolarHBondContact O-N 3.44Å; V310-L312 HydrophobicContact CG1-CD1 4.01Å; V310-I322 CarbonylContact C-O 3.56Å; V310-I322 WeakPolarHBondContact CA-O 3.39Å; V310-F323 HydrophobicContact CG2-CB 4.15Å; V310-F323 HydrophobicContact CG2-CD2 3.44Å; V310-F323 VanDerWaalsContact CG2-CD2 3.44Å; V310-F323 HydrophobicContact CG2-CE2 4.05Å; V310-F323 HydrophobicContact CG2-CG 4.02Å; V310-M376 HydrophobicContact CG1-CE 4.08Å; V310-Y388 HydrophobicContact CB-CE2 4.49Å; V310-Y388 HydrophobicContact CG1-CD2 4.39Å; V310-Y388 HydrophobicContact CG1-CE2 4.43Å; V310-Y388 HydrophobicContact CG2-CD2 4.03Å; V310-Y388 HydrophobicContact CG2-CE2 3.31Å; V310-V647 HydrophobicContact CB-CB 4.15Å; V310-V647 HydrophobicContact CB-CG1 3.79Å; V310-V647 HydrophobicContact CG1-CB 4.41Å; V310-V647 HydrophobicContact CG1-CG1 3.93Å
311	M	98.9	Very high	98	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135	174.9	-176.6	177	-69.8	0	0	110.1	V265 Y266 I268 L277 G321 I322 V332 I334 V362 W364	V265-M311 HydrophobicContact CB-CG 4.09Å; V265-M311 HydrophobicContact CB-SD 3.87Å; V265-M311 HydrophobicContact CG1-CG 4.49Å; V265-M311 HydrophobicContact CG1-SD 4.06Å; V265-M311 HydrophobicContact CG2-SD 4.27Å; Y266-M311 CarbonylContact O-C 3.54Å; Y266-M311 VanDerWaalsContact O-CA 3.3Å; Y266-M311 WeakPolarHBondContact O-CA 3.46Å; Y266-M311 WeakPolarHBondContact O-CG 3.43Å; I268-M311 HydrophobicContact CD1-CE 3.96Å; I268-M311 HydrophobicContact CG2-CB 4.27Å; I268-M311 HydrophobicContact CG2-CE 4.25Å; L277-M311 HydrophobicContact CD1-CE 3.92Å; M311-G321 CarbonylContact O-C 3.58Å; M311-G321 WeakPolarHBondContact O-CA 3.39Å; M311-I322 PolarHBondContact N-O 2.95Å; M311-I322 PolarHBondContact O-N 3.39Å; M311-V332 HydrophobicContact CE-CG1 3.78Å; M311-I334 HydrophobicContact CE-CD1 3.89Å; M311-I334 HydrophobicContact CE-CG1 4.29Å; M311-V362 HydrophobicContact CE-CG1 3.65Å; M311-V362 HydrophobicContact CE-CG2 4.32Å; M311-V362 HydrophobicContact SD-CB 4.26Å; M311-V362 HydrophobicContact SD-CG1 3.77Å; M311-V362 HydrophobicContact SD-CG2 3.6Å; M311-V362 VanDerWaalsContact SD-CG2 3.6Å; M311-W364 HydrophobicContact CB-CH2 4.34Å; M311-W364 HydrophobicContact CB-CZ2 3.81Å; M311-W364 HydrophobicContact CE-CZ2 4.33Å
312	L	98.9	Very high	98.1	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	140.1	169.8	-77.9	72.9	0	0	0	109.1	V265 Y266 V310 T319 M320 V384 F385 L646 V647 W738	V265-L312 CarbonylContact C-O 3.5Å; V265-L312 WeakPolarHBondContact CA-O 3.49Å; Y266-L312 PolarHBondContact N-O 3.25Å; Y266-L312 PolarHBondContact O-N 3.19Å; V310-L312 HydrophobicContact CG1-CD1 4.01Å; L312-T319 HydrophobicContact CD2-CG2 4.48Å; L312-M320 CarbonylContact C-O 3.46Å; L312-M320 WeakPolarHBondContact CA-O 3.33Å; L312-V384 HydrophobicContact CD2-CG1 4.22Å; L312-V384 HydrophobicContact CG-CG1 4.11Å; L312-F385 HydrophobicContact CD2-CD1 4.39Å; L312-F385 HydrophobicContact CD2-CE1 3.68Å; L312-F385 HydrophobicContact CD2-CZ 4.42Å; L312-L646 HydrophobicContact CD2-CD2 4.49Å; L312-V647 HydrophobicContact CD1-CG1 4.24Å; L312-W738 HydrophobicContact CD2-CH2 4.09Å
313	S	98.4	Very high	98.1	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.021	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.5	172.9	63.8	0	0	0	0	109.7	T319 M320	S313-T319 CarbonylContact O-C 3.52Å; S313-T319 WeakPolarHBondContact O-CA 3.32Å; S313-M320 PolarHBondContact N-O 2.83Å; S313-M320 PolarHBondContact O-N 2.91Å; S313-M320 PolarHBondContact OG-O 2.99Å
314	H	98.3	Very high	98.1	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.2	-173.5	-172.9	53.6	0	0	0	112.7	H264 Y266 T319 W738 P742 F748	H264-H314 PolarHBondContact O-N 2.59Å; Y266-H314 HydrophobicContact CE2-CB 3.77Å; H314-T319 PolarHBondContact ND1-OG1 3.46Å; H314-W738 HydrophobicContact CB-CE3 4.48Å; H314-W738 HydrophobicContact CB-CZ3 4.35Å; H314-W738 AromaticContact CD2-CE3 3.59Å; H314-W738 AromaticContact CE1-CE3 3.85Å; H314-W738 AromaticContact CG-CE3 3.74Å; H314-W738 AromaticContact CG-CZ3 3.92Å; H314-W738 AromaticContact ND1-CE3 3.88Å; H314-W738 AromaticContact ND1-CZ3 3.93Å; H314-W738 AromaticContact NE2-CE3 3.66Å; H314-P742 PolarHBondContact CE1-O 3.47Å; H314-P742 PolarHBondContact NE2-O 3.25Å; H314-F748 AromaticContact CD2-CD1 3.69Å; H314-F748 AromaticContact CD2-CE1 3.57Å; H314-F748 AromaticContact CD2-CE2 3.96Å; H314-F748 AromaticContact CD2-CG 3.97Å; H314-F748 AromaticContact CD2-CZ 3.7Å; H314-F748 AromaticContact NE2-CD1 3.65Å; H314-F748 AromaticContact NE2-CE1 3.07Å; H314-F748 WeakPolarHBondContact NE2-CE1 3.37Å; H314-F748 AromaticContact NE2-CZ 3.28Å; H314-F748 VanDerWaalsContact NE2-CZ 3.28Å; H314-F748 WeakPolarHBondContact NE2-CZ 3.43Å
315	N	95.8	Very high	98.1	Very high	25 Å²	25	12.9 Å²	12.9	13%	0.134	7%	0.067	C	C	.	.			trans	-144.4	178.7	159.4	64.5	28.1	0	0	0	109.6	G261 Q317 R318	G261-N315 WeakPolarHBondContact O-CB 3.44Å; G261-N315 PolarHBondContact O-ND2 3.31Å; N315-Q317 VanDerWaalsContact CG-OE1 3.29Å; N315-Q317 PolarHBondContact O-N 2.99Å; N315-Q317 WeakPolarHBondContact OD1-CA 3.43Å; N315-Q317 WeakPolarHBondContact OD1-CB 3.43Å; N315-Q317 PolarHBondContact OD1-N 2.99Å; N315-Q317 PolarHBondContact OD1-OE1 3.28Å; N315-R318 PolarHBondContact N-O 3.47Å; N315-R318 PolarHBondContact O-N 2.8Å; N315-R318 PolarHBondContact OD1-N 2.79Å; N315-R318 PolarHBondContact OD1-O 3.03Å
316	A	95.6	Very high	98.1	Very high	32 Å²	32	13.2 Å²	13.2	26%	0.264	7%	0.068	S	C	.	.	S	Bend	trans	-62.5	-15.7	-176.8	0	0	0	0	0	114.4	P742 F748	A316-P742 WeakPolarHBondContact CA-O 3.5Å; A316-F748 HydrophobicContact CB-CZ 4.31Å
317	Q	94.4	Very high	98.1	Very high	156 Å²	156	13.1 Å²	13.1	73%	0.729	7%	0.067	S	C	*	.	S	Bend	trans	-100.5	-32.3	-176.7	-61.7	80.9	0	0	0	112.2	N315	N315-Q317 VanDerWaalsContact CG-OE1 3.29Å; N315-Q317 PolarHBondContact O-N 2.99Å; N315-Q317 WeakPolarHBondContact OD1-CA 3.43Å; N315-Q317 WeakPolarHBondContact OD1-CB 3.43Å; N315-Q317 PolarHBondContact OD1-N 2.99Å; N315-Q317 PolarHBondContact OD1-OE1 3.28Å
318	R	95.8	Very high	98.1	Very high	32 Å²	32	13.1 Å²	13.1	12%	0.121	7%	0.067	C	C	.	.			trans	-158.5	146	-169.7	-171.5	173.4	-74.2	-112.2	3.3	113.1	E155 N315 M320 L377 P379	E155-R318 IonicContact OE1-CZ 2.68Å; E155-R318 IonicContact OE1-NH1 3.83Å; E155-R318 IonicContact OE1-NH2 3.58Å; E155-R318 PolarHBondContact OE1-NH2 2.81Å; E155-R318 IonicContact OE2-CZ 3.71Å; E155-R318 IonicContact OE2-NH2 3.24Å; E155-R318 PolarHBondContact OE2-NH2 3.07Å; N315-R318 PolarHBondContact N-O 3.47Å; N315-R318 PolarHBondContact O-N 2.8Å; N315-R318 PolarHBondContact OD1-N 2.79Å; N315-R318 PolarHBondContact OD1-O 3.03Å; R318-M320 HydrophobicContact CG-CG 3.86Å; R318-L377 PolarHBondContact NH1-O 2.86Å; R318-P379 WeakPolarHBondContact CA-O 3.37Å; R318-P379 HydrophobicContact CG-CB 4.13Å
319	T	98.5	Very high	98.1	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.7	161.3	-51.8	0	0	0	0	109.5	L312 S313 H314 G378 P379 P381 V384 W738	L312-T319 HydrophobicContact CD2-CG2 4.48Å; S313-T319 CarbonylContact O-C 3.52Å; S313-T319 WeakPolarHBondContact O-CA 3.32Å; H314-T319 PolarHBondContact ND1-OG1 3.46Å; T319-G378 WeakPolarHBondContact O-CA 3.4Å; T319-P379 PolarHBondContact N-O 3.39Å; T319-P381 WeakPolarHBondContact OG1-CG 3.27Å; T319-V384 HydrophobicContact CG2-CG2 4.03Å; T319-W738 HydrophobicContact CG2-CH2 4.4Å; T319-W738 HydrophobicContact CG2-CZ3 4.19Å
320	M	98.6	Very high	98.1	Very high	7 Å²	7	13 Å²	13	3%	0.034	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	170.7	172	-56	176.1	-68.2	0	0	109.1	L160 L259 L312 S313 R318 M376	L160-M320 HydrophobicContact CB-SD 3.91Å; L160-M320 WeakPolarHBondContact O-CE 3.47Å; L259-M320 HydrophobicContact CD2-CE 4.38Å; L312-M320 CarbonylContact C-O 3.46Å; L312-M320 WeakPolarHBondContact CA-O 3.33Å; S313-M320 PolarHBondContact N-O 2.83Å; S313-M320 PolarHBondContact O-N 2.91Å; S313-M320 PolarHBondContact OG-O 2.99Å; R318-M320 HydrophobicContact CG-CG 3.86Å; M320-M376 CarbonylContact C-O 3.45Å; M320-M376 WeakPolarHBondContact CA-O 3.44Å; M320-M376 WeakPolarHBondContact CB-O 3.5Å
321	G	98.7	Very high	98.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.2	172.4	0	0	0	0	0	114.1	M311 M376	M311-G321 CarbonylContact O-C 3.58Å; M311-G321 WeakPolarHBondContact O-CA 3.39Å; G321-M376 PolarHBondContact N-O 3.34Å; G321-M376 PolarHBondContact O-N 2.89Å
322	I	98.9	Very high	98.1	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.9	175.1	-60.6	170.1	0	0	0	106.3	M161 F257 L259 V310 M311 W364 V373	M161-I322 HydrophobicContact CE-CD1 3.95Å; M161-I322 HydrophobicContact CE-CG1 3.61Å; M161-I322 HydrophobicContact SD-CD1 4.2Å; M161-I322 HydrophobicContact SD-CG1 4.14Å; F257-I322 HydrophobicContact CB-CD1 3.89Å; F257-I322 HydrophobicContact CD1-CD1 3.87Å; F257-I322 HydrophobicContact CD1-CG1 4.5Å; F257-I322 HydrophobicContact CD2-CD1 4.36Å; F257-I322 HydrophobicContact CE1-CG2 4.27Å; F257-I322 HydrophobicContact CE2-CG2 4.5Å; F257-I322 HydrophobicContact CG-CD1 3.78Å; F257-I322 HydrophobicContact CZ-CG2 4.21Å; L259-I322 HydrophobicContact CD2-CD1 4.42Å; V310-I322 CarbonylContact C-O 3.56Å; V310-I322 WeakPolarHBondContact CA-O 3.39Å; M311-I322 PolarHBondContact N-O 2.95Å; M311-I322 PolarHBondContact O-N 3.39Å; I322-W364 HydrophobicContact CG2-CZ2 4.3Å; I322-V373 HydrophobicContact CG2-CG2 3.61Å
323	F	98.9	Very high	98.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	108.1	170.6	170.6	-144.2	0	0	0	109.3	V111 L112 P309 V310 L325 V373 F374 M376 Y388 L391 T392 A614	V111-F323 HydrophobicContact CG1-CZ 3.9Å; L112-F323 HydrophobicContact CD2-CE1 4.31Å; P309-F323 HydrophobicContact CG-CE2 4.22Å; V310-F323 HydrophobicContact CG2-CB 4.15Å; V310-F323 HydrophobicContact CG2-CD2 3.44Å; V310-F323 VanDerWaalsContact CG2-CD2 3.44Å; V310-F323 HydrophobicContact CG2-CE2 4.05Å; V310-F323 HydrophobicContact CG2-CG 4.02Å; F323-L325 HydrophobicContact CE1-CB 4.39Å; F323-L325 HydrophobicContact CE1-CD1 4.31Å; F323-L325 HydrophobicContact CE2-CB 4.45Å; F323-L325 HydrophobicContact CE2-CD1 4.26Å; F323-L325 HydrophobicContact CZ-CB 4.21Å; F323-L325 HydrophobicContact CZ-CD1 3.67Å; F323-L325 HydrophobicContact CZ-CG 4.43Å; F323-V373 WeakPolarHBondContact O-CA 3.33Å; F323-F374 HydrophobicContact CB-CB 4.19Å; F323-F374 HydrophobicContact CD1-CB 4.33Å; F323-F374 AromaticContact CD1-CD2 3.62Å; F323-F374 HydrophobicContact CD1-CD2 3.62Å; F323-F374 HydrophobicContact CD1-CE2 4.26Å; F323-F374 HydrophobicContact CD1-CG 4.18Å; F323-F374 HydrophobicContact CE1-CD2 4.16Å; F323-F374 HydrophobicContact CE1-CE2 4.36Å; F323-F374 HydrophobicContact CG-CD2 4.37Å; F323-F374 PolarHBondContact N-O 3.03Å; F323-F374 PolarHBondContact O-N 2.75Å; F323-M376 HydrophobicContact CB-CE 4.26Å; F323-Y388 HydrophobicContact CD1-CD2 4.38Å; F323-Y388 HydrophobicContact CD1-CE2 4.12Å; F323-Y388 HydrophobicContact CD2-CE2 4.2Å; F323-Y388 HydrophobicContact CE1-CE2 4.25Å; F323-Y388 HydrophobicContact CE2-CE2 4.33Å; F323-Y388 HydrophobicContact CG-CD2 4.41Å; F323-Y388 HydrophobicContact CG-CE2 4.07Å; F323-Y388 HydrophobicContact CZ-CE2 4.33Å; F323-L391 HydrophobicContact CD1-CD1 4.15Å; F323-T392 HydrophobicContact CE1-CG2 3.73Å; F323-T392 HydrophobicContact CZ-CG2 3.89Å; F323-A614 HydrophobicContact CE2-CB 3.7Å; F323-A614 HydrophobicContact CZ-CB 3.83Å
324	W	98.9	Very high	98.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	95.8	179.6	-179.8	-96	0	0	0	109.6	V253 L255 F257 P309 N326 W364 S366 I371 V373	V253-W324 HydrophobicContact CG2-CZ2 4.15Å; L255-W324 HydrophobicContact CB-CH2 4.02Å; L255-W324 HydrophobicContact CB-CZ3 3.91Å; L255-W324 HydrophobicContact CD2-CZ3 4.37Å; F257-W324 HydrophobicContact CE2-CE3 4.38Å; F257-W324 HydrophobicContact CE2-CZ3 4.31Å; F257-W324 HydrophobicContact CZ-CE3 4.34Å; F257-W324 HydrophobicContact CZ-CZ3 4.29Å; P309-W324 HydrophobicContact CB-CB 4.32Å; P309-W324 VanDerWaalsContact CB-O 3.24Å; P309-W324 WeakPolarHBondContact CB-O 3.35Å; P309-W324 WeakPolarHBondContact CG-O 3.49Å; P309-W324 PolarHBondContact O-N 3.31Å; W324-N326 VanDerWaalsContact C-N 3.32Å; W324-N326 PolarHBondContact O-N 2.91Å; W324-W364 HydrophobicContact CB-CD2 3.81Å; W324-W364 HydrophobicContact CB-CE3 3.51Å; W324-W364 HydrophobicContact CB-CG 4.46Å; W324-W364 HydrophobicContact CB-CH2 4.16Å; W324-W364 HydrophobicContact CB-CZ2 4.44Å; W324-W364 HydrophobicContact CB-CZ3 3.71Å; W324-W364 AromaticContact CD1-CE3 3.79Å; W324-W364 HydrophobicContact CD2-CB 3.8Å; W324-W364 HydrophobicContact CD2-CD2 4.3Å; W324-W364 HydrophobicContact CD2-CE3 4.36Å; W324-W364 HydrophobicContact CD2-CG 4.09Å; W324-W364 HydrophobicContact CE3-CB 3.95Å; W324-W364 HydrophobicContact CE3-CG 4.15Å; W324-W364 HydrophobicContact CG-CB 4.26Å; W324-W364 AromaticContact CG-CD2 3.94Å; W324-W364 HydrophobicContact CG-CD2 3.94Å; W324-W364 AromaticContact CG-CE3 3.61Å; W324-W364 HydrophobicContact CG-CE3 3.61Å; W324-W364 HydrophobicContact CG-CG 4.24Å; W324-W364 HydrophobicContact CG-CZ3 4.24Å; W324-W364 HydrophobicContact CH2-CB 4.29Å; W324-W364 HydrophobicContact CZ2-CB 4.17Å; W324-W364 HydrophobicContact CZ3-CB 4.19Å; W324-S366 PolarHBondContact NE1-OG 3.38Å; W324-I371 HydrophobicContact CH2-CB 4.13Å; W324-I371 HydrophobicContact CH2-CD1 4.36Å; W324-I371 HydrophobicContact CH2-CG1 3.8Å; W324-I371 HydrophobicContact CH2-CG2 3.79Å; W324-I371 HydrophobicContact CZ2-CG1 4.44Å; W324-I371 HydrophobicContact CZ3-CG2 3.74Å; W324-V373 HydrophobicContact CE3-CB 4.09Å; W324-V373 HydrophobicContact CE3-CG2 4.36Å
325	L	98.9	Very high	98	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	7%	0.074	C	C	.	.			trans	-79.9	79.5	-174.3	-178.4	58.1	0	0	0	110.7	V108 V111 L112 F323 D372 F374 F613	V108-L325 HydrophobicContact CB-CD1 3.69Å; V108-L325 HydrophobicContact CB-CD2 4.45Å; V108-L325 HydrophobicContact CB-CG 3.85Å; V108-L325 HydrophobicContact CG1-CD1 3.6Å; V108-L325 HydrophobicContact CG1-CG 4.32Å; V108-L325 HydrophobicContact CG2-CD1 4.17Å; V108-L325 HydrophobicContact CG2-CG 4.24Å; V111-L325 HydrophobicContact CB-CD1 4.04Å; V111-L325 HydrophobicContact CG1-CD1 3.77Å; V111-L325 HydrophobicContact CG2-CD1 4.47Å; L112-L325 HydrophobicContact CD1-CD2 3.99Å; L112-L325 HydrophobicContact CD2-CD2 4.28Å; L112-L325 HydrophobicContact CG-CD2 3.96Å; F323-L325 HydrophobicContact CE1-CB 4.39Å; F323-L325 HydrophobicContact CE1-CD1 4.31Å; F323-L325 HydrophobicContact CE2-CB 4.45Å; F323-L325 HydrophobicContact CE2-CD1 4.26Å; F323-L325 HydrophobicContact CZ-CB 4.21Å; F323-L325 HydrophobicContact CZ-CD1 3.67Å; F323-L325 HydrophobicContact CZ-CG 4.43Å; L325-D372 HydrophobicContact CB-CB 4.32Å; L325-D372 PolarHBondContact N-O 2.81Å; L325-F374 HydrophobicContact CB-CE2 4.17Å; L325-F374 HydrophobicContact CD2-CE2 3.88Å; L325-F613 HydrophobicContact CD1-CE1 4.47Å
326	N	98.9	Very high	97.6	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.032	9%	0.09	C	C	.	.			trans	-140.8	133.1	176	-165.3	-60	0	0	0	110.6	W324 A328 S366 S368 I370 F613	W324-N326 VanDerWaalsContact C-N 3.32Å; W324-N326 PolarHBondContact O-N 2.91Å; N326-A328 VanDerWaalsContact OD1-CB 3.3Å; N326-A328 WeakPolarHBondContact OD1-CB 3.49Å; N326-A328 PolarHBondContact OD1-N 3.24Å; N326-S366 VanDerWaalsContact CG-CB 3.5Å; N326-S368 PolarHBondContact ND2-O 2.98Å; N326-I370 PolarHBondContact ND2-O 3.46Å; N326-I370 VanDerWaalsContact ND2-O 3.14Å; N326-F613 WeakPolarHBondContact O-CZ 3.33Å
327	A	98.9	Very high	96.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.			trans	-97.9	-6.5	-174.3	0	0	0	0	0	114.4	Y106 V108 D578 N581 L582	Y106-A327 HydrophobicContact CE1-CB 4.16Å; V108-A327 HydrophobicContact CG2-CB 3.8Å; A327-D578 WeakPolarHBondContact CB-O 3.38Å; A327-N581 VanDerWaalsContact O-CB 3.3Å; A327-N581 WeakPolarHBondContact O-CB 3.46Å; A327-N581 PolarHBondContact O-N 3.46Å; A327-N581 VanDerWaalsContact O-N 3.14Å; A327-N581 PolarHBondContact O-ND2 3.11Å; A327-L582 HydrophobicContact CB-CD1 3.53Å; A327-L582 HydrophobicContact CB-CD2 4.35Å; A327-L582 HydrophobicContact CB-CG 3.54Å
328	A	98.9	Very high	95.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-76.6	171	177.8	0	0	0	0	0	111.6	N326 T330 E367 R577 N581	N326-A328 VanDerWaalsContact OD1-CB 3.3Å; N326-A328 WeakPolarHBondContact OD1-CB 3.49Å; N326-A328 PolarHBondContact OD1-N 3.24Å; A328-T330 PolarHBondContact O-N 2.94Å; A328-T330 VanDerWaalsContact O-N 3.16Å; A328-T330 PolarHBondContact O-OG1 2.86Å; A328-E367 HydrophobicContact CB-CB 4.25Å; A328-R577 WeakPolarHBondContact CA-O 3.31Å; A328-R577 WeakPolarHBondContact CB-O 3.01Å; A328-N581 PolarHBondContact O-ND2 3.44Å; A328-N581 VanDerWaalsContact O-ND2 3.09Å
329	E	98.9	Very high	93.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.072	C	C	.	.			trans	-51	124	167.5	-175.4	-179.8	166.1	0	0	109.7	F39 R287 Y289 W331 S366 E367 K567	F39-E329 HydrophobicContact CE1-CB 4.22Å; F39-E329 HydrophobicContact CE1-CG 4.1Å; F39-E329 HydrophobicContact CZ-CB 4Å; F39-E329 HydrophobicContact CZ-CG 3.82Å; F39-E329 WeakPolarHBondContact CZ-O 3.35Å; R287-E329 IonicContact CZ-OE1 3.91Å; R287-E329 VanDerWaalsContact CZ-OE1 3.26Å; R287-E329 IonicContact NE-OE1 3.9Å; R287-E329 PolarHBondContact NE-OE1 2.96Å; R287-E329 VanDerWaalsContact NH2-CD 3.33Å; R287-E329 IonicContact NH2-OE1 3.32Å; R287-E329 PolarHBondContact NH2-OE1 2.88Å; R287-E329 IonicContact NH2-OE2 3.68Å; Y289-E329 HydrophobicContact CD2-CB 3.48Å; Y289-E329 VanDerWaalsContact CD2-CB 3.48Å; Y289-E329 HydrophobicContact CD2-CG 3.81Å; Y289-E329 HydrophobicContact CE2-CB 3.89Å; Y289-E329 HydrophobicContact CE2-CG 4.49Å; Y289-E329 HydrophobicContact CG-CB 4.2Å; Y289-E329 HydrophobicContact CG-CG 3.99Å; E329-W331 WeakPolarHBondContact OE1-CZ2 3.39Å; E329-W331 PolarHBondContact OE1-NE1 2.95Å; E329-S366 WeakPolarHBondContact O-CA 3.39Å; E329-E367 HydrophobicContact CB-CB 4.41Å; E329-E367 PolarHBondContact O-N 3.21Å; E329-K567 IonicContact OE2-NZ 3.76Å; E329-K567 PolarHBondContact OE2-NZ 3.03Å
330	T	98.9	Very high	90.6	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.4	-175.9	-61.1	0	0	0	0	111.2	L288 A328 V332 W364 I365 S366	L288-T330 HydrophobicContact CD1-CG2 4.43Å; L288-T330 PolarHBondContact N-O 2.66Å; L288-T330 PolarHBondContact O-N 3.35Å; A328-T330 PolarHBondContact O-N 2.94Å; A328-T330 VanDerWaalsContact O-N 3.16Å; A328-T330 PolarHBondContact O-OG1 2.86Å; T330-V332 HydrophobicContact CG2-CG2 4.38Å; T330-W364 HydrophobicContact CG2-CE3 4Å; T330-I365 CarbonylContact C-O 3.49Å; T330-I365 VanDerWaalsContact CA-O 3.25Å; T330-I365 WeakPolarHBondContact CA-O 3.38Å; T330-S366 WeakPolarHBondContact CG2-OG 3.47Å; T330-S366 PolarHBondContact OG1-OG 2.98Å
331	W	98.9	Very high	87.9	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.1	174.2	-62.6	80.3	0	0	0	109.8	C34 F39 C40 D284 P285 Y286 R287 E329 I365	C34-W331 HydrophobicContact CB-CE3 4.19Å; C34-W331 HydrophobicContact CB-CH2 4.2Å; C34-W331 HydrophobicContact CB-CZ3 4.01Å; F39-W331 AromaticContact CE2-CD1 3.7Å; F39-W331 AromaticContact CZ-CD1 3.42Å; F39-W331 VanDerWaalsContact CZ-CD1 3.42Å; F39-W331 AromaticContact CZ-NE1 3.51Å; C40-W331 HydrophobicContact CB-CD2 4.21Å; C40-W331 HydrophobicContact CB-CG 4.07Å; D284-W331 HydrophobicContact CB-CZ3 4.47Å; P285-W331 HydrophobicContact CB-CB 4.16Å; P285-W331 HydrophobicContact CB-CE3 4.02Å; P285-W331 HydrophobicContact CG-CB 4.34Å; P285-W331 HydrophobicContact CG-CE3 3.92Å; Y286-W331 CarbonylContact O-C 3.18Å; Y286-W331 VanDerWaalsContact O-CA 3.32Å; Y286-W331 WeakPolarHBondContact O-CA 3.38Å; R287-W331 HydrophobicContact CB-CD2 4.24Å; R287-W331 HydrophobicContact CB-CE3 3.8Å; R287-W331 HydrophobicContact CB-CH2 4.11Å; R287-W331 HydrophobicContact CB-CZ2 4.48Å; R287-W331 HydrophobicContact CB-CZ3 3.73Å; R287-W331 VanDerWaalsContact CD-CH2 3.41Å; R287-W331 VanDerWaalsContact CD-CZ2 3.43Å; R287-W331 HydrophobicContact CG-CD2 3.95Å; R287-W331 HydrophobicContact CG-CE3 3.98Å; R287-W331 HydrophobicContact CG-CH2 3.82Å; R287-W331 HydrophobicContact CG-CZ2 3.75Å; R287-W331 HydrophobicContact CG-CZ3 3.92Å; E329-W331 WeakPolarHBondContact OE1-CZ2 3.39Å; E329-W331 PolarHBondContact OE1-NE1 2.95Å; W331-I365 HydrophobicContact CB-CB 4.31Å; W331-I365 PolarHBondContact N-O 2.97Å; W331-I365 PolarHBondContact O-N 3.29Å
332	V	98.9	Very high	85.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	107.9	-177.8	-170.4	0	0	0	0	110	I268 P285 Y286 L288 M311 T330 I334 V362 R363 W364	I268-V332 HydrophobicContact CD1-CB 4.16Å; I268-V332 HydrophobicContact CD1-CG1 4.2Å; I268-V332 HydrophobicContact CD1-CG2 4.44Å; P285-V332 VanDerWaalsContact CB-O 3.31Å; P285-V332 WeakPolarHBondContact CB-O 3.46Å; Y286-V332 PolarHBondContact N-O 2.74Å; Y286-V332 PolarHBondContact O-N 2.87Å; L288-V332 HydrophobicContact CD1-CG2 4.32Å; M311-V332 HydrophobicContact CE-CG1 3.78Å; T330-V332 HydrophobicContact CG2-CG2 4.38Å; V332-I334 HydrophobicContact CG1-CG1 4.34Å; V332-V362 HydrophobicContact CG1-CG1 3.61Å; V332-R363 VanDerWaalsContact CA-O 3.32Å; V332-R363 WeakPolarHBondContact CA-O 3.12Å; V332-W364 HydrophobicContact CG1-CD2 4.4Å; V332-W364 HydrophobicContact CG2-CD2 4.02Å; V332-W364 HydrophobicContact CG2-CE3 3.55Å; V332-W364 HydrophobicContact CG2-CH2 4.33Å; V332-W364 HydrophobicContact CG2-CZ3 3.72Å
333	D	98.3	Very high	82.9	Confident	25 Å²	25	30.6 Å²	30.6	13%	0.134	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.4	172.5	-99.1	-40	0	0	0	109.8	R44 T280 V362 R363	R44-D333 IonicContact CZ-OD1 2.69Å; R44-D333 IonicContact CZ-OD2 3.35Å; R44-D333 IonicContact NE-OD1 3.09Å; R44-D333 PolarHBondContact NE-OD1 3.29Å; R44-D333 IonicContact NE-OD2 2.88Å; R44-D333 PolarHBondContact NE-OD2 3.3Å; R44-D333 IonicContact NH2-OD1 3.06Å; R44-D333 PolarHBondContact NH2-OD1 2.8Å; R44-D333 IonicContact NH2-OD2 3.11Å; T280-D333 WeakPolarHBondContact CB-OD1 3.42Å; T280-D333 VanDerWaalsContact OG1-CA 3.29Å; T280-D333 WeakPolarHBondContact OG1-CA 3.21Å; T280-D333 PolarHBondContact OG1-OD1 2.72Å; D333-V362 CarbonylContact O-C 3.48Å; D333-V362 VanDerWaalsContact O-CA 3.29Å; D333-V362 WeakPolarHBondContact O-CA 3.4Å; D333-R363 HydrophobicContact CB-CB 4.28Å; D333-R363 PolarHBondContact N-O 2.88Å; D333-R363 PolarHBondContact O-N 3.47Å
334	I	98.3	Very high	80.2	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.4	179.3	-55.8	176	0	0	0	108.3	V265 L277 T279 T280 Y286 M311 V332 T360 D361	V265-I334 HydrophobicContact CG2-CD1 4.19Å; V265-I334 HydrophobicContact CG2-CG2 4.14Å; L277-I334 HydrophobicContact CB-CD1 3.71Å; L277-I334 HydrophobicContact CD1-CD1 3.91Å; L277-I334 HydrophobicContact CG-CD1 4.4Å; T279-I334 CarbonylContact C-O 3.43Å; T279-I334 VanDerWaalsContact CA-O 3.26Å; T279-I334 WeakPolarHBondContact CA-O 3.4Å; T280-I334 HydrophobicContact CG2-CB 4.47Å; T280-I334 PolarHBondContact N-O 2.91Å; T280-I334 PolarHBondContact OG1-N 2.67Å; T280-I334 PolarHBondContact OG1-O 3.16Å; Y286-I334 HydrophobicContact CD2-CD1 3.94Å; Y286-I334 HydrophobicContact CE2-CD1 3.97Å; M311-I334 HydrophobicContact CE-CD1 3.89Å; M311-I334 HydrophobicContact CE-CG1 4.29Å; V332-I334 HydrophobicContact CG1-CG1 4.34Å; I334-T360 HydrophobicContact CG2-CG2 3.84Å; I334-D361 WeakPolarHBondContact CA-O 3.32Å
335	S	95.1	Very high	77.6	Confident	5 Å²	5	36.6 Å²	36.6	4%	0.035	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.3	176.1	61.8	0	0	0	0	110.7	R166 D281 D361	R166-S335 PolarHBondContact NH1-OG 2.78Å; D281-S335 WeakPolarHBondContact OD1-CB 3.14Å; S335-D361 PolarHBondContact N-O 3.33Å; S335-D361 PolarHBondContact O-N 3.02Å
336	S	87.4	Confident	74.9	Confident	66 Å²	66	44.6 Å²	44.6	46%	0.462	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.4	176.2	-177.7	0	0	0	0	110.3
337	N	76.6	Confident	72.3	Confident	72 Å²	72	51.4 Å²	51.4	39%	0.385	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	176.3	-175.2	-78.7	-37.6	0	0	0	111.2	Q359 D361	N337-Q359 CarbonylContact C-O 3.57Å; N337-Q359 PolarHBondContact N-O 3.01Å; N337-Q359 PolarHBondContact O-N 2.99Å; N337-Q359 VanDerWaalsContact O-O 3.05Å; N337-D361 PolarHBondContact ND2-OD2 2.7Å
338	T	65.5	Low	69.6	Low	26 Å²	26	56.3 Å²	56.3	16%	0.16	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.6	169.8	-36.8	0	0	0	0	108.8	G340 K341 E356 T357	T338-G340 PolarHBondContact O-N 2.72Å; T338-K341 PolarHBondContact O-N 2.52Å; T338-E356 HydrophobicContact CG2-CB 3.35Å; T338-E356 HydrophobicContact CG2-CG 3.7Å; T338-T357 CarbonylContact C-O 3.51Å; T338-T357 WeakPolarHBondContact CA-O 3.38Å; T338-T357 WeakPolarHBondContact CG2-O 3.11Å
339	A	54.4	Low	66.8	Low	22 Å²	22	60.9 Å²	60.9	18%	0.182	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-57	-21.2	-176.4	0	0	0	0	0	113.6	K341 T342 T357 Q359	A339-K341 PolarHBondContact O-N 2.84Å; A339-T342 PolarHBondContact O-OG1 3.32Å; A339-T357 PolarHBondContact N-O 2.92Å; A339-Q359 HydrophobicContact CB-CB 4.29Å
340	G	41.8	Very low	64.2	Low	38 Å²	38	70.9 Å²	70.9	39%	0.392	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-76.2	-9.2	177	0	0	0	0	0	116.7	T338	T338-G340 PolarHBondContact O-N 2.72Å
341	K	42.4	Very low	61.6	Low	170 Å²	170	76.8 Å²	76.8	74%	0.739	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-90.9	-6.2	-179.8	-75.6	-178.1	-178.5	167.4	0	114.8	T338 A339	T338-K341 PolarHBondContact O-N 2.52Å; A339-K341 PolarHBondContact O-N 2.84Å
342	T	46.4	Very low	58.7	Low	64 Å²	64	83 Å²	83	39%	0.393	43%	0.431	S	S	.	.	S	Bend	trans	-87.4	159.5	171.2	65.7	0	0	0	0	110.3	A339 F344 G345	A339-T342 PolarHBondContact O-OG1 3.32Å; T342-F344 PolarHBondContact O-N 2.72Å; T342-G345 PolarHBondContact O-N 2.86Å
343	V	46.2	Very low	55.7	Low	135 Å²	135	86.4 Å²	86.4	82%	0.818	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-24	-174.4	179.3	0	0	0	0	113.3
344	F	42.7	Very low	52.9	Low	120 Å²	120	90.4 Å²	90.4	53%	0.526	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.5	176.4	-123.3	-96.3	0	0	0	114.8	T342 K346 M347 L348	T342-F344 PolarHBondContact O-N 2.72Å; F344-K346 PolarHBondContact O-N 3.16Å; F344-M347 PolarHBondContact O-N 2.81Å; F344-M347 VanDerWaalsContact O-N 3.09Å; F344-L348 HydrophobicContact CD1-CD1 4.08Å; F344-L348 PolarHBondContact O-N 2.84Å
345	G	44.2	Very low	50.6	Low	6 Å²	6	94.7 Å²	94.7	6%	0.062	53%	0.527	C	S	.	.	H	α-helix	trans	-58.2	-34.7	174.7	0	0	0	0	0	112.2	T342 M347 L348 D349	T342-G345 PolarHBondContact O-N 2.86Å; G345-M347 VanDerWaalsContact C-N 3.29Å; G345-M347 PolarHBondContact O-N 2.84Å; G345-L348 PolarHBondContact O-N 2.94Å; G345-D349 VanDerWaalsContact O-CB 3.24Å; G345-D349 WeakPolarHBondContact O-CB 3.31Å; G345-D349 PolarHBondContact O-N 2.96Å
346	K	41.4	Very low	49	Very low	171 Å²	171	101.6 Å²	101.6	74%	0.743	56%	0.559	S	S	*	*	H	α-helix	trans	-70.5	-18.8	178.5	-68.8	-175	177.5	178.8	0	114.6	F344	F344-K346 PolarHBondContact O-N 3.16Å
347	M	43.8	Very low	48.4	Very low	149 Å²	149	101.4 Å²	101.4	73%	0.734	56%	0.555	S	S	*	*	H	α-helix	trans	-92.7	-30.6	177.8	-161.2	173.7	-177.1	0	0	112.1	F344 G345	F344-M347 PolarHBondContact O-N 2.81Å; F344-M347 VanDerWaalsContact O-N 3.09Å; G345-M347 VanDerWaalsContact C-N 3.29Å; G345-M347 PolarHBondContact O-N 2.84Å
348	L	41.8	Very low	49	Very low	103 Å²	103	99.9 Å²	99.9	54%	0.539	55%	0.549	S	S	.	.	H	α-helix	trans	-79.9	-31.8	173.5	-94.7	132.5	0	0	0	113.3	F344 G345 Y350 V351 Q352	F344-L348 HydrophobicContact CD1-CD1 4.08Å; F344-L348 PolarHBondContact O-N 2.84Å; G345-L348 PolarHBondContact O-N 2.94Å; L348-Y350 PolarHBondContact O-N 3.08Å; L348-Y350 VanDerWaalsContact O-N 3.07Å; L348-V351 PolarHBondContact O-N 3.38Å; L348-Q352 PolarHBondContact O-N 2.87Å
349	D	42	Very low	50.3	Low	96 Å²	96	99.2 Å²	99.2	51%	0.513	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.8	177.4	-86.9	-17.7	0	0	0	113.9	G345 V351	G345-D349 VanDerWaalsContact O-CB 3.24Å; G345-D349 WeakPolarHBondContact O-CB 3.31Å; G345-D349 PolarHBondContact O-N 2.96Å; D349-V351 VanDerWaalsContact C-N 3.34Å
350	Y	42.6	Very low	52.3	Low	210 Å²	210	98.4 Å²	98.4	82%	0.824	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.7	-178.4	-127.1	-88.9	0	0	0	113.8	L348	L348-Y350 PolarHBondContact O-N 3.08Å; L348-Y350 VanDerWaalsContact O-N 3.07Å
351	V	44.8	Very low	55	Low	126 Å²	126	96.8 Å²	96.8	76%	0.764	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	-23.7	-172.8	-172.9	0	0	0	0	113.8	L348 D349	L348-V351 PolarHBondContact O-N 3.38Å; D349-V351 VanDerWaalsContact C-N 3.34Å
352	Q	38.3	Very low	57.7	Low	133 Å²	133	88.7 Å²	88.7	62%	0.621	48%	0.484	S	S	*	.	S	Bend	trans	-136.8	121.8	179	-70.5	-178.4	-27.9	0	0	110.1	L348	L348-Q352 PolarHBondContact O-N 2.87Å
353	G	36.2	Very low	60.2	Low	73 Å²	73	86.2 Å²	86.2	75%	0.753	47%	0.468	S	S	*	.			trans	-49.9	141.8	-175.9	0	0	0	0	0	113.2	S355	G353-S355 PolarHBondContact O-N 3.24Å
354	S	40.2	Very low	62.7	Low	109 Å²	109	79.8 Å²	79.8	76%	0.762	43%	0.429	S	S	*	.			trans	-43.3	103.7	-178.7	56.2	0	0	0	0	114
355	S	48.2	Very low	65.3	Low	95 Å²	95	74.1 Å²	74.1	66%	0.664	40%	0.404	S	S	*	.			trans	-119.5	113.1	151.5	67.1	0	0	0	0	107.5	G353 T357	G353-S355 PolarHBondContact O-N 3.24Å; S355-T357 PolarHBondContact O-N 2.87Å
356	E	61.9	Low	68	Low	150 Å²	150	73.8 Å²	73.8	70%	0.701	40%	0.401	S	S	*	.			trans	-58.5	101.1	174.1	-80.1	-164.9	179.2	0	0	110.1	T338	T338-E356 HydrophobicContact CG2-CB 3.35Å; T338-E356 HydrophobicContact CG2-CG 3.7Å
357	T	76.2	Confident	70.7	Confident	61 Å²	61	66 Å²	66	37%	0.374	37%	0.367	S	S	.	.			trans	-77	124.7	175.6	-48.4	0	0	0	0	109.2	T338 A339 S355	T338-T357 CarbonylContact C-O 3.51Å; T338-T357 WeakPolarHBondContact CA-O 3.38Å; T338-T357 WeakPolarHBondContact CG2-O 3.11Å; A339-T357 PolarHBondContact N-O 2.92Å; S355-T357 PolarHBondContact O-N 2.87Å
358	P	87.8	Confident	73.3	Confident	40 Å²	40	59 Å²	59	26%	0.26	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	152.7	175.9	25.4	-32.7	0	0	0	110.8	G261 E263	G261-P358 VanDerWaalsContact CA-O 3.3Å; G261-P358 WeakPolarHBondContact CA-O 3.33Å; G261-P358 PolarHBondContact N-O 2.93Å; E263-P358 HydrophobicContact CG-CB 3.4Å; E263-P358 HydrophobicContact CG-CG 3.83Å; E263-P358 WeakPolarHBondContact OE1-CB 3.46Å
359	Q	93.4	Very high	76	Confident	12 Å²	12	54.2 Å²	54.2	6%	0.056	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	127.9	178	178.9	177.9	-61.1	0	0	109.7	S258 L259 V262 N337 A339 D361	S258-Q359 PolarHBondContact OG-NE2 2.96Å; L259-Q359 WeakPolarHBondContact O-CA 3.46Å; V262-Q359 CarbonylContact O-C 3.5Å; N337-Q359 CarbonylContact C-O 3.57Å; N337-Q359 PolarHBondContact N-O 3.01Å; N337-Q359 PolarHBondContact O-N 2.99Å; N337-Q359 VanDerWaalsContact O-O 3.05Å; A339-Q359 HydrophobicContact CB-CB 4.29Å; Q359-D361 PolarHBondContact NE2-OD1 3.45Å; Q359-D361 PolarHBondContact NE2-OD2 3.48Å
360	T	96.9	Very high	78.7	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.2	166.2	-62	0	0	0	0	109	L259 V262 V265 I334 V362	L259-T360 WeakPolarHBondContact CB-O 3.46Å; L259-T360 PolarHBondContact N-O 2.94Å; L259-T360 PolarHBondContact O-N 3.31Å; V262-T360 PolarHBondContact O-N 2.75Å; V262-T360 PolarHBondContact O-OG1 2.7Å; V262-T360 VanDerWaalsContact O-OG1 3.12Å; V265-T360 HydrophobicContact CG1-CG2 4.02Å; V265-T360 HydrophobicContact CG2-CG2 4.18Å; I334-T360 HydrophobicContact CG2-CG2 3.84Å; T360-V362 HydrophobicContact CG2-CG2 3.96Å
361	D	97.9	Very high	81.4	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.6	169.3	-61.2	-50.1	0	0	0	109.7	R166 F257 S258 I334 S335 N337 Q359	R166-D361 IonicContact NH1-OD2 3.66Å; F257-D361 CarbonylContact O-C 3.54Å; F257-D361 VanDerWaalsContact O-CA 3.31Å; F257-D361 WeakPolarHBondContact O-CA 3.26Å; S258-D361 WeakPolarHBondContact CA-OD1 3.36Å; S258-D361 WeakPolarHBondContact CB-OD1 3.48Å; S258-D361 PolarHBondContact OG-OD1 3.34Å; I334-D361 WeakPolarHBondContact CA-O 3.32Å; S335-D361 PolarHBondContact N-O 3.33Å; S335-D361 PolarHBondContact O-N 3.02Å; N337-D361 PolarHBondContact ND2-OD2 2.7Å; Q359-D361 PolarHBondContact NE2-OD1 3.45Å; Q359-D361 PolarHBondContact NE2-OD2 3.48Å
362	V	98.4	Very high	84	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.1	-178.1	-175.7	0	0	0	0	108.6	D256 F257 L259 M311 V332 D333 T360	D256-V362 CarbonylContact C-O 3.49Å; D256-V362 WeakPolarHBondContact CA-O 3.15Å; F257-V362 PolarHBondContact N-O 2.8Å; F257-V362 PolarHBondContact O-N 3.33Å; L259-V362 HydrophobicContact CD1-CG2 4.17Å; M311-V362 HydrophobicContact CE-CG1 3.65Å; M311-V362 HydrophobicContact CE-CG2 4.32Å; M311-V362 HydrophobicContact SD-CB 4.26Å; M311-V362 HydrophobicContact SD-CG1 3.77Å; M311-V362 HydrophobicContact SD-CG2 3.6Å; M311-V362 VanDerWaalsContact SD-CG2 3.6Å; V332-V362 HydrophobicContact CG1-CG1 3.61Å; D333-V362 CarbonylContact O-C 3.48Å; D333-V362 VanDerWaalsContact O-CA 3.29Å; D333-V362 WeakPolarHBondContact O-CA 3.4Å; T360-V362 HydrophobicContact CG2-CG2 3.96Å
363	R	98.6	Very high	86.8	Confident	12 Å²	12	27.6 Å²	27.6	5%	0.045	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.6	176.1	-174.1	-175.1	-174.9	-169	-2.4	110.7	Q43 M46 L168 S254 L255 D256 V332 D333 I365	Q43-R363 PolarHBondContact O-NH1 2.9Å; Q43-R363 PolarHBondContact O-NH2 2.89Å; M46-R363 PolarHBondContact SD-NH2 3.1Å; M46-R363 VanDerWaalsContact SD-NH2 3.4Å; L168-R363 PolarHBondContact O-NH2 2.79Å; S254-R363 PolarHBondContact OG-NH2 3.39Å; S254-R363 VanDerWaalsContact OG-NH2 3.1Å; L255-R363 WeakPolarHBondContact O-CA 3.44Å; D256-R363 HydrophobicContact CB-CB 4.42Å; D256-R363 HydrophobicContact CB-CG 4.42Å; V332-R363 VanDerWaalsContact CA-O 3.32Å; V332-R363 WeakPolarHBondContact CA-O 3.12Å; D333-R363 HydrophobicContact CB-CB 4.28Å; D333-R363 PolarHBondContact N-O 2.88Å; D333-R363 PolarHBondContact O-N 3.47Å; R363-I365 HydrophobicContact CG-CG1 4.16Å
364	W	98.9	Very high	89.8	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.2	176.3	-61.3	75.3	0	0	0	109.5	S254 L255 F257 I268 L288 P309 M311 I322 W324 T330 V332	S254-W364 CarbonylContact C-O 3.51Å; S254-W364 WeakPolarHBondContact CA-O 3.33Å; S254-W364 WeakPolarHBondContact CB-O 3.43Å; L255-W364 PolarHBondContact N-O 3.29Å; L255-W364 PolarHBondContact O-N 3.12Å; F257-W364 AromaticContact CD2-CD1 3.56Å; F257-W364 AromaticContact CD2-NE1 3.96Å; F257-W364 AromaticContact CE2-CD1 3.42Å; F257-W364 VanDerWaalsContact CE2-CD1 3.42Å; F257-W364 HydrophobicContact CE2-CG 4.29Å; F257-W364 AromaticContact CE2-NE1 3.99Å; I268-W364 HydrophobicContact CG2-CH2 3.37Å; I268-W364 HydrophobicContact CG2-CZ2 4.14Å; I268-W364 HydrophobicContact CG2-CZ3 4Å; L288-W364 HydrophobicContact CD1-CZ3 4.12Å; P309-W364 HydrophobicContact CB-CH2 4.4Å; P309-W364 HydrophobicContact CB-CZ3 3.77Å; M311-W364 HydrophobicContact CB-CH2 4.34Å; M311-W364 HydrophobicContact CB-CZ2 3.81Å; M311-W364 HydrophobicContact CE-CZ2 4.33Å; I322-W364 HydrophobicContact CG2-CZ2 4.3Å; W324-W364 HydrophobicContact CB-CD2 3.81Å; W324-W364 HydrophobicContact CB-CE3 3.51Å; W324-W364 HydrophobicContact CB-CG 4.46Å; W324-W364 HydrophobicContact CB-CH2 4.16Å; W324-W364 HydrophobicContact CB-CZ2 4.44Å; W324-W364 HydrophobicContact CB-CZ3 3.71Å; W324-W364 AromaticContact CD1-CE3 3.79Å; W324-W364 HydrophobicContact CD2-CB 3.8Å; W324-W364 HydrophobicContact CD2-CD2 4.3Å; W324-W364 HydrophobicContact CD2-CE3 4.36Å; W324-W364 HydrophobicContact CD2-CG 4.09Å; W324-W364 HydrophobicContact CE3-CB 3.95Å; W324-W364 HydrophobicContact CE3-CG 4.15Å; W324-W364 HydrophobicContact CG-CB 4.26Å; W324-W364 AromaticContact CG-CD2 3.94Å; W324-W364 HydrophobicContact CG-CD2 3.94Å; W324-W364 AromaticContact CG-CE3 3.61Å; W324-W364 HydrophobicContact CG-CE3 3.61Å; W324-W364 HydrophobicContact CG-CG 4.24Å; W324-W364 HydrophobicContact CG-CZ3 4.24Å; W324-W364 HydrophobicContact CH2-CB 4.29Å; W324-W364 HydrophobicContact CZ2-CB 4.17Å; W324-W364 HydrophobicContact CZ3-CB 4.19Å; T330-W364 HydrophobicContact CG2-CE3 4Å; V332-W364 HydrophobicContact CG1-CD2 4.4Å; V332-W364 HydrophobicContact CG2-CD2 4.02Å; V332-W364 HydrophobicContact CG2-CE3 3.55Å; V332-W364 HydrophobicContact CG2-CH2 4.33Å; V332-W364 HydrophobicContact CG2-CZ3 3.72Å
365	I	98.9	Very high	92.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	107.5	-177	-53	172.6	0	0	0	108.4	F39 Q43 V253 T330 W331 R363	F39-I365 HydrophobicContact CD2-CG2 3.98Å; F39-I365 HydrophobicContact CE2-CG2 3.98Å; Q43-I365 HydrophobicContact CB-CD1 4.02Å; Q43-I365 HydrophobicContact CB-CG1 4.32Å; Q43-I365 HydrophobicContact CB-CG2 3.47Å; Q43-I365 VanDerWaalsContact CB-CG2 3.47Å; Q43-I365 HydrophobicContact CG-CG2 3.61Å; V253-I365 WeakPolarHBondContact O-CA 3.31Å; T330-I365 CarbonylContact C-O 3.49Å; T330-I365 VanDerWaalsContact CA-O 3.25Å; T330-I365 WeakPolarHBondContact CA-O 3.38Å; W331-I365 HydrophobicContact CB-CB 4.31Å; W331-I365 PolarHBondContact N-O 2.97Å; W331-I365 PolarHBondContact O-N 3.29Å; R363-I365 HydrophobicContact CG-CG1 4.16Å
366	S	98.9	Very high	95	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.2	177.6	-58.6	0	0	0	0	111.6	A252 V253 W324 N326 E329 T330 S368	A252-S366 CarbonylContact C-O 3.55Å; A252-S366 WeakPolarHBondContact CA-O 3.5Å; A252-S366 VanDerWaalsContact CB-O 3.26Å; A252-S366 WeakPolarHBondContact CB-O 3.49Å; V253-S366 PolarHBondContact N-O 2.88Å; V253-S366 PolarHBondContact O-N 2.89Å; W324-S366 PolarHBondContact NE1-OG 3.38Å; N326-S366 VanDerWaalsContact CG-CB 3.5Å; E329-S366 WeakPolarHBondContact O-CA 3.39Å; T330-S366 WeakPolarHBondContact CG2-OG 3.47Å; T330-S366 PolarHBondContact OG1-OG 2.98Å; S366-S368 PolarHBondContact O-N 3.12Å
367	E	98.8	Very high	96.7	Very high	6 Å²	6	7.2 Å²	7.2	3%	0.028	4%	0.043	C	C	.	.	S	Bend	trans	-65.7	-34.4	-176.2	-174.1	173.3	-153.8	0	0	114.3	F39 S251 A252 A328 E329 K567 R577	F39-E367 HydrophobicContact CD1-CB 3.85Å; F39-E367 HydrophobicContact CD1-CG 3.69Å; F39-E367 HydrophobicContact CD2-CB 4.19Å; F39-E367 HydrophobicContact CE1-CB 3.63Å; F39-E367 HydrophobicContact CE1-CG 3.88Å; F39-E367 HydrophobicContact CE2-CB 4Å; F39-E367 HydrophobicContact CG-CB 4.12Å; F39-E367 HydrophobicContact CG-CG 4.1Å; F39-E367 HydrophobicContact CZ-CB 3.71Å; F39-E367 HydrophobicContact CZ-CG 4.45Å; S251-E367 CarbonylContact C-O 3.55Å; S251-E367 PolarHBondContact OG-O 3.14Å; A252-E367 WeakPolarHBondContact CA-O 3.37Å; A252-E367 PolarHBondContact N-O 3.4Å; A252-E367 VanDerWaalsContact N-O 3.15Å; A328-E367 HydrophobicContact CB-CB 4.25Å; E329-E367 HydrophobicContact CB-CB 4.41Å; E329-E367 PolarHBondContact O-N 3.21Å; E367-K567 WeakPolarHBondContact OE1-CD 3.45Å; E367-K567 IonicContact OE1-NZ 3.04Å; E367-K567 PolarHBondContact OE1-NZ 3.33Å; E367-K567 WeakPolarHBondContact OE2-CE 3.42Å; E367-K567 IonicContact OE2-NZ 3.33Å; E367-K567 PolarHBondContact OE2-NZ 3.44Å; E367-R577 IonicContact OE1-CZ 2.77Å; E367-R577 IonicContact OE1-NH1 3.23Å; E367-R577 PolarHBondContact OE1-NH1 3.34Å
368	S	98.7	Very high	97.6	Very high	3 Å²	3	4.4 Å²	4.4	2%	0.021	3%	0.026	C	C	.	.	S	Bend	trans	-150.9	-166	-177.2	75.2	0	0	0	0	111.4	N326 S366 D578	N326-S368 PolarHBondContact ND2-O 2.98Å; S366-S368 PolarHBondContact O-N 3.12Å; S368-D578 WeakPolarHBondContact CB-OD1 3.34Å; S368-D578 PolarHBondContact OG-OD1 3.45Å
369	G	98.4	Very high	98	Very high	3 Å²	3	5.2 Å²	5.2	3%	0.031	3%	0.031	C	C	.	.	S	Bend	trans	75.3	-162.4	-176.2	0	0	0	0	0	113.4	R105 Y106	R105-G369 WeakPolarHBondContact CD-O 3.33Å; R105-G369 PolarHBondContact NH1-O 2.87Å; Y106-G369 VanDerWaalsContact O-CA 3.28Å; Y106-G369 WeakPolarHBondContact O-CA 3.41Å
370	I	98.8	Very high	98.2	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.01	5%	0.046	C	C	.	.			trans	-103.5	169.5	176.3	67.6	162	0	0	0	111.1	K95 N97 R105 Y106 E107 N326 D372	K95-I370 VanDerWaalsContact CE-CD1 3.43Å; N97-I370 HydrophobicContact CB-CG2 4.05Å; N97-I370 VanDerWaalsContact CG-CG2 3.41Å; N97-I370 WeakPolarHBondContact OD1-CG2 3.24Å; R105-I370 HydrophobicContact CB-CG2 3.6Å; Y106-I370 PolarHBondContact O-N 3.44Å; E107-I370 HydrophobicContact CG-CD1 3.68Å; E107-I370 HydrophobicContact CG-CG1 4.05Å; E107-I370 HydrophobicContact CG-CG2 4.22Å; N326-I370 PolarHBondContact ND2-O 3.46Å; N326-I370 VanDerWaalsContact ND2-O 3.14Å; I370-D372 HydrophobicContact CD1-CB 3.9Å; I370-D372 HydrophobicContact CG1-CB 4.07Å
371	I	98.9	Very high	98.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115.2	160.3	-60.8	-179	0	0	0	106.3	K95 I96 L169 F171 V253 L255 W324	K95-I371 CarbonylContact C-O 3.48Å; K95-I371 VanDerWaalsContact CA-O 3.22Å; K95-I371 WeakPolarHBondContact CA-O 3.22Å; I96-I371 HydrophobicContact CB-CB 3.97Å; I96-I371 HydrophobicContact CB-CD1 4.27Å; I96-I371 HydrophobicContact CB-CG1 4.48Å; I96-I371 HydrophobicContact CB-CG2 4.45Å; I96-I371 HydrophobicContact CD1-CD1 4.22Å; I96-I371 HydrophobicContact CD1-CG2 4.5Å; I96-I371 HydrophobicContact CG1-CB 4.49Å; I96-I371 HydrophobicContact CG1-CG2 4.43Å; I96-I371 PolarHBondContact N-O 3.42Å; I96-I371 PolarHBondContact O-N 2.87Å; I96-I371 VanDerWaalsContact O-N 3.17Å; L169-I371 HydrophobicContact CD1-CD1 3.51Å; F171-I371 HydrophobicContact CD2-CD1 4.34Å; V253-I371 HydrophobicContact CB-CD1 4.32Å; V253-I371 HydrophobicContact CB-CG1 3.75Å; V253-I371 HydrophobicContact CG1-CG1 4.28Å; V253-I371 HydrophobicContact CG2-CG1 4.16Å; L255-I371 HydrophobicContact CB-CD1 4.39Å; L255-I371 HydrophobicContact CD2-CG2 4.11Å; W324-I371 HydrophobicContact CH2-CB 4.13Å; W324-I371 HydrophobicContact CH2-CD1 4.36Å; W324-I371 HydrophobicContact CH2-CG1 3.8Å; W324-I371 HydrophobicContact CH2-CG2 3.79Å; W324-I371 HydrophobicContact CZ2-CG1 4.44Å; W324-I371 HydrophobicContact CZ3-CG2 3.74Å
372	D	98.9	Very high	98.3	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.016	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	109.6	171.3	-170	-2.4	0	0	0	107.8	R93 K95 L325 I370	R93-D372 IonicContact CZ-OD1 2.85Å; R93-D372 IonicContact CZ-OD2 2.84Å; R93-D372 IonicContact NE-OD1 3.87Å; R93-D372 PolarHBondContact NE-OD1 2.91Å; R93-D372 IonicContact NE-OD2 3.41Å; R93-D372 IonicContact NH2-OD1 2.71Å; R93-D372 IonicContact NH2-OD2 2.81Å; R93-D372 PolarHBondContact NH2-OD2 3.49Å; K95-D372 HydrophobicContact CG-CB 4.45Å; L325-D372 HydrophobicContact CB-CB 4.32Å; L325-D372 PolarHBondContact N-O 2.81Å; I370-D372 HydrophobicContact CD1-CB 3.9Å; I370-D372 HydrophobicContact CG1-CB 4.07Å
373	V	98.9	Very high	98.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.2	-173.9	63.1	0	0	0	0	111.4	R93 V94 F257 I322 F323 W324 L375	R93-V373 CarbonylContact C-O 3.59Å; R93-V373 VanDerWaalsContact CA-O 3.32Å; R93-V373 WeakPolarHBondContact CA-O 3.43Å; V94-V373 HydrophobicContact CB-CG1 3.75Å; V94-V373 HydrophobicContact CG2-CG1 4.47Å; V94-V373 PolarHBondContact N-O 2.64Å; V94-V373 PolarHBondContact O-N 2.61Å; F257-V373 HydrophobicContact CE1-CG1 4.38Å; F257-V373 HydrophobicContact CE1-CG2 4.07Å; F257-V373 HydrophobicContact CZ-CB 4.38Å; F257-V373 HydrophobicContact CZ-CG1 4.19Å; F257-V373 HydrophobicContact CZ-CG2 3.84Å; I322-V373 HydrophobicContact CG2-CG2 3.61Å; F323-V373 WeakPolarHBondContact O-CA 3.33Å; W324-V373 HydrophobicContact CE3-CB 4.09Å; W324-V373 HydrophobicContact CE3-CG2 4.36Å; V373-L375 HydrophobicContact CG1-CD2 4.49Å; V373-L375 HydrophobicContact CG2-CD2 3.86Å
374	F	98.9	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.1	172.2	-59.3	-100.6	0	0	0	109.6	L87 I91 T92 R93 L112 P116 F323 L325 L391	L87-F374 HydrophobicContact CD1-CD1 3.77Å; L87-F374 HydrophobicContact CD1-CE1 3.71Å; I91-F374 HydrophobicContact CG2-CB 4.17Å; I91-F374 HydrophobicContact CG2-CD1 4.12Å; T92-F374 CarbonylContact O-C 3.45Å; T92-F374 WeakPolarHBondContact O-CA 3.35Å; R93-F374 HydrophobicContact CB-CD1 3.99Å; R93-F374 HydrophobicContact CB-CE1 4.05Å; R93-F374 VanDerWaalsContact CD-CE1 3.46Å; R93-F374 HydrophobicContact CG-CD1 3.92Å; R93-F374 HydrophobicContact CG-CE1 3.68Å; R93-F374 HydrophobicContact CG-CE2 4.36Å; R93-F374 HydrophobicContact CG-CG 4.37Å; R93-F374 HydrophobicContact CG-CZ 3.92Å; L112-F374 HydrophobicContact CD1-CE2 4.47Å; L112-F374 HydrophobicContact CD1-CZ 3.82Å; L112-F374 HydrophobicContact CD2-CE2 4.18Å; L112-F374 HydrophobicContact CD2-CZ 3.88Å; L112-F374 HydrophobicContact CG-CZ 4.48Å; P116-F374 HydrophobicContact CG-CE1 4.06Å; F323-F374 HydrophobicContact CB-CB 4.19Å; F323-F374 HydrophobicContact CD1-CB 4.33Å; F323-F374 AromaticContact CD1-CD2 3.62Å; F323-F374 HydrophobicContact CD1-CD2 3.62Å; F323-F374 HydrophobicContact CD1-CE2 4.26Å; F323-F374 HydrophobicContact CD1-CG 4.18Å; F323-F374 HydrophobicContact CE1-CD2 4.16Å; F323-F374 HydrophobicContact CE1-CE2 4.36Å; F323-F374 HydrophobicContact CG-CD2 4.37Å; F323-F374 PolarHBondContact N-O 3.03Å; F323-F374 PolarHBondContact O-N 2.75Å; L325-F374 HydrophobicContact CB-CE2 4.17Å; L325-F374 HydrophobicContact CD2-CE2 3.88Å; F374-L391 HydrophobicContact CB-CD1 3.88Å; F374-L391 HydrophobicContact CD1-CD1 3.64Å; F374-L391 HydrophobicContact CD1-CD2 3.9Å; F374-L391 HydrophobicContact CD1-CG 4.44Å; F374-L391 HydrophobicContact CD2-CD1 4.43Å; F374-L391 HydrophobicContact CE1-CD1 4.26Å; F374-L391 HydrophobicContact CE1-CD2 3.84Å; F374-L391 HydrophobicContact CG-CD1 3.73Å
375	L	98.7	Very high	98.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.6	176	-45.7	-179	0	0	0	107.9	I91 T92 V94 I153 M161 L163 F257 V373 L377	I91-L375 VanDerWaalsContact CA-O 3.3Å; I91-L375 WeakPolarHBondContact CA-O 3.36Å; T92-L375 HydrophobicContact CG2-CD1 4.45Å; T92-L375 PolarHBondContact N-O 2.96Å; T92-L375 PolarHBondContact O-N 3.08Å; V94-L375 HydrophobicContact CG2-CD1 4.48Å; I153-L375 HydrophobicContact CD1-CD1 4.15Å; I153-L375 HydrophobicContact CG1-CD1 3.96Å; M161-L375 HydrophobicContact CE-CD2 4.46Å; M161-L375 HydrophobicContact SD-CD1 4.15Å; M161-L375 HydrophobicContact SD-CD2 3.7Å; M161-L375 HydrophobicContact SD-CG 4.37Å; L163-L375 HydrophobicContact CD1-CD1 3.88Å; L163-L375 HydrophobicContact CD2-CD1 4.29Å; F257-L375 HydrophobicContact CD1-CD2 4.43Å; F257-L375 HydrophobicContact CE1-CD2 3.92Å; V373-L375 HydrophobicContact CG1-CD2 4.49Å; V373-L375 HydrophobicContact CG2-CD2 3.86Å; L375-L377 HydrophobicContact CB-CD2 4.17Å
376	M	98.6	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	103.9	-177.9	-63.2	179.8	-63.6	0	0	107.9	I91 V310 M320 G321 F323 G378 V384 Q387 Y388	I91-M376 HydrophobicContact CG1-CG 4.47Å; V310-M376 HydrophobicContact CG1-CE 4.08Å; M320-M376 CarbonylContact C-O 3.45Å; M320-M376 WeakPolarHBondContact CA-O 3.44Å; M320-M376 WeakPolarHBondContact CB-O 3.5Å; G321-M376 PolarHBondContact N-O 3.34Å; G321-M376 PolarHBondContact O-N 2.89Å; F323-M376 HydrophobicContact CB-CE 4.26Å; M376-G378 VanDerWaalsContact C-N 3.31Å; M376-G378 PolarHBondContact O-N 2.82Å; M376-V384 HydrophobicContact CB-CG1 4.27Å; M376-V384 HydrophobicContact CE-CG1 4.13Å; M376-Q387 HydrophobicContact CB-CB 4.14Å; M376-Q387 VanDerWaalsContact CB-OE1 3.31Å; M376-Q387 HydrophobicContact CG-CB 4.03Å; M376-Q387 HydrophobicContact SD-CB 4.13Å; M376-Y388 HydrophobicContact CE-CD2 4.35Å; M376-Y388 VanDerWaalsContact SD-CA 3.58Å; M376-Y388 VanDerWaalsContact SD-CB 3.56Å; M376-Y388 HydrophobicContact SD-CD2 4.16Å; M376-Y388 HydrophobicContact SD-CG 4.34Å
377	L	96.9	Very high	98.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.			trans	-89.3	6.2	-163.5	-56.9	178.4	0	0	0	113.9	N90 I153 R318 L375	N90-L377 WeakPolarHBondContact ND2-CB 3.08Å; N90-L377 PolarHBondContact O-N 3.22Å; N90-L377 VanDerWaalsContact O-N 3.16Å; I153-L377 HydrophobicContact CG2-CD1 3.81Å; I153-L377 HydrophobicContact CG2-CD2 4.01Å; R318-L377 PolarHBondContact NH1-O 2.86Å; L375-L377 HydrophobicContact CB-CD2 4.17Å
378	G	96.2	Very high	98.3	Very high	2 Å²	2	18 Å²	18	2%	0.021	10%	0.099	C	C	.	.			trans	63.1	-134.4	179.4	0	0	0	0	0	113.1	N90 T319 M376 Q387	N90-G378 PolarHBondContact ND2-O 2.88Å; T319-G378 WeakPolarHBondContact O-CA 3.4Å; M376-G378 VanDerWaalsContact C-N 3.31Å; M376-G378 PolarHBondContact O-N 2.82Å; G378-Q387 PolarHBondContact O-NE2 2.84Å
379	P	95.8	Very high	98.3	Very high	57 Å²	57	18.3 Å²	18.3	37%	0.37	10%	0.102	S	C	.	.	S	Bend	cis	-94.3	-13.1	22.9	34.7	-37.5	0	0	0	116.5	R318 T319 D383	R318-P379 WeakPolarHBondContact CA-O 3.37Å; R318-P379 HydrophobicContact CG-CB 4.13Å; T319-P379 PolarHBondContact N-O 3.39Å; P379-D383 VanDerWaalsContact CD-OD2 3.32Å; P379-D383 WeakPolarHBondContact CD-OD2 3.48Å
380	T	98.1	Very high	98.3	Very high	60 Å²	60	20.8 Å²	20.8	37%	0.368	12%	0.119	S	C	.	.	S	Bend	trans	-95.9	162.5	-178.7	72.6	0	0	0	0	112	R382 D383 V384	T380-R382 PolarHBondContact O-N 3.43Å; T380-D383 VanDerWaalsContact CB-OD2 3.32Å; T380-D383 WeakPolarHBondContact CB-OD2 3.34Å; T380-D383 WeakPolarHBondContact CG2-OD2 3.49Å; T380-D383 PolarHBondContact N-OD2 3.02Å; T380-D383 PolarHBondContact O-N 3.07Å; T380-D383 PolarHBondContact OG1-N 3.17Å; T380-D383 PolarHBondContact OG1-OD2 2.98Å; T380-V384 PolarHBondContact O-N 3.13Å
381	P	98.4	Very high	98.3	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-53.4	-42.6	172.2	-23.3	31.3	0	0	0	112.7	T319 D383 V384 F385 W738 V739 P742	T319-P381 WeakPolarHBondContact OG1-CG 3.27Å; P381-D383 PolarHBondContact O-N 3.36Å; P381-V384 PolarHBondContact O-N 2.94Å; P381-F385 HydrophobicContact CB-CE2 4.02Å; P381-F385 HydrophobicContact CB-CZ 4.29Å; P381-F385 WeakPolarHBondContact O-CD2 3.44Å; P381-F385 VanDerWaalsContact O-CG 3.3Å; P381-F385 WeakPolarHBondContact O-CG 3.32Å; P381-F385 PolarHBondContact O-N 3.16Å; P381-W738 HydrophobicContact CB-CZ3 3.94Å; P381-W738 HydrophobicContact CG-CE3 4.25Å; P381-W738 HydrophobicContact CG-CZ3 3.82Å; P381-V739 HydrophobicContact CB-CG1 4.3Å; P381-P742 HydrophobicContact CG-CB 4.03Å
382	R	97.9	Very high	98.3	Very high	97 Å²	97	20.9 Å²	20.9	37%	0.366	12%	0.119	S	C	.	.	H	α-helix	trans	-62.3	-41.3	179.4	-64.1	-179.4	-175.9	-142.4	6.3	112.3	T380 V384 F385 S386 E731 E740	T380-R382 PolarHBondContact O-N 3.43Å; R382-V384 VanDerWaalsContact C-N 3.32Å; R382-V384 PolarHBondContact O-N 3.32Å; R382-F385 PolarHBondContact O-N 3.47Å; R382-S386 PolarHBondContact O-N 3.04Å; R382-S386 PolarHBondContact O-OG 3.44Å; R382-E731 VanDerWaalsContact CD-OE1 3.31Å; R382-E731 WeakPolarHBondContact CD-OE1 3.48Å; R382-E731 HydrophobicContact CG-CG 4.47Å; R382-E731 IonicContact CZ-OE1 2.76Å; R382-E731 IonicContact CZ-OE2 3.34Å; R382-E731 IonicContact NE-OE1 3.38Å; R382-E731 IonicContact NH1-OE1 2.97Å; R382-E731 PolarHBondContact NH1-OE1 3.45Å; R382-E731 VanDerWaalsContact NH1-OE1 3.16Å; R382-E731 IonicContact NH1-OE2 3.5Å; R382-E740 IonicContact NH2-OE1 3.71Å; R382-E740 IonicContact NH2-OE2 2.64Å; R382-E740 PolarHBondContact NH2-OE2 3.08Å; R382-E740 VanDerWaalsContact NH2-OE2 3.09Å
383	D	98.4	Very high	98.3	Very high	61 Å²	61	21.1 Å²	21.1	33%	0.326	12%	0.123	S	C	.	.	H	α-helix	trans	-60.5	-43.5	176.3	-60.4	-46.5	0	0	0	111.2	P379 T380 P381 F385 S386 Q387	P379-D383 VanDerWaalsContact CD-OD2 3.32Å; P379-D383 WeakPolarHBondContact CD-OD2 3.48Å; T380-D383 VanDerWaalsContact CB-OD2 3.32Å; T380-D383 WeakPolarHBondContact CB-OD2 3.34Å; T380-D383 WeakPolarHBondContact CG2-OD2 3.49Å; T380-D383 PolarHBondContact N-OD2 3.02Å; T380-D383 PolarHBondContact O-N 3.07Å; T380-D383 PolarHBondContact OG1-N 3.17Å; T380-D383 PolarHBondContact OG1-OD2 2.98Å; P381-D383 PolarHBondContact O-N 3.36Å; D383-F385 PolarHBondContact O-N 3.22Å; D383-S386 PolarHBondContact O-N 2.69Å; D383-Q387 VanDerWaalsContact O-CB 3.25Å; D383-Q387 WeakPolarHBondContact O-CB 3.45Å; D383-Q387 VanDerWaalsContact O-CD 3.28Å; D383-Q387 WeakPolarHBondContact O-CG 3.44Å; D383-Q387 PolarHBondContact O-N 3.09Å
384	V	98.8	Very high	98.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-65.1	-39.8	178.6	178.2	0	0	0	0	111.5	L312 T319 M376 T380 P381 R382 Q387 Y388	L312-V384 HydrophobicContact CD2-CG1 4.22Å; L312-V384 HydrophobicContact CG-CG1 4.11Å; T319-V384 HydrophobicContact CG2-CG2 4.03Å; M376-V384 HydrophobicContact CB-CG1 4.27Å; M376-V384 HydrophobicContact CE-CG1 4.13Å; T380-V384 PolarHBondContact O-N 3.13Å; P381-V384 PolarHBondContact O-N 2.94Å; R382-V384 VanDerWaalsContact C-N 3.32Å; R382-V384 PolarHBondContact O-N 3.32Å; V384-Q387 WeakPolarHBondContact O-CB 3.41Å; V384-Q387 PolarHBondContact O-N 3.46Å; V384-Y388 WeakPolarHBondContact O-CB 3.44Å; V384-Y388 PolarHBondContact O-N 2.88Å
385	F	98.8	Very high	98.3	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-46.9	175	-57.2	-39.5	0	0	0	112	L312 P381 R382 D383 Q387 Y388 A389 L646 P732 V739	L312-F385 HydrophobicContact CD2-CD1 4.39Å; L312-F385 HydrophobicContact CD2-CE1 3.68Å; L312-F385 HydrophobicContact CD2-CZ 4.42Å; P381-F385 HydrophobicContact CB-CE2 4.02Å; P381-F385 HydrophobicContact CB-CZ 4.29Å; P381-F385 WeakPolarHBondContact O-CD2 3.44Å; P381-F385 VanDerWaalsContact O-CG 3.3Å; P381-F385 WeakPolarHBondContact O-CG 3.32Å; P381-F385 PolarHBondContact O-N 3.16Å; R382-F385 PolarHBondContact O-N 3.47Å; D383-F385 PolarHBondContact O-N 3.22Å; F385-Q387 VanDerWaalsContact C-N 3.34Å; F385-Q387 PolarHBondContact O-N 2.8Å; F385-Y388 PolarHBondContact O-N 2.76Å; F385-A389 VanDerWaalsContact O-CB 3.26Å; F385-A389 WeakPolarHBondContact O-CB 3.24Å; F385-A389 PolarHBondContact O-N 3.14Å; F385-L646 HydrophobicContact CE1-CD2 3.92Å; F385-L646 WeakPolarHBondContact CE1-O 3.39Å; F385-L646 HydrophobicContact CZ-CD2 3.74Å; F385-P732 HydrophobicContact CD2-CG 4.38Å; F385-P732 HydrophobicContact CE1-CG 4.49Å; F385-P732 HydrophobicContact CE2-CG 3.87Å; F385-P732 HydrophobicContact CZ-CG 3.95Å; F385-V739 HydrophobicContact CE2-CG1 3.74Å; F385-V739 HydrophobicContact CE2-CG2 4.35Å; F385-V739 HydrophobicContact CZ-CG1 4.24Å; F385-V739 HydrophobicContact CZ-CG2 4.01Å
386	S	98.5	Very high	98.3	Very high	57 Å²	57	24.1 Å²	24.1	40%	0.399	14%	0.143	S	C	.	.	H	α-helix	trans	-65.9	-36.5	177.2	-64.8	0	0	0	0	112.4	R382 D383 A389 S390 T729	R382-S386 PolarHBondContact O-N 3.04Å; R382-S386 PolarHBondContact O-OG 3.44Å; D383-S386 PolarHBondContact O-N 2.69Å; S386-A389 PolarHBondContact O-N 3.31Å; S386-S390 WeakPolarHBondContact O-CB 3.26Å; S386-S390 PolarHBondContact O-N 3.23Å; S386-T729 PolarHBondContact OG-O 2.86Å
387	Q	98.7	Very high	98.3	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-52.3	172.3	-78.2	160.6	2.6	0	0	110.7	G89 I91 M376 G378 D383 V384 F385 S390 L391	G89-Q387 VanDerWaalsContact O-CD 3.31Å; G89-Q387 WeakPolarHBondContact O-CG 3.49Å; G89-Q387 PolarHBondContact O-NE2 2.91Å; I91-Q387 HydrophobicContact CD1-CB 3.77Å; I91-Q387 HydrophobicContact CD1-CG 3.97Å; I91-Q387 HydrophobicContact CG1-CB 3.95Å; I91-Q387 HydrophobicContact CG1-CG 3.76Å; M376-Q387 HydrophobicContact CB-CB 4.14Å; M376-Q387 VanDerWaalsContact CB-OE1 3.31Å; M376-Q387 HydrophobicContact CG-CB 4.03Å; M376-Q387 HydrophobicContact SD-CB 4.13Å; G378-Q387 PolarHBondContact O-NE2 2.84Å; D383-Q387 VanDerWaalsContact O-CB 3.25Å; D383-Q387 WeakPolarHBondContact O-CB 3.45Å; D383-Q387 VanDerWaalsContact O-CD 3.28Å; D383-Q387 WeakPolarHBondContact O-CG 3.44Å; D383-Q387 PolarHBondContact O-N 3.09Å; V384-Q387 WeakPolarHBondContact O-CB 3.41Å; V384-Q387 PolarHBondContact O-N 3.46Å; F385-Q387 VanDerWaalsContact C-N 3.34Å; F385-Q387 PolarHBondContact O-N 2.8Å; Q387-S390 WeakPolarHBondContact O-CB 3.11Å; Q387-S390 PolarHBondContact O-N 3.09Å; Q387-S390 PolarHBondContact O-OG 3.11Å; Q387-L391 PolarHBondContact O-N 2.76Å
388	Y	98.9	Very high	98.4	Very high	9 Å²	9	24.7 Å²	24.7	4%	0.035	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-42.9	179.2	-178.4	-114.9	0	0	0	112.6	V310 F323 M376 V384 F385 S390 L391 T392 A614 V647	V310-Y388 HydrophobicContact CB-CE2 4.49Å; V310-Y388 HydrophobicContact CG1-CD2 4.39Å; V310-Y388 HydrophobicContact CG1-CE2 4.43Å; V310-Y388 HydrophobicContact CG2-CD2 4.03Å; V310-Y388 HydrophobicContact CG2-CE2 3.31Å; F323-Y388 HydrophobicContact CD1-CD2 4.38Å; F323-Y388 HydrophobicContact CD1-CE2 4.12Å; F323-Y388 HydrophobicContact CD2-CE2 4.2Å; F323-Y388 HydrophobicContact CE1-CE2 4.25Å; F323-Y388 HydrophobicContact CE2-CE2 4.33Å; F323-Y388 HydrophobicContact CG-CD2 4.41Å; F323-Y388 HydrophobicContact CG-CE2 4.07Å; F323-Y388 HydrophobicContact CZ-CE2 4.33Å; M376-Y388 HydrophobicContact CE-CD2 4.35Å; M376-Y388 VanDerWaalsContact SD-CA 3.58Å; M376-Y388 VanDerWaalsContact SD-CB 3.56Å; M376-Y388 HydrophobicContact SD-CD2 4.16Å; M376-Y388 HydrophobicContact SD-CG 4.34Å; V384-Y388 WeakPolarHBondContact O-CB 3.44Å; V384-Y388 PolarHBondContact O-N 2.88Å; F385-Y388 PolarHBondContact O-N 2.76Å; Y388-S390 VanDerWaalsContact C-N 3.28Å; Y388-S390 PolarHBondContact O-N 3.05Å; Y388-L391 WeakPolarHBondContact O-CB 3.4Å; Y388-L391 PolarHBondContact O-N 2.83Å; Y388-L391 VanDerWaalsContact O-N 3.08Å; Y388-T392 HydrophobicContact CD2-CG2 4.17Å; Y388-T392 WeakPolarHBondContact CE1-OG1 3.12Å; Y388-T392 HydrophobicContact CE2-CG2 3.5Å; Y388-T392 VanDerWaalsContact CE2-CG2 3.5Å; Y388-T392 VanDerWaalsContact CZ-OG1 3.3Å; Y388-T392 PolarHBondContact O-N 2.76Å; Y388-T392 PolarHBondContact O-OG1 3.07Å; Y388-A614 VanDerWaalsContact OH-CB 3.28Å; Y388-A614 WeakPolarHBondContact OH-CB 3.35Å; Y388-V647 WeakPolarHBondContact CE1-O 3.35Å
389	A	98.8	Very high	98.5	Very high	10 Å²	10	24.7 Å²	24.7	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-31.9	176.9	0	0	0	0	0	112.6	F385 S386 L391 G393 T394	F385-A389 VanDerWaalsContact O-CB 3.26Å; F385-A389 WeakPolarHBondContact O-CB 3.24Å; F385-A389 PolarHBondContact O-N 3.14Å; S386-A389 PolarHBondContact O-N 3.31Å; A389-L391 PolarHBondContact O-N 3.35Å; A389-G393 WeakPolarHBondContact CA-O 3.43Å; A389-G393 CarbonylContact O-C 3.53Å; A389-G393 WeakPolarHBondContact O-CA 3.28Å; A389-G393 PolarHBondContact O-N 2.87Å; A389-T394 HydrophobicContact CB-CG2 3.82Å
390	S	98.6	Very high	98.6	Very high	56 Å²	56	23.7 Å²	23.7	39%	0.392	14%	0.137	S	C	.	.	H	α-helix	trans	-65.4	-24.7	174.5	81	0	0	0	0	113.2	S386 Q387 Y388	S386-S390 WeakPolarHBondContact O-CB 3.26Å; S386-S390 PolarHBondContact O-N 3.23Å; Q387-S390 WeakPolarHBondContact O-CB 3.11Å; Q387-S390 PolarHBondContact O-N 3.09Å; Q387-S390 PolarHBondContact O-OG 3.11Å; Y388-S390 VanDerWaalsContact C-N 3.28Å; Y388-S390 PolarHBondContact O-N 3.05Å
391	L	98.8	Very high	98.7	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-88.3	-49	178	-59.7	175.2	0	0	0	111.2	I91 L112 I113 P116 F323 F374 Q387 Y388 A389	I91-L391 HydrophobicContact CD1-CD1 4.31Å; I91-L391 HydrophobicContact CD1-CD2 4.34Å; I91-L391 HydrophobicContact CD1-CG 4.26Å; L112-L391 CarbonylContact C-O 3.57Å; L112-L391 VanDerWaalsContact CA-O 3.27Å; L112-L391 WeakPolarHBondContact CA-O 3.38Å; L112-L391 HydrophobicContact CD2-CB 3.99Å; I113-L391 PolarHBondContact N-O 3.01Å; P116-L391 HydrophobicContact CB-CD2 3.94Å; P116-L391 HydrophobicContact CG-CD2 3.53Å; F323-L391 HydrophobicContact CD1-CD1 4.15Å; F374-L391 HydrophobicContact CB-CD1 3.88Å; F374-L391 HydrophobicContact CD1-CD1 3.64Å; F374-L391 HydrophobicContact CD1-CD2 3.9Å; F374-L391 HydrophobicContact CD1-CG 4.44Å; F374-L391 HydrophobicContact CD2-CD1 4.43Å; F374-L391 HydrophobicContact CE1-CD1 4.26Å; F374-L391 HydrophobicContact CE1-CD2 3.84Å; F374-L391 HydrophobicContact CG-CD1 3.73Å; Q387-L391 PolarHBondContact O-N 2.76Å; Y388-L391 WeakPolarHBondContact O-CB 3.4Å; Y388-L391 PolarHBondContact O-N 2.83Å; Y388-L391 VanDerWaalsContact O-N 3.08Å; A389-L391 PolarHBondContact O-N 3.35Å
392	T	98.8	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-111.1	1	-168	68.7	0	0	0	0	114.4	V111 I113 F323 Y388 Q617 R618	V111-T392 HydrophobicContact CG1-CG2 4.13Å; I113-T392 VanDerWaalsContact CG2-C 3.48Å; F323-T392 HydrophobicContact CE1-CG2 3.73Å; F323-T392 HydrophobicContact CZ-CG2 3.89Å; Y388-T392 HydrophobicContact CD2-CG2 4.17Å; Y388-T392 WeakPolarHBondContact CE1-OG1 3.12Å; Y388-T392 HydrophobicContact CE2-CG2 3.5Å; Y388-T392 VanDerWaalsContact CE2-CG2 3.5Å; Y388-T392 VanDerWaalsContact CZ-OG1 3.3Å; Y388-T392 PolarHBondContact O-N 2.76Å; Y388-T392 PolarHBondContact O-OG1 3.07Å; T392-Q617 PolarHBondContact O-NE2 2.87Å; T392-Q617 PolarHBondContact OG1-NE2 2.89Å; T392-R618 WeakPolarHBondContact O-CD 3.49Å; T392-R618 PolarHBondContact O-NH1 3.1Å
393	G	98.7	Very high	98.7	Very high	9 Å²	9	16.5 Å²	16.5	9%	0.093	11%	0.105	C	C	.	.			trans	81.9	175.7	-175.5	0	0	0	0	0	113.1	A389 Q617	A389-G393 WeakPolarHBondContact CA-O 3.43Å; A389-G393 CarbonylContact O-C 3.53Å; A389-G393 WeakPolarHBondContact O-CA 3.28Å; A389-G393 PolarHBondContact O-N 2.87Å; G393-Q617 PolarHBondContact O-NE2 3.38Å
394	T	98.9	Very high	98.8	Very high	35 Å²	35	13.6 Å²	13.6	22%	0.215	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-104	169.5	-178.1	51.6	0	0	0	0	111.5	A389 A396 Q617 A726 Y727	A389-T394 HydrophobicContact CB-CG2 3.82Å; T394-A396 PolarHBondContact O-N 3.44Å; T394-Q617 WeakPolarHBondContact O-CG 3.14Å; T394-A726 WeakPolarHBondContact CB-O 3.31Å; T394-Y727 WeakPolarHBondContact CB-O 3.37Å; T394-Y727 WeakPolarHBondContact CG2-O 3.32Å; T394-Y727 PolarHBondContact OG1-O 3.29Å
395	Q	98.8	Very high	98.8	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.009	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-56.9	126.5	171.9	175.6	62.9	64.6	0	0	109.8	F397 Q617 G620 F651 F723 A726 Y727	Q395-F397 PolarHBondContact O-N 2.78Å; Q395-Q617 CarbonylContact C-O 3.6Å; Q395-Q617 WeakPolarHBondContact CA-O 3.18Å; Q395-Q617 PolarHBondContact NE2-O 2.76Å; Q395-Q617 VanDerWaalsContact NE2-O 3.13Å; Q395-G620 PolarHBondContact NE2-O 2.99Å; Q395-F651 VanDerWaalsContact OE1-N 3.08Å; Q395-F723 HydrophobicContact CG-CD1 3.98Å; Q395-F723 HydrophobicContact CG-CE1 3.98Å; Q395-A726 HydrophobicContact CB-CB 4.25Å; Q395-Y727 WeakPolarHBondContact O-CA 3.06Å; Q395-Y727 WeakPolarHBondContact O-CB 3.26Å; Q395-Y727 WeakPolarHBondContact O-CD2 3.23Å
396	A	98.5	Very high	98.8	Very high	25 Å²	25	13.1 Å²	13.1	21%	0.207	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-56.4	136.1	172.6	0	0	0	0	0	110.3	T394 P398 Q617 R618	T394-A396 PolarHBondContact O-N 3.44Å; A396-P398 VanDerWaalsContact O-CD 3.25Å; A396-P398 WeakPolarHBondContact O-CD 3.37Å; A396-Q617 PolarHBondContact N-O 3.4Å; A396-R618 WeakPolarHBondContact CB-O 3.41Å
397	F	98.6	Very high	98.8	Very high	7 Å²	7	10.6 Å²	10.6	3%	0.031	7%	0.07	C	C	.	.			trans	-71.8	111.5	-178.4	-168.7	-141.7	0	0	0	110.1	Q395 R604 Y720 F723 Y724 Y727 Y853 D855 Y862	Q395-F397 PolarHBondContact O-N 2.78Å; F397-R604 VanDerWaalsContact O-CD 3.26Å; F397-R604 WeakPolarHBondContact O-CD 3.37Å; F397-R604 PolarHBondContact O-NE 3.45Å; F397-Y720 HydrophobicContact CE1-CE1 4.47Å; F397-Y720 HydrophobicContact CE1-CE2 4.12Å; F397-Y720 AromaticContact CE1-CZ 3.77Å; F397-Y720 WeakPolarHBondContact CE1-OH 3.47Å; F397-Y720 AromaticContact CE2-CD2 3.98Å; F397-Y720 HydrophobicContact CE2-CD2 3.98Å; F397-Y720 AromaticContact CE2-CE2 3.66Å; F397-Y720 HydrophobicContact CE2-CE2 3.66Å; F397-Y720 HydrophobicContact CZ-CD1 4.34Å; F397-Y720 AromaticContact CZ-CD2 3.99Å; F397-Y720 HydrophobicContact CZ-CD2 3.99Å; F397-Y720 AromaticContact CZ-CE1 3.81Å; F397-Y720 HydrophobicContact CZ-CE1 3.81Å; F397-Y720 AromaticContact CZ-CE2 3.38Å; F397-Y720 HydrophobicContact CZ-CE2 3.38Å; F397-Y720 HydrophobicContact CZ-CG 4.42Å; F397-Y720 AromaticContact CZ-CZ 3.27Å; F397-Y720 WeakPolarHBondContact CZ-OH 3.06Å; F397-F723 HydrophobicContact CD2-CB 4.29Å; F397-F723 HydrophobicContact CE2-CB 4.22Å; F397-Y724 HydrophobicContact CE1-CD2 4.26Å; F397-Y724 HydrophobicContact CE2-CD2 4.45Å; F397-Y724 HydrophobicContact CZ-CD2 4.12Å; F397-Y727 HydrophobicContact CB-CD1 4.4Å; F397-Y727 HydrophobicContact CB-CD2 3.91Å; F397-Y727 HydrophobicContact CB-CE2 4.47Å; F397-Y727 HydrophobicContact CB-CG 3.86Å; F397-Y853 HydrophobicContact CE1-CD1 4.39Å; F397-Y853 AromaticContact CE1-CE1 3.47Å; F397-Y853 HydrophobicContact CE1-CE1 3.47Å; F397-Y853 VanDerWaalsContact CE1-CE1 3.47Å; F397-Y853 AromaticContact CE1-CZ 3.72Å; F397-Y853 AromaticContact CZ-CD1 3.82Å; F397-Y853 HydrophobicContact CZ-CD1 3.82Å; F397-Y853 AromaticContact CZ-CE1 3.34Å; F397-Y853 HydrophobicContact CZ-CE1 3.34Å; F397-Y853 AromaticContact CZ-CZ 3.96Å; F397-D855 WeakPolarHBondContact CE1-OD2 3.25Å; F397-Y862 HydrophobicContact CD1-CD1 4.23Å; F397-Y862 HydrophobicContact CD1-CD2 4.43Å; F397-Y862 HydrophobicContact CD1-CE1 4.09Å; F397-Y862 HydrophobicContact CD1-CE2 4.27Å; F397-Y862 HydrophobicContact CD1-CG 4.41Å
398	P	98.7	Very high	98.8	Very high	6 Å²	6	10.2 Å²	10.2	4%	0.039	7%	0.068	C	C	.	.			trans	-74.5	152	-168	29.2	-33	0	0	0	111.5	A396 L400 S402 L403 R604 F651 F723	A396-P398 VanDerWaalsContact O-CD 3.25Å; A396-P398 WeakPolarHBondContact O-CD 3.37Å; P398-L400 PolarHBondContact O-N 3.4Å; P398-S402 WeakPolarHBondContact CB-OG 3.39Å; P398-L403 HydrophobicContact CB-CD2 4.36Å; P398-L403 HydrophobicContact CG-CD1 4.3Å; P398-L403 HydrophobicContact CG-CD2 3.87Å; P398-L403 HydrophobicContact CG-CG 4.23Å; P398-R604 PolarHBondContact O-NH2 2.68Å; P398-F651 HydrophobicContact CB-CD2 4.24Å; P398-F651 HydrophobicContact CB-CE2 3.78Å; P398-F651 HydrophobicContact CB-CZ 4.47Å; P398-F723 HydrophobicContact CG-CB 3.91Å; P398-F723 HydrophobicContact CG-CD1 3.64Å; P398-F723 HydrophobicContact CG-CD2 4.29Å; P398-F723 HydrophobicContact CG-CE1 4.2Å; P398-F723 HydrophobicContact CG-CG 3.68Å
399	P	98.8	Very high	98.8	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.013	7%	0.07	C	C	.	.			trans	-54	136.2	160.5	-20.8	31.7	0	0	0	110.2	A401 S402 R604 P605 F606 G857	P399-A401 PolarHBondContact O-N 3.03Å; P399-A401 VanDerWaalsContact O-N 3.11Å; P399-S402 PolarHBondContact O-N 3.34Å; P399-S402 PolarHBondContact O-OG 2.95Å; P399-R604 HydrophobicContact CG-CB 4.07Å; P399-P605 WeakPolarHBondContact CD-O 3.42Å; P399-F606 HydrophobicContact CG-CB 4.32Å; P399-G857 CarbonylContact C-O 3.47Å; P399-G857 WeakPolarHBondContact CA-O 3.46Å
400	L	98.8	Very high	98.8	Very high	35 Å²	35	11.5 Å²	11.5	18%	0.183	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-53.8	-37.9	-178.6	175.1	61.7	0	0	0	112	P398 S402 L403 L716 Y720 G857	P398-L400 PolarHBondContact O-N 3.4Å; L400-S402 PolarHBondContact O-N 3.14Å; L400-L403 WeakPolarHBondContact O-CB 3.36Å; L400-L403 PolarHBondContact O-N 3.09Å; L400-L716 HydrophobicContact CD1-CB 4.38Å; L400-Y720 HydrophobicContact CB-CD2 4.26Å; L400-Y720 HydrophobicContact CB-CE2 4.02Å; L400-Y720 HydrophobicContact CD1-CD1 4.29Å; L400-Y720 HydrophobicContact CD1-CD2 3.82Å; L400-Y720 HydrophobicContact CD1-CE2 4.42Å; L400-Y720 HydrophobicContact CD1-CG 3.76Å; L400-G857 PolarHBondContact N-O 2.89Å
401	A	98.8	Very high	98.7	Very high	10 Å²	10	9.1 Å²	9.1	8%	0.083	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-59.6	-33.2	179.1	0	0	0	0	0	113.1	P399 L403 G404 D433 F434 S828	P399-A401 PolarHBondContact O-N 3.03Å; P399-A401 VanDerWaalsContact O-N 3.11Å; A401-L403 PolarHBondContact O-N 2.78Å; A401-G404 PolarHBondContact O-N 3.18Å; A401-D433 WeakPolarHBondContact CA-OD1 3.47Å; A401-D433 HydrophobicContact CB-CB 4.39Å; A401-D433 WeakPolarHBondContact CB-OD1 3.35Å; A401-D433 WeakPolarHBondContact O-CB 3.36Å; A401-F434 HydrophobicContact CB-CE2 3.85Å; A401-F434 HydrophobicContact CB-CZ 4.41Å; A401-F434 WeakPolarHBondContact O-CE2 3.32Å; A401-S828 VanDerWaalsContact CA-OG 3.29Å; A401-S828 WeakPolarHBondContact CA-OG 3.35Å
402	S	98.9	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-74.2	-6.1	-179.8	70.7	0	0	0	0	113.1	P398 P399 L400 H406 F651	P398-S402 WeakPolarHBondContact CB-OG 3.39Å; P399-S402 PolarHBondContact O-N 3.34Å; P399-S402 PolarHBondContact O-OG 2.95Å; L400-S402 PolarHBondContact O-N 3.14Å; S402-H406 PolarHBondContact O-NE2 2.86Å; S402-F651 WeakPolarHBondContact O-CZ 3.21Å; S402-F651 WeakPolarHBondContact OG-CZ 3.46Å
403	L	98.9	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-90.3	-4.5	169.3	-53.8	-176.6	0	0	0	111.8	P398 L400 A401 F651 R712 L716 W719 Y720 F723	P398-L403 HydrophobicContact CB-CD2 4.36Å; P398-L403 HydrophobicContact CG-CD1 4.3Å; P398-L403 HydrophobicContact CG-CD2 3.87Å; P398-L403 HydrophobicContact CG-CG 4.23Å; L400-L403 WeakPolarHBondContact O-CB 3.36Å; L400-L403 PolarHBondContact O-N 3.09Å; A401-L403 PolarHBondContact O-N 2.78Å; L403-F651 HydrophobicContact CD2-CE1 4.02Å; L403-F651 HydrophobicContact CD2-CZ 4.07Å; L403-R712 PolarHBondContact O-NE 3.46Å; L403-R712 PolarHBondContact O-NH2 2.97Å; L403-L716 HydrophobicContact CB-CD2 3.81Å; L403-L716 VanDerWaalsContact O-CD2 3.3Å; L403-L716 WeakPolarHBondContact O-CD2 3.43Å; L403-W719 HydrophobicContact CD1-CB 4.19Å; L403-Y720 HydrophobicContact CD1-CD2 3.85Å; L403-F723 HydrophobicContact CD1-CD2 3.77Å; L403-F723 HydrophobicContact CD1-CE2 4.34Å; L403-F723 HydrophobicContact CD1-CG 4.44Å; L403-F723 HydrophobicContact CD2-CD2 3.58Å; L403-F723 HydrophobicContact CD2-CE2 3.34Å; L403-F723 HydrophobicContact CD2-CG 4.33Å; L403-F723 HydrophobicContact CD2-CZ 3.91Å; L403-F723 HydrophobicContact CG-CD2 4.34Å; L403-F723 HydrophobicContact CG-CE2 4.48Å
404	G	98.9	Very high	98.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-73.3	-163.8	173.6	0	0	0	0	0	112.9	A401 H406	A401-G404 PolarHBondContact O-N 3.18Å; G404-H406 PolarHBondContact O-CD2 3.39Å
405	Y	98.9	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.			trans	-91	137.2	173.5	173.1	-118.1	0	0	0	111.4	Q407 F425 D433 F434 Y672 F681 A683 I709 Y713	Y405-Q407 HydrophobicContact CE1-CB 4.15Å; Y405-Q407 PolarHBondContact OH-OE1 2.95Å; Y405-F425 HydrophobicContact CD1-CE1 4.16Å; Y405-F425 AromaticContact CE1-CE1 3.67Å; Y405-F425 HydrophobicContact CE1-CE1 3.67Å; Y405-F425 AromaticContact CE1-CZ 3.75Å; Y405-F425 HydrophobicContact CE1-CZ 3.75Å; Y405-D433 PolarHBondContact O-N 3.31Å; Y405-F434 PolarHBondContact O-N 2.94Å; Y405-Y672 AromaticContact CE2-CE1 3.76Å; Y405-Y672 HydrophobicContact CE2-CE1 3.76Å; Y405-Y672 AromaticContact CZ-CE1 3.77Å; Y405-Y672 PolarHBondContact OH-OH 3.19Å; Y405-Y672 VanDerWaalsContact OH-OH 3.1Å; Y405-F681 AromaticContact CD2-CD1 3.68Å; Y405-F681 HydrophobicContact CD2-CD1 3.68Å; Y405-F681 HydrophobicContact CD2-CD2 4.2Å; Y405-F681 AromaticContact CD2-CE1 3.5Å; Y405-F681 HydrophobicContact CD2-CE1 3.5Å; Y405-F681 VanDerWaalsContact CD2-CE1 3.5Å; Y405-F681 HydrophobicContact CD2-CE2 4.03Å; Y405-F681 HydrophobicContact CD2-CG 4.04Å; Y405-F681 AromaticContact CD2-CZ 3.7Å; Y405-F681 HydrophobicContact CD2-CZ 3.7Å; Y405-F681 HydrophobicContact CE2-CE1 4.43Å; Y405-F681 HydrophobicContact CE2-CE2 4.29Å; Y405-F681 HydrophobicContact CE2-CZ 4.2Å; Y405-F681 HydrophobicContact CG-CD1 4.22Å; Y405-F681 AromaticContact CG-CE1 3.97Å; Y405-F681 HydrophobicContact CG-CE1 3.97Å; Y405-F681 HydrophobicContact CG-CZ 4.48Å; Y405-A683 HydrophobicContact CE2-CB 4.07Å; Y405-A683 WeakPolarHBondContact OH-CB 3.36Å; Y405-I709 HydrophobicContact CD1-CD1 4.18Å; Y405-I709 HydrophobicContact CD1-CG2 4.43Å; Y405-I709 HydrophobicContact CE1-CD1 4.26Å; Y405-I709 HydrophobicContact CG-CD1 4.46Å; Y405-I709 HydrophobicContact CG-CG2 4.33Å; Y405-Y713 PolarHBondContact N-OH 3.43Å; Y405-Y713 VanDerWaalsContact N-OH 3.13Å
406	H	98.9	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.7	-179.6	-65.5	-114.1	0	0	0	110.4	S402 G404 F434 W436 F606 F680 F681 R682 A683	S402-H406 PolarHBondContact O-NE2 2.86Å; G404-H406 PolarHBondContact O-CD2 3.39Å; H406-F434 HydrophobicContact CB-CB 4.36Å; H406-F434 AromaticContact CE1-CD2 3.27Å; H406-F434 WeakPolarHBondContact CE1-CD2 3.36Å; H406-F434 AromaticContact CE1-CE2 3.82Å; H406-F434 AromaticContact CE1-CG 3.64Å; H406-F434 WeakPolarHBondContact ND1-CB 3.41Å; H406-F434 AromaticContact ND1-CD2 3.64Å; H406-F434 AromaticContact ND1-CG 3.56Å; H406-F434 AromaticContact NE2-CD2 3.82Å; H406-W436 HydrophobicContact CB-CZ2 4.39Å; H406-W436 AromaticContact CG-NE1 3.66Å; H406-W436 AromaticContact ND1-CE2 3.56Å; H406-W436 AromaticContact ND1-CZ2 3.33Å; H406-W436 VanDerWaalsContact ND1-CZ2 3.33Å; H406-W436 WeakPolarHBondContact ND1-CZ2 3.37Å; H406-W436 AromaticContact ND1-NE1 3.21Å; H406-W436 PolarHBondContact ND1-NE1 2.98Å; H406-F606 AromaticContact CE1-CE1 3.95Å; H406-F606 AromaticContact CE1-CZ 3.7Å; H406-F680 AromaticContact CE1-CE2 3.93Å; H406-F680 AromaticContact ND1-CE2 3.96Å; H406-F681 WeakPolarHBondContact CB-O 3.42Å; H406-F681 PolarHBondContact CD2-O 2.83Å; H406-F681 PolarHBondContact N-O 3.45Å; H406-R682 HydrophobicContact CB-CB 3.78Å; H406-R682 HydrophobicContact CB-CG 3.84Å; H406-R682 WeakPolarHBondContact O-CA 3.46Å; H406-A683 PolarHBondContact O-N 2.53Å
407	Q	98.9	Very high	98.6	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.019	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.9	176	176.3	63.6	58.3	0	0	110.9	Y405 Y412 V421 F425 F434 I435 W436	Y405-Q407 HydrophobicContact CE1-CB 4.15Å; Y405-Q407 PolarHBondContact OH-OE1 2.95Å; Q407-Y412 VanDerWaalsContact CD-OH 3.3Å; Q407-Y412 HydrophobicContact CG-CE2 4.4Å; Q407-Y412 WeakPolarHBondContact CG-OH 3.34Å; Q407-Y412 PolarHBondContact NE2-OH 2.84Å; Q407-V421 HydrophobicContact CG-CG1 4.2Å; Q407-F425 HydrophobicContact CB-CE2 3.92Å; Q407-F425 HydrophobicContact CB-CZ 3.83Å; Q407-F425 HydrophobicContact CG-CE2 3.75Å; Q407-F425 HydrophobicContact CG-CZ 3.83Å; Q407-F434 PolarHBondContact N-O 3.14Å; Q407-I435 WeakPolarHBondContact O-CA 3.32Å; Q407-W436 VanDerWaalsContact O-CD1 3.26Å; Q407-W436 PolarHBondContact O-N 3.22Å
408	C	98.9	Very high	98.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	10%	0.101	C	C	.	.			trans	-144.2	160.5	-179.6	-168.7	0	0	0	0	111.7	W436 R682 A683 H684	C408-W436 HydrophobicContact CB-CB 3.54Å; C408-W436 HydrophobicContact CB-CD2 4.37Å; C408-W436 HydrophobicContact CB-CG 3.78Å; C408-W436 WeakPolarHBondContact SG-CB 3.24Å; C408-R682 HydrophobicContact CB-CG 4.09Å; C408-A683 CarbonylContact C-O 3.44Å; C408-A683 VanDerWaalsContact CA-O 3.31Å; C408-A683 WeakPolarHBondContact CA-O 3.3Å; C408-A683 VanDerWaalsContact CB-O 3.23Å; C408-A683 WeakPolarHBondContact CB-O 3.44Å; C408-A683 PolarHBondContact N-O 2.87Å; C408-H684 HydrophobicContact CB-CB 4.03Å; C408-H684 WeakPolarHBondContact O-CA 3.32Å; C408-H684 VanDerWaalsContact SG-CE1 3.51Å; C408-H684 PolarHBondContact SG-ND1 2.66Å
409	R	98.8	Very high	98.6	Very high	19 Å²	19	25.2 Å²	25.2	7%	0.072	12%	0.12	C	C	.	.			trans	-163.8	160.9	159.2	60	163.7	-68.7	121.6	3.6	109.3	N411 Y412 H684 A685 L687 T689	R409-N411 WeakPolarHBondContact CD-O 3.44Å; R409-N411 PolarHBondContact NE-O 2.7Å; R409-N411 VanDerWaalsContact O-CA 3.25Å; R409-N411 WeakPolarHBondContact O-CA 3.35Å; R409-Y412 HydrophobicContact CG-CD1 4.07Å; R409-Y412 HydrophobicContact CG-CE1 3.75Å; R409-Y412 HydrophobicContact CG-CE2 4.26Å; R409-Y412 HydrophobicContact CG-CG 4.4Å; R409-H684 WeakPolarHBondContact CA-ND1 3.41Å; R409-A685 HydrophobicContact CB-CB 4.26Å; R409-L687 PolarHBondContact NH2-O 2.93Å; R409-T689 PolarHBondContact NH1-O 3.22Å; R409-T689 PolarHBondContact NH2-O 2.68Å
410	W	98.1	Very high	98.6	Very high	26 Å²	26	28.1 Å²	28.1	10%	0.098	14%	0.14	C	C	.	.	S	Bend	trans	-87.5	108.7	160.8	-172.1	-6.2	0	0	0	108.8	D438 I439 W512 F659 A685 H686 L687	W410-D438 VanDerWaalsContact CB-OD2 3.24Å; W410-D438 WeakPolarHBondContact CB-OD2 3.42Å; W410-I439 HydrophobicContact CH2-CD1 4.45Å; W410-I439 HydrophobicContact CZ2-CD1 3.73Å; W410-I439 HydrophobicContact CZ2-CG1 4.37Å; W410-W512 AromaticContact CH2-CH2 3.54Å; W410-W512 HydrophobicContact CH2-CH2 3.54Å; W410-W512 HydrophobicContact CH2-CZ2 4.03Å; W410-W512 AromaticContact CH2-CZ3 3.83Å; W410-W512 HydrophobicContact CH2-CZ3 3.83Å; W410-W512 HydrophobicContact CZ2-CH2 4.49Å; W410-W512 HydrophobicContact CZ2-CZ3 4.46Å; W410-W512 HydrophobicContact CZ3-CH2 4.13Å; W410-W512 HydrophobicContact CZ3-CZ2 4.39Å; W410-F659 HydrophobicContact CE3-CZ 4.01Å; W410-F659 HydrophobicContact CZ3-CZ 4.43Å; W410-A685 WeakPolarHBondContact CB-O 3.1Å; W410-A685 PolarHBondContact N-O 3.46Å; W410-H686 AromaticContact CE3-CD2 3.94Å; W410-H686 AromaticContact CZ3-CD2 3.89Å; W410-H686 AromaticContact CZ3-NE2 3.96Å; W410-L687 HydrophobicContact CB-CB 4.46Å; W410-L687 HydrophobicContact CD2-CB 3.74Å; W410-L687 HydrophobicContact CE3-CB 4.14Å; W410-L687 HydrophobicContact CG-CB 3.87Å; W410-L687 HydrophobicContact CG-CD1 4.34Å; W410-L687 HydrophobicContact CZ2-CB 4.45Å; W410-L687 HydrophobicContact CZ2-CD2 4.25Å; W410-L687 VanDerWaalsContact O-CA 3.31Å; W410-L687 WeakPolarHBondContact O-CA 3.41Å
411	N	97.5	Very high	98.6	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.032	13%	0.132	C	C	.	.			cis	-117	164.3	-20.9	-113	88.8	0	0	0	109	R409 D438 I439 E440	R409-N411 WeakPolarHBondContact CD-O 3.44Å; R409-N411 PolarHBondContact NE-O 2.7Å; R409-N411 VanDerWaalsContact O-CA 3.25Å; R409-N411 WeakPolarHBondContact O-CA 3.35Å; N411-D438 PolarHBondContact ND2-N 2.77Å; N411-D438 PolarHBondContact ND2-O 2.77Å; N411-D438 VanDerWaalsContact OD1-CB 3.3Å; N411-D438 WeakPolarHBondContact OD1-CB 3.37Å; N411-I439 PolarHBondContact OD1-N 2.8Å; N411-E440 HydrophobicContact CB-CB 3.67Å; N411-E440 HydrophobicContact CB-CG 3.7Å; N411-E440 VanDerWaalsContact CG-CG 3.48Å; N411-E440 PolarHBondContact ND2-N 3.24Å; N411-E440 WeakPolarHBondContact OD1-CB 3.41Å; N411-E440 WeakPolarHBondContact OD1-CG 3.26Å; N411-E440 PolarHBondContact OD1-N 2.9Å; N411-E440 VanDerWaalsContact OD1-N 3.13Å
412	Y	98.7	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.			trans	-73.6	132.6	150.5	-70.5	-54.9	0	0	0	108.9	Q407 R409 D417 V418 V421 I435 W436 E693	Q407-Y412 VanDerWaalsContact CD-OH 3.3Å; Q407-Y412 HydrophobicContact CG-CE2 4.4Å; Q407-Y412 WeakPolarHBondContact CG-OH 3.34Å; Q407-Y412 PolarHBondContact NE2-OH 2.84Å; R409-Y412 HydrophobicContact CG-CD1 4.07Å; R409-Y412 HydrophobicContact CG-CE1 3.75Å; R409-Y412 HydrophobicContact CG-CE2 4.26Å; R409-Y412 HydrophobicContact CG-CG 4.4Å; Y412-D417 WeakPolarHBondContact CA-OD2 3.17Å; Y412-V418 HydrophobicContact CG-CG2 4.49Å; Y412-V421 HydrophobicContact CD1-CG2 3.96Å; Y412-V421 HydrophobicContact CE1-CB 4.36Å; Y412-V421 HydrophobicContact CE1-CG1 4.27Å; Y412-V421 HydrophobicContact CE1-CG2 3.5Å; Y412-I435 HydrophobicContact CD2-CD1 4.09Å; Y412-I435 HydrophobicContact CD2-CG1 3.89Å; Y412-I435 HydrophobicContact CE2-CD1 3.82Å; Y412-I435 HydrophobicContact CE2-CG1 3.58Å; Y412-W436 VanDerWaalsContact CD2-O 3.31Å; Y412-W436 WeakPolarHBondContact CD2-O 3.27Å; Y412-E693 VanDerWaalsContact CE1-OE1 3.26Å; Y412-E693 WeakPolarHBondContact CE1-OE1 3.3Å; Y412-E693 PolarHBondContact OH-OE1 2.93Å
413	N	98.1	Very high	98.6	Very high	101 Å²	101	28.5 Å²	28.5	54%	0.54	15%	0.147	S	C	.	.			trans	-71.5	-41.7	-163.6	-67.5	-45.8	0	0	0	112.9	D417 K454	N413-D417 HydrophobicContact CB-CB 4.21Å; N413-D417 PolarHBondContact N-OD2 2.82Å; N413-D417 PolarHBondContact ND2-OD2 2.91Å; N413-K454 WeakPolarHBondContact O-CD 3.49Å
414	D	98.7	Very high	98.6	Very high	59 Å²	59	28.8 Å²	28.8	32%	0.316	15%	0.15	S	C	.	.	S	Bend	trans	-163.9	-176.4	-174.2	57.6	33.3	0	0	0	110.8	E416 D417 V418 K454	D414-E416 PolarHBondContact O-N 2.7Å; D414-E416 WeakPolarHBondContact OD1-CA 3.31Å; D414-E416 WeakPolarHBondContact OD1-CB 3.29Å; D414-E416 PolarHBondContact OD1-N 3.46Å; D414-D417 PolarHBondContact O-N 2.94Å; D414-D417 PolarHBondContact OD1-N 3.23Å; D414-V418 WeakPolarHBondContact O-CG2 3.44Å; D414-V418 PolarHBondContact O-N 2.85Å; D414-V418 VanDerWaalsContact O-N 3.13Å; D414-K454 WeakPolarHBondContact CA-O 3.41Å; D414-K454 HydrophobicContact CB-CB 3.95Å; D414-K454 HydrophobicContact CB-CG 4.47Å; D414-K454 VanDerWaalsContact CB-O 3.32Å; D414-K454 WeakPolarHBondContact CB-O 3.25Å
415	Q	98	Very high	98.6	Very high	32 Å²	32	28.8 Å²	28.8	15%	0.15	15%	0.15	C	C	.	.	H	α-helix	trans	-60.9	-30.4	177.7	-65.7	175.8	159.5	0	0	113.9	R419 K454 F455 S457 M461	Q415-R419 WeakPolarHBondContact O-CB 3.38Å; Q415-R419 PolarHBondContact O-N 3.25Å; Q415-K454 WeakPolarHBondContact CG-O 3.17Å; Q415-K454 PolarHBondContact N-O 3Å; Q415-K454 VanDerWaalsContact N-O 3.1Å; Q415-F455 HydrophobicContact CG-CB 4.44Å; Q415-F455 HydrophobicContact CG-CD1 3.71Å; Q415-F455 HydrophobicContact CG-CE1 4.4Å; Q415-F455 HydrophobicContact CG-CG 4.41Å; Q415-S457 VanDerWaalsContact OE1-CA 3.23Å; Q415-S457 PolarHBondContact OE1-O 2.94Å; Q415-S457 VanDerWaalsContact OE1-O 3.11Å; Q415-M461 HydrophobicContact CB-SD 4.27Å; Q415-M461 HydrophobicContact CG-CB 4.22Å; Q415-M461 HydrophobicContact CG-CG 4.49Å; Q415-M461 HydrophobicContact CG-SD 3.82Å
416	E	98.5	Very high	98.6	Very high	95 Å²	95	31.1 Å²	31.1	44%	0.444	16%	0.162	S	C	.	.	H	α-helix	trans	-77	-36.4	-178.9	-174.2	57.9	-152.1	0	0	111	D414 R419 S420	D414-E416 PolarHBondContact O-N 2.7Å; D414-E416 WeakPolarHBondContact OD1-CA 3.31Å; D414-E416 WeakPolarHBondContact OD1-CB 3.29Å; D414-E416 PolarHBondContact OD1-N 3.46Å; E416-R419 PolarHBondContact O-N 3.02Å; E416-R419 IonicContact OE2-CZ 2.98Å; E416-R419 IonicContact OE2-NE 2.71Å; E416-R419 IonicContact OE2-NH1 3.19Å; E416-R419 PolarHBondContact OE2-NH1 3.42Å; E416-S420 VanDerWaalsContact O-CB 3.31Å; E416-S420 WeakPolarHBondContact O-CB 3.46Å; E416-S420 PolarHBondContact O-N 3.35Å; E416-S420 PolarHBondContact O-OG 3.31Å
417	D	98.8	Very high	98.6	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.102	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-45.9	170.9	-171.1	10.8	0	0	0	110.9	Y412 N413 D414 R419 S420 V421 R691	Y412-D417 WeakPolarHBondContact CA-OD2 3.17Å; N413-D417 HydrophobicContact CB-CB 4.21Å; N413-D417 PolarHBondContact N-OD2 2.82Å; N413-D417 PolarHBondContact ND2-OD2 2.91Å; D414-D417 PolarHBondContact O-N 2.94Å; D414-D417 PolarHBondContact OD1-N 3.23Å; D417-R419 VanDerWaalsContact C-N 3.34Å; D417-R419 PolarHBondContact O-N 3.16Å; D417-S420 PolarHBondContact O-N 2.82Å; D417-V421 VanDerWaalsContact O-CG2 3.26Å; D417-V421 WeakPolarHBondContact O-CG2 3.42Å; D417-V421 PolarHBondContact O-N 3.06Å; D417-R691 VanDerWaalsContact CG-NH1 3.25Å; D417-R691 IonicContact OD1-CZ 2.86Å; D417-R691 VanDerWaalsContact OD1-CZ 3.3Å; D417-R691 IonicContact OD1-NH1 3.42Å; D417-R691 PolarHBondContact OD1-NH1 3.33Å; D417-R691 IonicContact OD1-NH2 3.45Å; D417-R691 PolarHBondContact OD1-NH2 2.76Å; D417-R691 IonicContact OD2-CZ 3.54Å; D417-R691 IonicContact OD2-NH1 3.59Å; D417-R691 PolarHBondContact OD2-NH1 2.76Å
418	V	98.8	Very high	98.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-56.5	-47.7	173.4	171.2	0	0	0	0	111.2	Y412 D414 S420 V421 D422 I435 L437 F455 M461 M472	Y412-V418 HydrophobicContact CG-CG2 4.49Å; D414-V418 WeakPolarHBondContact O-CG2 3.44Å; D414-V418 PolarHBondContact O-N 2.85Å; D414-V418 VanDerWaalsContact O-N 3.13Å; V418-S420 VanDerWaalsContact C-N 3.34Å; V418-S420 PolarHBondContact O-N 3.02Å; V418-V421 PolarHBondContact O-N 3.18Å; V418-D422 WeakPolarHBondContact O-CB 3.33Å; V418-D422 PolarHBondContact O-N 3.03Å; V418-I435 HydrophobicContact CG1-CD1 4.15Å; V418-I435 HydrophobicContact CG1-CG2 4.22Å; V418-L437 HydrophobicContact CG2-CD2 3.84Å; V418-F455 HydrophobicContact CG2-CE1 4.37Å; V418-M461 HydrophobicContact CB-SD 4.02Å; V418-M461 HydrophobicContact CG1-CG 3.96Å; V418-M461 HydrophobicContact CG1-SD 3.9Å; V418-M461 HydrophobicContact CG2-SD 3.97Å; V418-M472 HydrophobicContact CG1-CE 4.02Å
419	R	98.7	Very high	98.6	Very high	118 Å²	118	44.6 Å²	44.6	45%	0.445	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-41.4	177.5	-178.5	-175.5	-68.4	154.5	-6.7	112.1	Q415 E416 D417 A423 E460	Q415-R419 WeakPolarHBondContact O-CB 3.38Å; Q415-R419 PolarHBondContact O-N 3.25Å; E416-R419 PolarHBondContact O-N 3.02Å; E416-R419 IonicContact OE2-CZ 2.98Å; E416-R419 IonicContact OE2-NE 2.71Å; E416-R419 IonicContact OE2-NH1 3.19Å; E416-R419 PolarHBondContact OE2-NH1 3.42Å; D417-R419 VanDerWaalsContact C-N 3.34Å; D417-R419 PolarHBondContact O-N 3.16Å; R419-A423 WeakPolarHBondContact O-CB 3.26Å; R419-A423 PolarHBondContact O-N 2.83Å; R419-E460 IonicContact NH2-OE1 2.87Å; R419-E460 PolarHBondContact NH2-OE1 3.13Å
420	S	98.8	Very high	98.6	Very high	63 Å²	63	43.8 Å²	43.8	44%	0.441	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-41.7	179.7	-63.9	0	0	0	0	111.7	E416 D417 V418 A423 G424	E416-S420 VanDerWaalsContact O-CB 3.31Å; E416-S420 WeakPolarHBondContact O-CB 3.46Å; E416-S420 PolarHBondContact O-N 3.35Å; E416-S420 PolarHBondContact O-OG 3.31Å; D417-S420 PolarHBondContact O-N 2.82Å; V418-S420 VanDerWaalsContact C-N 3.34Å; V418-S420 PolarHBondContact O-N 3.02Å; S420-A423 PolarHBondContact O-N 2.96Å; S420-G424 PolarHBondContact O-N 3.44Å
421	V	98.9	Very high	98.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-48.1	176	173.2	0	0	0	0	110.6	Q407 Y412 D417 V418 A423 G424 F425 I435 E693 W695	Q407-V421 HydrophobicContact CG-CG1 4.2Å; Y412-V421 HydrophobicContact CD1-CG2 3.96Å; Y412-V421 HydrophobicContact CE1-CB 4.36Å; Y412-V421 HydrophobicContact CE1-CG1 4.27Å; Y412-V421 HydrophobicContact CE1-CG2 3.5Å; D417-V421 VanDerWaalsContact O-CG2 3.26Å; D417-V421 WeakPolarHBondContact O-CG2 3.42Å; D417-V421 PolarHBondContact O-N 3.06Å; V418-V421 PolarHBondContact O-N 3.18Å; V421-A423 VanDerWaalsContact C-N 3.28Å; V421-A423 PolarHBondContact O-N 3.11Å; V421-G424 PolarHBondContact O-N 3.28Å; V421-G424 VanDerWaalsContact O-N 3.07Å; V421-F425 HydrophobicContact CG1-CD2 4.11Å; V421-F425 HydrophobicContact CG1-CE2 3.74Å; V421-F425 VanDerWaalsContact O-CD2 3.25Å; V421-F425 WeakPolarHBondContact O-CD2 3.29Å; V421-F425 PolarHBondContact O-N 2.89Å; V421-F425 VanDerWaalsContact O-N 3.12Å; V421-I435 HydrophobicContact CB-CD1 3.88Å; V421-I435 HydrophobicContact CG1-CD1 3.57Å; V421-E693 HydrophobicContact CG1-CG 4.23Å; V421-E693 HydrophobicContact CG2-CG 4.37Å; V421-W695 HydrophobicContact CG1-CH2 4.06Å; V421-W695 WeakPolarHBondContact O-CH2 3.41Å
422	D	98.9	Very high	98.7	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.043	22%	0.219	C	C	.	.	H	α-helix	trans	-56.5	-41.2	175.8	169.8	78.9	0	0	0	112.3	V418 Y432 L465 K468 R470	V418-D422 WeakPolarHBondContact O-CB 3.33Å; V418-D422 PolarHBondContact O-N 3.03Å; D422-Y432 WeakPolarHBondContact CA-OH 3.4Å; D422-Y432 VanDerWaalsContact CB-OH 3.26Å; D422-Y432 WeakPolarHBondContact CB-OH 3.27Å; D422-Y432 PolarHBondContact OD1-OH 3.47Å; D422-L465 HydrophobicContact CB-CD2 4.07Å; D422-L465 WeakPolarHBondContact OD1-CD2 3.05Å; D422-K468 WeakPolarHBondContact OD2-CD 3.11Å; D422-K468 VanDerWaalsContact OD2-CE 3.22Å; D422-K468 WeakPolarHBondContact OD2-CE 3.43Å; D422-K468 IonicContact OD2-NZ 3.48Å; D422-K468 PolarHBondContact OD2-NZ 2.88Å; D422-R470 PolarHBondContact O-NH1 3.48Å; D422-R470 VanDerWaalsContact O-NH1 3.13Å; D422-R470 VanDerWaalsContact OD1-CD 3.27Å; D422-R470 WeakPolarHBondContact OD1-CD 3.19Å; D422-R470 IonicContact OD1-CZ 3.12Å; D422-R470 IonicContact OD1-NE 3.59Å; D422-R470 IonicContact OD1-NH1 3.99Å; D422-R470 PolarHBondContact OD1-NH1 2.98Å; D422-R470 IonicContact OD2-NH1 2.88Å
423	A	98.8	Very high	98.7	Very high	44 Å²	44	42.3 Å²	42.3	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-67.5	-39.7	173.9	0	0	0	0	0	112.6	R419 S420 V421 F425 D426 E427	R419-A423 WeakPolarHBondContact O-CB 3.26Å; R419-A423 PolarHBondContact O-N 2.83Å; S420-A423 PolarHBondContact O-N 2.96Å; V421-A423 VanDerWaalsContact C-N 3.28Å; V421-A423 PolarHBondContact O-N 3.11Å; A423-F425 VanDerWaalsContact C-N 3.32Å; A423-F425 PolarHBondContact O-N 3.31Å; A423-D426 PolarHBondContact O-N 3.28Å; A423-D426 VanDerWaalsContact O-N 3.1Å; A423-E427 PolarHBondContact O-N 2.83Å
424	G	98.8	Very high	98.7	Very high	5 Å²	5	37.5 Å²	37.5	5%	0.052	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-39.3	177.8	0	0	0	0	0	113	S420 V421 D426 E427 H428	S420-G424 PolarHBondContact O-N 3.44Å; V421-G424 PolarHBondContact O-N 3.28Å; V421-G424 VanDerWaalsContact O-N 3.07Å; G424-D426 VanDerWaalsContact C-N 3.33Å; G424-D426 PolarHBondContact O-N 3.44Å; G424-E427 PolarHBondContact O-N 3.07Å; G424-H428 WeakPolarHBondContact O-CB 3.49Å; G424-H428 PolarHBondContact O-CD2 2.56Å; G424-H428 PolarHBondContact O-N 3.45Å
425	F	98.9	Very high	98.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-41	173.3	-82.5	-77.7	0	0	0	113	Y405 Q407 V421 A423 D429 I430 Y432 P694 W695	Y405-F425 HydrophobicContact CD1-CE1 4.16Å; Y405-F425 AromaticContact CE1-CE1 3.67Å; Y405-F425 HydrophobicContact CE1-CE1 3.67Å; Y405-F425 AromaticContact CE1-CZ 3.75Å; Y405-F425 HydrophobicContact CE1-CZ 3.75Å; Q407-F425 HydrophobicContact CB-CE2 3.92Å; Q407-F425 HydrophobicContact CB-CZ 3.83Å; Q407-F425 HydrophobicContact CG-CE2 3.75Å; Q407-F425 HydrophobicContact CG-CZ 3.83Å; V421-F425 HydrophobicContact CG1-CD2 4.11Å; V421-F425 HydrophobicContact CG1-CE2 3.74Å; V421-F425 VanDerWaalsContact O-CD2 3.25Å; V421-F425 WeakPolarHBondContact O-CD2 3.29Å; V421-F425 PolarHBondContact O-N 2.89Å; V421-F425 VanDerWaalsContact O-N 3.12Å; A423-F425 VanDerWaalsContact C-N 3.32Å; A423-F425 PolarHBondContact O-N 3.31Å; F425-D429 PolarHBondContact O-N 3.02Å; F425-D429 VanDerWaalsContact O-N 3.12Å; F425-I430 WeakPolarHBondContact CB-O 3.32Å; F425-I430 HydrophobicContact CD1-CB 3.72Å; F425-I430 HydrophobicContact CD1-CG2 3.62Å; F425-I430 WeakPolarHBondContact CD1-O 3.49Å; F425-I430 HydrophobicContact CE1-CB 4.25Å; F425-I430 HydrophobicContact CE1-CG2 3.7Å; F425-I430 PolarHBondContact O-N 2.83Å; F425-Y432 HydrophobicContact CB-CD1 3.49Å; F425-Y432 VanDerWaalsContact CB-CD1 3.49Å; F425-Y432 HydrophobicContact CB-CE1 3.62Å; F425-Y432 AromaticContact CD1-CD1 3.68Å; F425-Y432 HydrophobicContact CD1-CD1 3.68Å; F425-Y432 HydrophobicContact CD1-CE1 4.45Å; F425-Y432 HydrophobicContact CD1-CG 4.24Å; F425-Y432 AromaticContact CD2-CD1 3.38Å; F425-Y432 HydrophobicContact CD2-CD1 3.38Å; F425-Y432 AromaticContact CD2-CE1 3.36Å; F425-Y432 HydrophobicContact CD2-CE1 3.36Å; F425-Y432 HydrophobicContact CD2-CG 4.12Å; F425-Y432 HydrophobicContact CE1-CD1 4.29Å; F425-Y432 HydrophobicContact CE1-CG 4.45Å; F425-Y432 HydrophobicContact CE2-CD1 4.03Å; F425-Y432 HydrophobicContact CE2-CE1 4.18Å; F425-Y432 HydrophobicContact CE2-CG 4.33Å; F425-Y432 AromaticContact CG-CD1 3.21Å; F425-Y432 HydrophobicContact CG-CD1 3.21Å; F425-Y432 AromaticContact CG-CE1 3.56Å; F425-Y432 HydrophobicContact CG-CE1 3.56Å; F425-Y432 HydrophobicContact CG-CG 4.11Å; F425-Y432 HydrophobicContact CZ-CD1 4.45Å; F425-P694 HydrophobicContact CE1-CG 3.85Å; F425-P694 HydrophobicContact CZ-CG 4.13Å; F425-W695 AromaticContact CD1-CZ3 3.99Å; F425-W695 HydrophobicContact CD1-CZ3 3.99Å; F425-W695 AromaticContact CD2-CH2 3.77Å; F425-W695 HydrophobicContact CD2-CH2 3.77Å; F425-W695 AromaticContact CD2-CZ3 3.63Å; F425-W695 HydrophobicContact CD2-CZ3 3.63Å; F425-W695 AromaticContact CE1-CZ3 3.99Å; F425-W695 HydrophobicContact CE1-CZ3 3.99Å; F425-W695 AromaticContact CE2-CH2 3.77Å; F425-W695 HydrophobicContact CE2-CH2 3.77Å; F425-W695 AromaticContact CE2-CZ3 3.62Å; F425-W695 HydrophobicContact CE2-CZ3 3.62Å; F425-W695 HydrophobicContact CG-CH2 4.33Å; F425-W695 AromaticContact CG-CZ3 3.79Å; F425-W695 HydrophobicContact CG-CZ3 3.79Å; F425-W695 HydrophobicContact CZ-CH2 4.35Å; F425-W695 AromaticContact CZ-CZ3 3.79Å; F425-W695 HydrophobicContact CZ-CZ3 3.79Å
426	D	98.8	Very high	98.8	Very high	49 Å²	49	33.1 Å²	33.1	26%	0.262	17%	0.171	S	C	.	.	H	α-helix	trans	-70.2	-43.2	177	-69.3	-20	0	0	0	111.7	A423 G424 H428 D429 K468 R470	A423-D426 PolarHBondContact O-N 3.28Å; A423-D426 VanDerWaalsContact O-N 3.1Å; G424-D426 VanDerWaalsContact C-N 3.33Å; G424-D426 PolarHBondContact O-N 3.44Å; D426-H428 VanDerWaalsContact C-N 3.26Å; D426-H428 PolarHBondContact O-N 3.22Å; D426-D429 PolarHBondContact O-N 2.93Å; D426-K468 WeakPolarHBondContact OD2-CD 3.42Å; D426-K468 WeakPolarHBondContact OD2-CE 3.46Å; D426-K468 IonicContact OD2-NZ 3.24Å; D426-K468 PolarHBondContact OD2-NZ 3.45Å; D426-R470 IonicContact OD1-CZ 2.72Å; D426-R470 IonicContact OD1-NH1 2.96Å; D426-R470 PolarHBondContact OD1-NH1 3.38Å; D426-R470 IonicContact OD1-NH2 3.83Å; D426-R470 PolarHBondContact OD1-NH2 3.38Å; D426-R470 IonicContact OD2-NH1 2.99Å
427	E	98.6	Very high	98.8	Very high	156 Å²	156	28.7 Å²	28.7	73%	0.729	15%	0.15	S	C	*	.	H	α-helix	trans	-58.8	-39.9	177.3	-179.6	176.9	173.6	0	0	111.5	A423 G424	A423-E427 PolarHBondContact O-N 2.83Å; G424-E427 PolarHBondContact O-N 3.07Å
428	H	98.8	Very high	98.8	Very high	47 Å²	47	28.1 Å²	28.1	22%	0.218	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	7.4	-177.2	-64.3	-63.1	0	0	0	114	G424 D426 I430 W695 R706	G424-H428 WeakPolarHBondContact O-CB 3.49Å; G424-H428 PolarHBondContact O-CD2 2.56Å; G424-H428 PolarHBondContact O-N 3.45Å; D426-H428 VanDerWaalsContact C-N 3.26Å; D426-H428 PolarHBondContact O-N 3.22Å; H428-I430 VanDerWaalsContact C-N 3.25Å; H428-I430 HydrophobicContact CB-CD1 4.13Å; H428-I430 HydrophobicContact CB-CG1 4.28Å; H428-I430 PolarHBondContact O-N 2.92Å; H428-W695 HydrophobicContact CB-CB 4.28Å; H428-W695 WeakPolarHBondContact CD2-CB 3.37Å; H428-W695 AromaticContact CD2-CD1 3.7Å; H428-W695 AromaticContact CD2-CD2 3.55Å; H428-W695 AromaticContact CD2-CE3 3.99Å; H428-W695 AromaticContact CD2-CG 3.2Å; H428-W695 WeakPolarHBondContact NE2-CB 3.11Å; H428-W695 AromaticContact NE2-CD1 3.45Å; H428-W695 AromaticContact NE2-CG 3.4Å; H428-R706 PolarHBondContact O-NE 2.9Å; H428-R706 PolarHBondContact O-NH2 3.25Å
429	D	98.4	Very high	98.8	Very high	86 Å²	86	28.1 Å²	28.1	46%	0.46	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	41	-179.7	-172.8	37.6	0	0	0	113.4	F425 D426 R706 R710	F425-D429 PolarHBondContact O-N 3.02Å; F425-D429 VanDerWaalsContact O-N 3.12Å; D426-D429 PolarHBondContact O-N 2.93Å; D429-R706 WeakPolarHBondContact O-CD 3.18Å; D429-R706 VanDerWaalsContact O-CG 3.31Å; D429-R706 WeakPolarHBondContact O-CG 3.21Å; D429-R710 IonicContact OD1-NH1 2.82Å; D429-R710 PolarHBondContact OD1-NH1 2.75Å; D429-R710 IonicContact OD2-CZ 3.19Å; D429-R710 IonicContact OD2-NH1 3.66Å; D429-R710 PolarHBondContact OD2-NH1 3.24Å; D429-R710 IonicContact OD2-NH2 3.16Å
430	I	98.9	Very high	98.8	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	14%	0.135	C	C	.	.			trans	-107.7	120.6	175.9	-59.9	173.1	0	0	0	107.8	F425 H428 P694 T702 R706 I709	F425-I430 WeakPolarHBondContact CB-O 3.32Å; F425-I430 HydrophobicContact CD1-CB 3.72Å; F425-I430 HydrophobicContact CD1-CG2 3.62Å; F425-I430 WeakPolarHBondContact CD1-O 3.49Å; F425-I430 HydrophobicContact CE1-CB 4.25Å; F425-I430 HydrophobicContact CE1-CG2 3.7Å; F425-I430 PolarHBondContact O-N 2.83Å; H428-I430 VanDerWaalsContact C-N 3.25Å; H428-I430 HydrophobicContact CB-CD1 4.13Å; H428-I430 HydrophobicContact CB-CG1 4.28Å; H428-I430 PolarHBondContact O-N 2.92Å; I430-P694 HydrophobicContact CD1-CB 3.98Å; I430-P694 HydrophobicContact CD1-CG 3.74Å; I430-P694 HydrophobicContact CG2-CG 4.45Å; I430-T702 HydrophobicContact CD1-CG2 4.12Å; I430-R706 HydrophobicContact CD1-CB 4.46Å; I430-R706 HydrophobicContact CG1-CB 3.87Å; I430-R706 HydrophobicContact CG1-CG 3.96Å; I430-I709 HydrophobicContact CG2-CB 4.43Å; I430-I709 HydrophobicContact CG2-CD1 3.53Å; I430-I709 HydrophobicContact CG2-CG2 4.23Å
431	P	98.9	Very high	98.8	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	11%	0.114	C	C	.	.			trans	-80.5	145.5	-179.9	33.7	-34.8	0	0	0	111.8	I709 R710 Y713 V824 R825 R826	P431-I709 HydrophobicContact CG-CG2 3.82Å; P431-I709 VanDerWaalsContact O-CG2 3.27Å; P431-I709 WeakPolarHBondContact O-CG2 3.29Å; P431-R710 HydrophobicContact CG-CG 4.19Å; P431-Y713 HydrophobicContact CB-CD1 4.19Å; P431-Y713 HydrophobicContact CB-CD2 3.98Å; P431-Y713 HydrophobicContact CB-CE1 4.03Å; P431-Y713 HydrophobicContact CB-CE2 3.8Å; P431-Y713 HydrophobicContact CB-CG 4.17Å; P431-Y713 HydrophobicContact CG-CD1 4.42Å; P431-Y713 HydrophobicContact CG-CD2 3.49Å; P431-Y713 VanDerWaalsContact CG-CD2 3.49Å; P431-Y713 HydrophobicContact CG-CE2 3.66Å; P431-Y713 HydrophobicContact CG-CG 3.9Å; P431-V824 HydrophobicContact CB-CG1 4.43Å; P431-V824 HydrophobicContact CG-CG1 3.93Å; P431-R825 WeakPolarHBondContact CB-O 3.41Å; P431-R826 VanDerWaalsContact CA-O 3.3Å; P431-R826 WeakPolarHBondContact CA-O 3.5Å
432	Y	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.			trans	-153.6	153	172.3	88.1	-85.5	0	0	0	110.3	D422 F425 F434 I435 R470 Y713 R826	D422-Y432 WeakPolarHBondContact CA-OH 3.4Å; D422-Y432 VanDerWaalsContact CB-OH 3.26Å; D422-Y432 WeakPolarHBondContact CB-OH 3.27Å; D422-Y432 PolarHBondContact OD1-OH 3.47Å; F425-Y432 HydrophobicContact CB-CD1 3.49Å; F425-Y432 VanDerWaalsContact CB-CD1 3.49Å; F425-Y432 HydrophobicContact CB-CE1 3.62Å; F425-Y432 AromaticContact CD1-CD1 3.68Å; F425-Y432 HydrophobicContact CD1-CD1 3.68Å; F425-Y432 HydrophobicContact CD1-CE1 4.45Å; F425-Y432 HydrophobicContact CD1-CG 4.24Å; F425-Y432 AromaticContact CD2-CD1 3.38Å; F425-Y432 HydrophobicContact CD2-CD1 3.38Å; F425-Y432 AromaticContact CD2-CE1 3.36Å; F425-Y432 HydrophobicContact CD2-CE1 3.36Å; F425-Y432 HydrophobicContact CD2-CG 4.12Å; F425-Y432 HydrophobicContact CE1-CD1 4.29Å; F425-Y432 HydrophobicContact CE1-CG 4.45Å; F425-Y432 HydrophobicContact CE2-CD1 4.03Å; F425-Y432 HydrophobicContact CE2-CE1 4.18Å; F425-Y432 HydrophobicContact CE2-CG 4.33Å; F425-Y432 AromaticContact CG-CD1 3.21Å; F425-Y432 HydrophobicContact CG-CD1 3.21Å; F425-Y432 AromaticContact CG-CE1 3.56Å; F425-Y432 HydrophobicContact CG-CE1 3.56Å; F425-Y432 HydrophobicContact CG-CG 4.11Å; F425-Y432 HydrophobicContact CZ-CD1 4.45Å; Y432-F434 WeakPolarHBondContact CD2-O 3.21Å; Y432-I435 HydrophobicContact CE2-CB 3.82Å; Y432-I435 HydrophobicContact CE2-CG2 4.45Å; Y432-R470 VanDerWaalsContact CD1-CZ 3.45Å; Y432-R470 VanDerWaalsContact CD1-NE 3.33Å; Y432-R470 HydrophobicContact CE2-CG 4.47Å; Y432-R470 VanDerWaalsContact CZ-CD 3.4Å; Y432-R470 PolarHBondContact O-NE 2.91Å; Y432-Y713 WeakPolarHBondContact CA-OH 3.43Å; Y432-Y713 PolarHBondContact N-OH 2.86Å; Y432-R826 PolarHBondContact N-O 3.15Å; Y432-R826 VanDerWaalsContact O-O 3.1Å
433	D	98.9	Very high	98.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-107	-37.1	-178.8	-85.9	-104.3	0	0	0	112.6	A401 Y405 K471 Y713 S828	A401-D433 WeakPolarHBondContact CA-OD1 3.47Å; A401-D433 HydrophobicContact CB-CB 4.39Å; A401-D433 WeakPolarHBondContact CB-OD1 3.35Å; A401-D433 WeakPolarHBondContact O-CB 3.36Å; Y405-D433 PolarHBondContact O-N 3.31Å; D433-K471 PolarHBondContact O-N 3.45Å; D433-Y713 PolarHBondContact N-OH 3.35Å; D433-Y713 WeakPolarHBondContact OD2-CE1 3.16Å; D433-Y713 VanDerWaalsContact OD2-CZ 3.22Å; D433-Y713 PolarHBondContact OD2-OH 2.78Å; D433-S828 VanDerWaalsContact OD1-CB 3.29Å; D433-S828 WeakPolarHBondContact OD1-CB 3.31Å; D433-S828 PolarHBondContact OD1-N 3.01Å; D433-S828 PolarHBondContact OD1-OG 2.96Å; D433-S828 PolarHBondContact OD2-N 3.49Å
434	F	98.9	Very high	98.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.9	-175.1	-73.9	-96.5	0	0	0	113.2	A401 Y405 H406 Q407 Y432 K471 V473 Y547 F606	A401-F434 HydrophobicContact CB-CE2 3.85Å; A401-F434 HydrophobicContact CB-CZ 4.41Å; A401-F434 WeakPolarHBondContact O-CE2 3.32Å; Y405-F434 PolarHBondContact O-N 2.94Å; H406-F434 HydrophobicContact CB-CB 4.36Å; H406-F434 AromaticContact CE1-CD2 3.27Å; H406-F434 WeakPolarHBondContact CE1-CD2 3.36Å; H406-F434 AromaticContact CE1-CE2 3.82Å; H406-F434 AromaticContact CE1-CG 3.64Å; H406-F434 WeakPolarHBondContact ND1-CB 3.41Å; H406-F434 AromaticContact ND1-CD2 3.64Å; H406-F434 AromaticContact ND1-CG 3.56Å; H406-F434 AromaticContact NE2-CD2 3.82Å; Q407-F434 PolarHBondContact N-O 3.14Å; Y432-F434 WeakPolarHBondContact CD2-O 3.21Å; F434-K471 WeakPolarHBondContact CA-O 3.47Å; F434-K471 HydrophobicContact CD1-CB 3.5Å; F434-K471 VanDerWaalsContact CD1-CB 3.5Å; F434-K471 HydrophobicContact CD2-CB 4.42Å; F434-K471 HydrophobicContact CE1-CB 3.3Å; F434-K471 HydrophobicContact CE1-CG 4.04Å; F434-K471 HydrophobicContact CE2-CB 4.21Å; F434-K471 HydrophobicContact CE2-CG 4.31Å; F434-K471 HydrophobicContact CG-CB 4.09Å; F434-K471 HydrophobicContact CZ-CB 3.69Å; F434-K471 HydrophobicContact CZ-CG 3.9Å; F434-V473 HydrophobicContact CD1-CG2 3.58Å; F434-V473 HydrophobicContact CE1-CG2 3.95Å; F434-Y547 AromaticContact CE1-CD2 3.57Å; F434-Y547 HydrophobicContact CE1-CD2 3.57Å; F434-Y547 HydrophobicContact CE1-CE2 4.12Å; F434-Y547 HydrophobicContact CE1-CG 4.01Å; F434-Y547 HydrophobicContact CZ-CD2 4.11Å; F434-Y547 HydrophobicContact CZ-CE2 4.25Å; F434-F606 HydrophobicContact CE1-CD1 4.16Å; F434-F606 HydrophobicContact CZ-CD1 4.31Å
435	I	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.7	161.9	-168.5	159.9	0	0	0	109.6	Q407 Y412 V418 V421 Y432 L465 K471 M472 V473	Q407-I435 WeakPolarHBondContact O-CA 3.32Å; Y412-I435 HydrophobicContact CD2-CD1 4.09Å; Y412-I435 HydrophobicContact CD2-CG1 3.89Å; Y412-I435 HydrophobicContact CE2-CD1 3.82Å; Y412-I435 HydrophobicContact CE2-CG1 3.58Å; V418-I435 HydrophobicContact CG1-CD1 4.15Å; V418-I435 HydrophobicContact CG1-CG2 4.22Å; V421-I435 HydrophobicContact CB-CD1 3.88Å; V421-I435 HydrophobicContact CG1-CD1 3.57Å; Y432-I435 HydrophobicContact CE2-CB 3.82Å; Y432-I435 HydrophobicContact CE2-CG2 4.45Å; I435-L465 HydrophobicContact CG2-CD1 3.53Å; I435-L465 HydrophobicContact CG2-CD2 3.99Å; I435-L465 HydrophobicContact CG2-CG 4.44Å; I435-K471 PolarHBondContact N-O 2.87Å; I435-K471 VanDerWaalsContact N-O 3.15Å; I435-M472 HydrophobicContact CG2-CE 4.13Å; I435-M472 VanDerWaalsContact O-CA 3.23Å; I435-M472 WeakPolarHBondContact O-CA 3.35Å; I435-V473 PolarHBondContact O-N 2.64Å
436	W	98.9	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.7	-166.7	-69.3	58.3	0	0	0	112.2	H406 Q407 C408 Y412 V473 W549 F606 L608 F680	H406-W436 HydrophobicContact CB-CZ2 4.39Å; H406-W436 AromaticContact CG-NE1 3.66Å; H406-W436 AromaticContact ND1-CE2 3.56Å; H406-W436 AromaticContact ND1-CZ2 3.33Å; H406-W436 VanDerWaalsContact ND1-CZ2 3.33Å; H406-W436 WeakPolarHBondContact ND1-CZ2 3.37Å; H406-W436 AromaticContact ND1-NE1 3.21Å; H406-W436 PolarHBondContact ND1-NE1 2.98Å; Q407-W436 VanDerWaalsContact O-CD1 3.26Å; Q407-W436 PolarHBondContact O-N 3.22Å; C408-W436 HydrophobicContact CB-CB 3.54Å; C408-W436 HydrophobicContact CB-CD2 4.37Å; C408-W436 HydrophobicContact CB-CG 3.78Å; C408-W436 WeakPolarHBondContact SG-CB 3.24Å; Y412-W436 VanDerWaalsContact CD2-O 3.31Å; Y412-W436 WeakPolarHBondContact CD2-O 3.27Å; W436-V473 CarbonylContact C-O 3.59Å; W436-V473 WeakPolarHBondContact CA-O 3.34Å; W436-V473 HydrophobicContact CD2-CB 3.61Å; W436-V473 HydrophobicContact CD2-CG1 3.8Å; W436-V473 HydrophobicContact CD2-CG2 4.16Å; W436-V473 HydrophobicContact CE3-CB 3.83Å; W436-V473 HydrophobicContact CE3-CG1 3.43Å; W436-V473 VanDerWaalsContact CE3-CG1 3.43Å; W436-V473 HydrophobicContact CG-CB 4.01Å; W436-V473 HydrophobicContact CH2-CB 4.35Å; W436-V473 HydrophobicContact CH2-CG1 3.91Å; W436-V473 HydrophobicContact CH2-CG2 4.22Å; W436-V473 HydrophobicContact CZ2-CB 4.21Å; W436-V473 HydrophobicContact CZ2-CG1 4.28Å; W436-V473 HydrophobicContact CZ2-CG2 3.88Å; W436-V473 HydrophobicContact CZ3-CB 4.2Å; W436-V473 HydrophobicContact CZ3-CG1 3.51Å; W436-W549 HydrophobicContact CE3-CB 4.21Å; W436-W549 HydrophobicContact CE3-CD2 4.19Å; W436-W549 AromaticContact CE3-CE3 3.87Å; W436-W549 HydrophobicContact CE3-CE3 3.87Å; W436-W549 HydrophobicContact CE3-CG 4.34Å; W436-W549 HydrophobicContact CZ3-CB 3.66Å; W436-W549 AromaticContact CZ3-CD2 3.97Å; W436-W549 HydrophobicContact CZ3-CD2 3.97Å; W436-W549 HydrophobicContact CZ3-CE3 4.14Å; W436-W549 AromaticContact CZ3-CG 3.76Å; W436-W549 HydrophobicContact CZ3-CG 3.76Å; W436-F606 AromaticContact CH2-CE1 3.94Å; W436-F606 HydrophobicContact CH2-CE1 3.94Å; W436-F606 HydrophobicContact CH2-CZ 4.06Å; W436-F606 AromaticContact CZ2-CE1 3.75Å; W436-F606 HydrophobicContact CZ2-CE1 3.75Å; W436-F606 AromaticContact CZ2-CZ 3.91Å; W436-F606 HydrophobicContact CZ2-CZ 3.91Å; W436-L608 HydrophobicContact CH2-CB 3.72Å; W436-L608 HydrophobicContact CH2-CD2 3.44Å; W436-L608 VanDerWaalsContact CH2-CD2 3.44Å; W436-L608 HydrophobicContact CH2-CG 4.16Å; W436-L608 HydrophobicContact CZ3-CB 4.15Å; W436-L608 HydrophobicContact CZ3-CD2 3.53Å; W436-L608 HydrophobicContact CZ3-CG 4.47Å; W436-F680 HydrophobicContact CH2-CE2 4.48Å; W436-F680 AromaticContact CH2-CZ 3.89Å; W436-F680 HydrophobicContact CH2-CZ 3.89Å; W436-F680 HydrophobicContact CZ2-CE2 4.16Å; W436-F680 AromaticContact CZ2-CZ 3.82Å; W436-F680 HydrophobicContact CZ2-CZ 3.82Å
437	L	98.9	Very high	98.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.3	173.7	-66.5	-177.1	0	0	0	110.3	V418 H441 W450 F455 M461 M472 V473 I475	V418-L437 HydrophobicContact CG2-CD2 3.84Å; L437-H441 HydrophobicContact CB-CB 3.91Å; L437-H441 HydrophobicContact CD1-CB 4.01Å; L437-H441 HydrophobicContact CG-CB 4.39Å; L437-W450 HydrophobicContact CD1-CZ3 3.72Å; L437-F455 HydrophobicContact CD1-CD1 4.31Å; L437-F455 HydrophobicContact CD1-CE1 3.93Å; L437-F455 HydrophobicContact CD1-CZ 4.43Å; L437-F455 HydrophobicContact CD2-CE1 3.83Å; L437-F455 HydrophobicContact CD2-CZ 3.86Å; L437-M461 HydrophobicContact CD1-CE 3.87Å; L437-M472 HydrophobicContact CD1-CE 4Å; L437-M472 HydrophobicContact CD1-SD 3.42Å; L437-M472 WeakPolarHBondContact CD1-SD 3.38Å; L437-M472 HydrophobicContact CG-CE 4.22Å; L437-M472 HydrophobicContact CG-CG 4.47Å; L437-M472 HydrophobicContact CG-SD 3.88Å; L437-V473 PolarHBondContact N-O 3.31Å; L437-I475 PolarHBondContact O-N 2.6Å
438	D	98.7	Very high	98.7	Very high	7 Å²	7	18.6 Å²	18.6	4%	0.037	10%	0.098	C	C	.	.			trans	-81.7	-176.2	172.9	-162.9	-15.9	0	0	0	110.3	W410 N411 E440 H441 I475 W549 H684	W410-D438 VanDerWaalsContact CB-OD2 3.24Å; W410-D438 WeakPolarHBondContact CB-OD2 3.42Å; N411-D438 PolarHBondContact ND2-N 2.77Å; N411-D438 PolarHBondContact ND2-O 2.77Å; N411-D438 VanDerWaalsContact OD1-CB 3.3Å; N411-D438 WeakPolarHBondContact OD1-CB 3.37Å; D438-E440 PolarHBondContact O-N 2.95Å; D438-H441 PolarHBondContact O-N 3.16Å; D438-H441 PolarHBondContact O-ND1 3.3Å; D438-I475 VanDerWaalsContact C-CG2 3.47Å; D438-W549 HydrophobicContact CB-CZ3 4.01Å; D438-H684 IonicContact OD2-CE1 3.52Å; D438-H684 PolarHBondContact OD2-CE1 2.94Å; D438-H684 VanDerWaalsContact OD2-CE1 3.25Å; D438-H684 IonicContact OD2-NE2 3.82Å
439	I	98.4	Very high	98.7	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-58.4	-24.1	-160	60	173.6	0	0	0	115.4	W410 N411 H441 T442 I475 W512	W410-I439 HydrophobicContact CH2-CD1 4.45Å; W410-I439 HydrophobicContact CZ2-CD1 3.73Å; W410-I439 HydrophobicContact CZ2-CG1 4.37Å; N411-I439 PolarHBondContact OD1-N 2.8Å; I439-H441 PolarHBondContact O-N 2.75Å; I439-H441 VanDerWaalsContact O-N 3.15Å; I439-T442 PolarHBondContact O-N 3.01Å; I439-T442 PolarHBondContact O-OG1 3.38Å; I439-I475 HydrophobicContact CB-CG2 4.37Å; I439-I475 HydrophobicContact CG2-CD1 3.76Å; I439-I475 HydrophobicContact CG2-CG2 3.78Å; I439-W512 HydrophobicContact CD1-CB 4.24Å; I439-W512 HydrophobicContact CD1-CD2 3.77Å; I439-W512 HydrophobicContact CD1-CE3 4.23Å; I439-W512 HydrophobicContact CD1-CG 3.78Å
440	E	98.6	Very high	98.7	Very high	43 Å²	43	15.2 Å²	15.2	20%	0.201	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-70.5	-5.1	-179.7	-54.3	-57.9	140.7	0	0	114.7	N411 D438 T442 K445	N411-E440 HydrophobicContact CB-CB 3.67Å; N411-E440 HydrophobicContact CB-CG 3.7Å; N411-E440 VanDerWaalsContact CG-CG 3.48Å; N411-E440 PolarHBondContact ND2-N 3.24Å; N411-E440 WeakPolarHBondContact OD1-CB 3.41Å; N411-E440 WeakPolarHBondContact OD1-CG 3.26Å; N411-E440 PolarHBondContact OD1-N 2.9Å; N411-E440 VanDerWaalsContact OD1-N 3.13Å; D438-E440 PolarHBondContact O-N 2.95Å; E440-T442 VanDerWaalsContact C-N 3.31Å; E440-K445 VanDerWaalsContact OE1-CE 3.31Å; E440-K445 WeakPolarHBondContact OE1-CE 3.36Å; E440-K445 IonicContact OE1-NZ 3.91Å; E440-K445 PolarHBondContact OE1-NZ 3.03Å; E440-K445 IonicContact OE2-NZ 3.72Å; E440-K445 PolarHBondContact OE2-NZ 3.2Å
441	H	98.8	Very high	98.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-76.8	-18	173.7	82.5	-83.5	0	0	0	113.9	L437 D438 I439 W450 D451 F455 I475	L437-H441 HydrophobicContact CB-CB 3.91Å; L437-H441 HydrophobicContact CD1-CB 4.01Å; L437-H441 HydrophobicContact CG-CB 4.39Å; D438-H441 PolarHBondContact O-N 3.16Å; D438-H441 PolarHBondContact O-ND1 3.3Å; I439-H441 PolarHBondContact O-N 2.75Å; I439-H441 VanDerWaalsContact O-N 3.15Å; H441-W450 AromaticContact CD2-CE3 3.82Å; H441-W450 AromaticContact CD2-CZ3 3.86Å; H441-W450 CarbonylContact O-C 3.48Å; H441-W450 WeakPolarHBondContact O-CA 3.22Å; H441-D451 PolarHBondContact O-N 2.83Å; H441-F455 VanDerWaalsContact CA-CE2 3.47Å; H441-F455 HydrophobicContact CB-CD2 3.94Å; H441-F455 HydrophobicContact CB-CE2 3.68Å; H441-F455 HydrophobicContact CB-CZ 4.07Å; H441-I475 PolarHBondContact CE1-O 2.99Å
442	T	98.8	Very high	98.6	Very high	3 Å²	3	20 Å²	20	2%	0.018	11%	0.11	C	C	.	.	S	Bend	trans	-82.7	156.5	-176.2	62.6	0	0	0	0	112.3	I439 E440 G444 K445 Y447	I439-T442 PolarHBondContact O-N 3.01Å; I439-T442 PolarHBondContact O-OG1 3.38Å; E440-T442 VanDerWaalsContact C-N 3.31Å; T442-G444 PolarHBondContact O-N 3.41Å; T442-K445 WeakPolarHBondContact OG1-CA 3.38Å; T442-K445 PolarHBondContact OG1-N 3.47Å; T442-Y447 HydrophobicContact CG2-CD1 4.25Å
443	D	98.3	Very high	98.6	Very high	66 Å²	66	28.1 Å²	28.1	35%	0.353	15%	0.148	S	C	.	.	B	Isolated β-bridge	trans	-74.3	93.3	167.9	174.3	13.6	0	0	0	110.2	K445 R446 T449	D443-K445 VanDerWaalsContact C-N 3.3Å; D443-K445 PolarHBondContact O-N 3.24Å; D443-R446 WeakPolarHBondContact O-CB 3.27Å; D443-R446 WeakPolarHBondContact O-CG 3.29Å; D443-R446 PolarHBondContact O-N 2.9Å; D443-R446 PolarHBondContact O-NH1 2.89Å; D443-R446 IonicContact OD1-NH1 2.8Å; D443-R446 PolarHBondContact OD1-NH1 3.12Å; D443-R446 IonicContact OD2-NH1 3.86Å; D443-T449 WeakPolarHBondContact CB-OG1 3.34Å; D443-T449 PolarHBondContact N-OG1 2.98Å
444	G	97.3	Very high	98.5	Very high	32 Å²	32	31.6 Å²	31.6	33%	0.33	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	36.5	173.6	0	0	0	0	0	113.5	T442 R446	T442-G444 PolarHBondContact O-N 3.41Å; G444-R446 VanDerWaalsContact C-N 3.29Å; G444-R446 PolarHBondContact O-N 2.74Å
445	K	98.4	Very high	98.5	Very high	39 Å²	39	31.7 Å²	31.7	17%	0.17	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	31.2	-179.4	-71.4	69.3	176.3	-174.3	0	113	E440 T442 D443 W512 P513	E440-K445 VanDerWaalsContact OE1-CE 3.31Å; E440-K445 WeakPolarHBondContact OE1-CE 3.36Å; E440-K445 IonicContact OE1-NZ 3.91Å; E440-K445 PolarHBondContact OE1-NZ 3.03Å; E440-K445 IonicContact OE2-NZ 3.72Å; E440-K445 PolarHBondContact OE2-NZ 3.2Å; T442-K445 WeakPolarHBondContact OG1-CA 3.38Å; T442-K445 PolarHBondContact OG1-N 3.47Å; D443-K445 VanDerWaalsContact C-N 3.3Å; D443-K445 PolarHBondContact O-N 3.24Å; K445-W512 HydrophobicContact CB-CB 4.42Å; K445-W512 HydrophobicContact CG-CB 3.92Å; K445-P513 HydrophobicContact CB-CB 3.67Å; K445-P513 HydrophobicContact CB-CG 4.42Å
446	R	98.8	Very high	98.4	Very high	46 Å²	46	34.9 Å²	34.9	17%	0.174	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-91.4	106.4	164	-63.1	176	-168.1	89.6	-8	107.9	D443 G444 T449 K481 D483 Y486	D443-R446 WeakPolarHBondContact O-CB 3.27Å; D443-R446 WeakPolarHBondContact O-CG 3.29Å; D443-R446 PolarHBondContact O-N 2.9Å; D443-R446 PolarHBondContact O-NH1 2.89Å; D443-R446 IonicContact OD1-NH1 2.8Å; D443-R446 PolarHBondContact OD1-NH1 3.12Å; D443-R446 IonicContact OD2-NH1 3.86Å; G444-R446 VanDerWaalsContact C-N 3.29Å; G444-R446 PolarHBondContact O-N 2.74Å; R446-T449 HydrophobicContact CB-CG2 3.97Å; R446-T449 WeakPolarHBondContact O-CB 3.33Å; R446-T449 PolarHBondContact O-OG1 2.9Å; R446-K481 HydrophobicContact CG-CB 4.22Å; R446-K481 HydrophobicContact CG-CD 3.69Å; R446-D483 IonicContact CZ-OD2 2.88Å; R446-D483 IonicContact NE-OD2 3.29Å; R446-D483 PolarHBondContact NE-OD2 3.4Å; R446-D483 IonicContact NH2-OD2 3.68Å; R446-D483 PolarHBondContact NH2-OD2 3.15Å; R446-Y486 HydrophobicContact CB-CD1 4.36Å; R446-Y486 HydrophobicContact CB-CD2 4.1Å; R446-Y486 HydrophobicContact CB-CE1 4.09Å; R446-Y486 HydrophobicContact CB-CE2 3.84Å; R446-Y486 HydrophobicContact CB-CG 4.37Å; R446-Y486 HydrophobicContact CG-CD1 4.05Å; R446-Y486 HydrophobicContact CG-CD2 4.27Å; R446-Y486 HydrophobicContact CG-CE1 4.21Å; R446-Y486 HydrophobicContact CG-CE2 4.45Å; R446-Y486 HydrophobicContact CG-CG 4.09Å
447	Y	98.7	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	163.1	175.7	-57.3	-69.8	0	0	0	112	T442 T449 V476 D477 H479 I480 Y486	T442-Y447 HydrophobicContact CG2-CD1 4.25Å; Y447-T449 PolarHBondContact O-N 3.29Å; Y447-V476 HydrophobicContact CG-CG1 4.44Å; Y447-D477 WeakPolarHBondContact CD2-O 3.48Å; Y447-D477 HydrophobicContact CE1-CB 3.97Å; Y447-D477 HydrophobicContact CE2-CB 3.78Å; Y447-D477 VanDerWaalsContact CZ-CB 3.42Å; Y447-D477 WeakPolarHBondContact OH-CB 3.31Å; Y447-D477 VanDerWaalsContact OH-CG 3.29Å; Y447-D477 PolarHBondContact OH-OD2 3.17Å; Y447-H479 WeakPolarHBondContact CD2-O 3.27Å; Y447-H479 AromaticContact CE2-CD2 3.84Å; Y447-H479 AromaticContact CE2-NE2 3.74Å; Y447-H479 WeakPolarHBondContact CE2-O 3.27Å; Y447-H479 AromaticContact CZ-NE2 3.76Å; Y447-H479 PolarHBondContact OH-CE1 3.16Å; Y447-H479 PolarHBondContact OH-NE2 2.98Å; Y447-I480 HydrophobicContact CD2-CD1 4.43Å; Y447-Y486 PolarHBondContact N-OH 3.18Å; Y447-Y486 PolarHBondContact O-OH 3.48Å
448	F	98.7	Very high	98.3	Very high	16 Å²	16	38 Å²	38	7%	0.07	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	17.7	-171.2	-51.2	-85.5	0	0	0	114.7	V476 I488 W530 Q533 F534 Y539	F448-V476 HydrophobicContact CD2-CG1 4.47Å; F448-V476 HydrophobicContact CE1-CG1 4.3Å; F448-V476 HydrophobicContact CE2-CG1 3.8Å; F448-V476 HydrophobicContact CZ-CG1 3.7Å; F448-I488 HydrophobicContact CB-CG1 4.46Å; F448-I488 HydrophobicContact CD2-CD1 4.18Å; F448-I488 HydrophobicContact CD2-CG1 4.08Å; F448-I488 HydrophobicContact CG-CD1 4.49Å; F448-W530 HydrophobicContact CE2-CE3 4.21Å; F448-W530 AromaticContact CE2-CH2 3.57Å; F448-W530 HydrophobicContact CE2-CH2 3.57Å; F448-W530 HydrophobicContact CE2-CZ2 4.1Å; F448-W530 AromaticContact CE2-CZ3 3.63Å; F448-W530 HydrophobicContact CE2-CZ3 3.63Å; F448-W530 HydrophobicContact CZ-CD2 4.32Å; F448-W530 HydrophobicContact CZ-CE3 4.27Å; F448-W530 AromaticContact CZ-CH2 3.87Å; F448-W530 HydrophobicContact CZ-CH2 3.87Å; F448-W530 AromaticContact CZ-CZ2 3.91Å; F448-W530 HydrophobicContact CZ-CZ2 3.91Å; F448-W530 HydrophobicContact CZ-CZ3 4.05Å; F448-Q533 HydrophobicContact CD1-CB 4.23Å; F448-Q533 HydrophobicContact CE1-CB 3.8Å; F448-Q533 HydrophobicContact CZ-CB 3.96Å; F448-F534 HydrophobicContact CE1-CD1 4.24Å; F448-F534 HydrophobicContact CE1-CD2 4.22Å; F448-F534 AromaticContact CE1-CE1 3.95Å; F448-F534 HydrophobicContact CE1-CE1 3.95Å; F448-F534 AromaticContact CE1-CE2 3.93Å; F448-F534 HydrophobicContact CE1-CE2 3.93Å; F448-F534 HydrophobicContact CE1-CG 4.36Å; F448-F534 AromaticContact CE1-CZ 3.78Å; F448-F534 HydrophobicContact CE1-CZ 3.78Å; F448-F534 HydrophobicContact CZ-CE1 4.49Å; F448-F534 AromaticContact CZ-CE2 3.95Å; F448-F534 HydrophobicContact CZ-CE2 3.95Å; F448-F534 AromaticContact CZ-CZ 3.9Å; F448-F534 HydrophobicContact CZ-CZ 3.9Å; F448-Y539 HydrophobicContact CB-CD2 4.17Å; F448-Y539 HydrophobicContact CB-CE2 4.4Å; F448-Y539 HydrophobicContact CD1-CD1 4.03Å; F448-Y539 HydrophobicContact CD1-CD2 4.42Å; F448-Y539 HydrophobicContact CD1-CE1 4.43Å; F448-Y539 HydrophobicContact CD1-CG 4.02Å
449	T	98.7	Very high	98.3	Very high	32 Å²	32	43.5 Å²	43.5	20%	0.196	24%	0.235	C	C	.	.			trans	-128.5	170.3	175.5	76.8	0	0	0	0	110.9	D443 R446 Y447 Y486	D443-T449 WeakPolarHBondContact CB-OG1 3.34Å; D443-T449 PolarHBondContact N-OG1 2.98Å; R446-T449 HydrophobicContact CB-CG2 3.97Å; R446-T449 WeakPolarHBondContact O-CB 3.33Å; R446-T449 PolarHBondContact O-OG1 2.9Å; Y447-T449 PolarHBondContact O-N 3.29Å; T449-Y486 HydrophobicContact CG2-CE2 4.2Å
450	W	98.8	Very high	98.3	Very high	29 Å²	29	48.6 Å²	48.6	11%	0.11	26%	0.258	C	S	.	.			trans	-126.9	139.1	176.8	-56.2	89.3	0	0	0	109	L437 H441 P452 F455 P458 M461 Y539 E540 L546	L437-W450 HydrophobicContact CD1-CZ3 3.72Å; H441-W450 AromaticContact CD2-CE3 3.82Å; H441-W450 AromaticContact CD2-CZ3 3.86Å; H441-W450 CarbonylContact O-C 3.48Å; H441-W450 WeakPolarHBondContact O-CA 3.22Å; W450-P452 WeakPolarHBondContact O-CD 3.48Å; W450-F455 HydrophobicContact CB-CB 4.19Å; W450-F455 HydrophobicContact CE3-CB 4.05Å; W450-F455 HydrophobicContact CE3-CG 4.41Å; W450-P458 HydrophobicContact CD2-CB 3.63Å; W450-P458 HydrophobicContact CD2-CG 3.94Å; W450-P458 HydrophobicContact CE3-CB 3.84Å; W450-P458 HydrophobicContact CG-CB 4.15Å; W450-P458 HydrophobicContact CG-CG 3.92Å; W450-P458 HydrophobicContact CH2-CB 4.14Å; W450-P458 HydrophobicContact CZ2-CB 3.95Å; W450-P458 HydrophobicContact CZ3-CB 4.07Å; W450-M461 HydrophobicContact CZ3-CE 4.06Å; W450-Y539 HydrophobicContact CZ2-CE2 4.12Å; W450-Y539 AromaticContact NE1-CE2 3.71Å; W450-E540 VanDerWaalsContact CD1-O 3.31Å; W450-E540 PolarHBondContact NE1-O 3.42Å; W450-L546 HydrophobicContact CH2-CD2 4.15Å; W450-L546 HydrophobicContact CZ2-CD2 3.97Å
451	D	98.6	Very high	98.3	Very high	29 Å²	29	47.3 Å²	47.3	16%	0.155	25%	0.253	C	S	.	.			trans	-59.2	119.6	170.8	179.6	-58.1	0	0	0	108.6	H441 H453 K454 F455	H441-D451 PolarHBondContact O-N 2.83Å; D451-H453 PolarHBondContact O-N 3.42Å; D451-H453 VanDerWaalsContact O-N 3.13Å; D451-H453 WeakPolarHBondContact OD1-CA 3.21Å; D451-H453 WeakPolarHBondContact OD1-CB 3.32Å; D451-H453 PolarHBondContact OD1-N 3.21Å; D451-K454 HydrophobicContact CB-CB 4.13Å; D451-K454 HydrophobicContact CB-CD 4.26Å; D451-K454 HydrophobicContact CB-CG 4.48Å; D451-K454 PolarHBondContact OD1-N 2.9Å; D451-F455 HydrophobicContact CB-CD2 4.34Å; D451-F455 CarbonylContact O-C 3.53Å; D451-F455 WeakPolarHBondContact O-CA 3.41Å; D451-F455 PolarHBondContact O-N 2.87Å
452	P	97.8	Very high	98.3	Very high	74 Å²	74	47.3 Å²	47.3	48%	0.481	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.1	-170.1	29.2	-36.5	0	0	0	113.5	W450 A456	W450-P452 WeakPolarHBondContact O-CD 3.48Å; P452-A456 WeakPolarHBondContact O-CB 3.29Å
453	H	97.8	Very high	98.3	Very high	172 Å²	172	51.4 Å²	51.4	80%	0.796	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-43.8	178.4	-62	-57	0	0	0	111.9	D451	D451-H453 PolarHBondContact O-N 3.42Å; D451-H453 VanDerWaalsContact O-N 3.13Å; D451-H453 WeakPolarHBondContact OD1-CA 3.21Å; D451-H453 WeakPolarHBondContact OD1-CB 3.32Å; D451-H453 PolarHBondContact OD1-N 3.21Å
454	K	98.3	Very high	98.3	Very high	72 Å²	72	50 Å²	50	31%	0.313	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-34.9	-179.3	-62.8	169.9	178.3	177.7	0	112.5	N413 D414 Q415 D451	N413-K454 WeakPolarHBondContact O-CD 3.49Å; D414-K454 WeakPolarHBondContact CA-O 3.41Å; D414-K454 HydrophobicContact CB-CB 3.95Å; D414-K454 HydrophobicContact CB-CG 4.47Å; D414-K454 VanDerWaalsContact CB-O 3.32Å; D414-K454 WeakPolarHBondContact CB-O 3.25Å; Q415-K454 WeakPolarHBondContact CG-O 3.17Å; Q415-K454 PolarHBondContact N-O 3Å; Q415-K454 VanDerWaalsContact N-O 3.1Å; D451-K454 HydrophobicContact CB-CB 4.13Å; D451-K454 HydrophobicContact CB-CD 4.26Å; D451-K454 HydrophobicContact CB-CG 4.48Å; D451-K454 PolarHBondContact OD1-N 2.9Å
455	F	98.4	Very high	98.4	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.013	26%	0.257	C	S	.	.	S	Bend	trans	-129.6	52.9	-173.6	-60.6	-82.1	0	0	0	111.5	Q415 V418 L437 H441 W450 D451 S457 P458 M461	Q415-F455 HydrophobicContact CG-CB 4.44Å; Q415-F455 HydrophobicContact CG-CD1 3.71Å; Q415-F455 HydrophobicContact CG-CE1 4.4Å; Q415-F455 HydrophobicContact CG-CG 4.41Å; V418-F455 HydrophobicContact CG2-CE1 4.37Å; L437-F455 HydrophobicContact CD1-CD1 4.31Å; L437-F455 HydrophobicContact CD1-CE1 3.93Å; L437-F455 HydrophobicContact CD1-CZ 4.43Å; L437-F455 HydrophobicContact CD2-CE1 3.83Å; L437-F455 HydrophobicContact CD2-CZ 3.86Å; H441-F455 VanDerWaalsContact CA-CE2 3.47Å; H441-F455 HydrophobicContact CB-CD2 3.94Å; H441-F455 HydrophobicContact CB-CE2 3.68Å; H441-F455 HydrophobicContact CB-CZ 4.07Å; W450-F455 HydrophobicContact CB-CB 4.19Å; W450-F455 HydrophobicContact CE3-CB 4.05Å; W450-F455 HydrophobicContact CE3-CG 4.41Å; D451-F455 HydrophobicContact CB-CD2 4.34Å; D451-F455 CarbonylContact O-C 3.53Å; D451-F455 WeakPolarHBondContact O-CA 3.41Å; D451-F455 PolarHBondContact O-N 2.87Å; F455-S457 VanDerWaalsContact C-N 3.29Å; F455-S457 PolarHBondContact O-N 2.84Å; F455-P458 WeakPolarHBondContact O-CD 3.29Å; F455-M461 HydrophobicContact CD1-CE 3.84Å; F455-M461 HydrophobicContact CD1-SD 3.91Å; F455-M461 HydrophobicContact CE1-CE 4.29Å; F455-M461 HydrophobicContact CE1-SD 3.99Å
456	A	97.5	Very high	98.4	Very high	67 Å²	67	48 Å²	48	55%	0.554	26%	0.256	S	S	*	.	S	Bend	trans	-67.8	-21.6	-175.4	0	0	0	0	0	115.1	P452	P452-A456 WeakPolarHBondContact O-CB 3.29Å
457	S	97.8	Very high	98.4	Very high	51 Å²	51	51.1 Å²	51.1	36%	0.357	28%	0.276	S	S	.	.			trans	-135.4	58.8	-174.9	-59.5	0	0	0	0	111.6	Q415 F455 K459 E460 M461	Q415-S457 VanDerWaalsContact OE1-CA 3.23Å; Q415-S457 PolarHBondContact OE1-O 2.94Å; Q415-S457 VanDerWaalsContact OE1-O 3.11Å; F455-S457 VanDerWaalsContact C-N 3.29Å; F455-S457 PolarHBondContact O-N 2.84Å; S457-K459 PolarHBondContact O-N 2.89Å; S457-K459 VanDerWaalsContact O-N 3.13Å; S457-E460 WeakPolarHBondContact O-CB 3.48Å; S457-E460 PolarHBondContact O-N 3.44Å; S457-M461 PolarHBondContact O-N 3.42Å
458	P	98.1	Very high	98.4	Very high	15 Å²	15	53.4 Å²	53.4	10%	0.097	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-32.3	-170.3	24.5	-33.9	0	0	0	112.7	W450 F455 E460 M461 L462	W450-P458 HydrophobicContact CD2-CB 3.63Å; W450-P458 HydrophobicContact CD2-CG 3.94Å; W450-P458 HydrophobicContact CE3-CB 3.84Å; W450-P458 HydrophobicContact CG-CB 4.15Å; W450-P458 HydrophobicContact CG-CG 3.92Å; W450-P458 HydrophobicContact CH2-CB 4.14Å; W450-P458 HydrophobicContact CZ2-CB 3.95Å; W450-P458 HydrophobicContact CZ3-CB 4.07Å; F455-P458 WeakPolarHBondContact O-CD 3.29Å; P458-E460 PolarHBondContact O-N 3.45Å; P458-M461 PolarHBondContact O-N 2.93Å; P458-L462 WeakPolarHBondContact O-CB 3.4Å; P458-L462 VanDerWaalsContact O-CG 3.29Å; P458-L462 WeakPolarHBondContact O-CG 3.44Å; P458-L462 PolarHBondContact O-N 2.96Å
459	K	98.4	Very high	98.4	Very high	123 Å²	123	57.4 Å²	57.4	54%	0.535	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-37.5	174.2	-66	-174.7	177.9	179.9	0	113.1	S457 Q463 G541 T543	S457-K459 PolarHBondContact O-N 2.89Å; S457-K459 VanDerWaalsContact O-N 3.13Å; K459-Q463 VanDerWaalsContact O-CB 3.27Å; K459-Q463 WeakPolarHBondContact O-CB 3.34Å; K459-Q463 PolarHBondContact O-N 3.17Å; K459-G541 WeakPolarHBondContact CG-O 3.13Å; K459-T543 HydrophobicContact CG-CG2 4.32Å
460	E	98.4	Very high	98.4	Very high	108 Å²	108	55.9 Å²	55.9	51%	0.505	29%	0.294	S	S	.	.	H	α-helix	trans	-68.3	-44.4	177	-173.4	-167	146.6	0	0	110.6	R419 S457 P458 Q463 G464	R419-E460 IonicContact NH2-OE1 2.87Å; R419-E460 PolarHBondContact NH2-OE1 3.13Å; S457-E460 WeakPolarHBondContact O-CB 3.48Å; S457-E460 PolarHBondContact O-N 3.44Å; P458-E460 PolarHBondContact O-N 3.45Å; E460-Q463 PolarHBondContact O-N 2.92Å; E460-G464 PolarHBondContact O-N 3.14Å
461	M	98.6	Very high	98.4	Very high	16 Å²	16	56 Å²	56	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-48	175.3	176.7	-179	61.6	0	0	111.4	Q415 V418 L437 W450 F455 S457 P458 G464 L465 M472	Q415-M461 HydrophobicContact CB-SD 4.27Å; Q415-M461 HydrophobicContact CG-CB 4.22Å; Q415-M461 HydrophobicContact CG-CG 4.49Å; Q415-M461 HydrophobicContact CG-SD 3.82Å; V418-M461 HydrophobicContact CB-SD 4.02Å; V418-M461 HydrophobicContact CG1-CG 3.96Å; V418-M461 HydrophobicContact CG1-SD 3.9Å; V418-M461 HydrophobicContact CG2-SD 3.97Å; L437-M461 HydrophobicContact CD1-CE 3.87Å; W450-M461 HydrophobicContact CZ3-CE 4.06Å; F455-M461 HydrophobicContact CD1-CE 3.84Å; F455-M461 HydrophobicContact CD1-SD 3.91Å; F455-M461 HydrophobicContact CE1-CE 4.29Å; F455-M461 HydrophobicContact CE1-SD 3.99Å; S457-M461 PolarHBondContact O-N 3.42Å; P458-M461 PolarHBondContact O-N 2.93Å; M461-G464 PolarHBondContact O-N 3Å; M461-L465 PolarHBondContact O-N 3.46Å; M461-M472 HydrophobicContact CE-CE 3.56Å; M461-M472 HydrophobicContact CE-SD 3.73Å; M461-M472 HydrophobicContact CG-CE 3.95Å; M461-M472 HydrophobicContact SD-CE 3.66Å
462	L	98.8	Very high	98.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-39.7	177.7	-72.3	165.4	0	0	0	112	P458 G464 L465 L466 M472 G541 T543 N545 L546	P458-L462 WeakPolarHBondContact O-CB 3.4Å; P458-L462 VanDerWaalsContact O-CG 3.29Å; P458-L462 WeakPolarHBondContact O-CG 3.44Å; P458-L462 PolarHBondContact O-N 2.96Å; L462-G464 VanDerWaalsContact C-N 3.35Å; L462-G464 PolarHBondContact O-N 3.12Å; L462-L465 PolarHBondContact O-N 3.21Å; L462-L466 WeakPolarHBondContact O-CB 3.24Å; L462-L466 PolarHBondContact O-N 2.8Å; L462-M472 HydrophobicContact CD2-CB 3.55Å; L462-M472 HydrophobicContact CD2-CE 4.4Å; L462-M472 HydrophobicContact CD2-CG 4.16Å; L462-M472 HydrophobicContact CD2-SD 3.72Å; L462-M472 HydrophobicContact CG-SD 4.47Å; L462-G541 VanDerWaalsContact CD1-O 3.31Å; L462-G541 WeakPolarHBondContact CD1-O 3.33Å; L462-T543 HydrophobicContact CB-CG2 4.47Å; L462-T543 WeakPolarHBondContact CB-OG1 3.49Å; L462-T543 HydrophobicContact CD1-CG2 4.32Å; L462-T543 WeakPolarHBondContact CD1-OG1 3.16Å; L462-N545 PolarHBondContact O-ND2 3.17Å; L462-L546 HydrophobicContact CD1-CB 4.29Å; L462-L546 HydrophobicContact CD2-CB 4.09Å; L462-L546 HydrophobicContact CD2-CD1 4.26Å
463	Q	98.6	Very high	98.4	Very high	90 Å²	90	51.1 Å²	51.1	42%	0.421	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-41.7	174.7	-173.2	61.7	51.4	0	0	111.7	K459 E460 L465 L466 D467	K459-Q463 VanDerWaalsContact O-CB 3.27Å; K459-Q463 WeakPolarHBondContact O-CB 3.34Å; K459-Q463 PolarHBondContact O-N 3.17Å; E460-Q463 PolarHBondContact O-N 2.92Å; Q463-L465 VanDerWaalsContact C-N 3.29Å; Q463-L465 PolarHBondContact O-N 3.01Å; Q463-L466 WeakPolarHBondContact O-CB 3.28Å; Q463-L466 PolarHBondContact O-N 3.31Å; Q463-L466 VanDerWaalsContact O-N 3.07Å; Q463-D467 PolarHBondContact NE2-OD1 3.42Å; Q463-D467 VanDerWaalsContact O-CG 3.27Å; Q463-D467 PolarHBondContact O-N 3.34Å
464	G	98.4	Very high	98.5	Very high	35 Å²	35	43 Å²	43	36%	0.361	23%	0.228	S	C	.	.	H	α-helix	trans	-59	-38.6	176.7	0	0	0	0	0	113.2	E460 M461 L462	E460-G464 PolarHBondContact O-N 3.14Å; M461-G464 PolarHBondContact O-N 3Å; L462-G464 VanDerWaalsContact C-N 3.35Å; L462-G464 PolarHBondContact O-N 3.12Å
465	L	98.8	Very high	98.5	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-42.3	172.4	-64.7	174.6	0	0	0	111.8	D422 I435 M461 L462 Q463 D467 K468 K469 R470 M472	D422-L465 HydrophobicContact CB-CD2 4.07Å; D422-L465 WeakPolarHBondContact OD1-CD2 3.05Å; I435-L465 HydrophobicContact CG2-CD1 3.53Å; I435-L465 HydrophobicContact CG2-CD2 3.99Å; I435-L465 HydrophobicContact CG2-CG 4.44Å; M461-L465 PolarHBondContact O-N 3.46Å; L462-L465 PolarHBondContact O-N 3.21Å; Q463-L465 VanDerWaalsContact C-N 3.29Å; Q463-L465 PolarHBondContact O-N 3.01Å; L465-D467 VanDerWaalsContact C-N 3.33Å; L465-D467 PolarHBondContact O-N 2.87Å; L465-K468 CarbonylContact O-C 3.43Å; L465-K468 WeakPolarHBondContact O-CA 3.14Å; L465-K468 PolarHBondContact O-N 3.06Å; L465-K468 VanDerWaalsContact O-N 3.09Å; L465-K469 PolarHBondContact O-N 3.34Å; L465-K469 VanDerWaalsContact O-N 3.12Å; L465-R470 CarbonylContact C-O 3.47Å; L465-R470 HydrophobicContact CB-CB 4.18Å; L465-R470 HydrophobicContact CD2-CB 4.38Å; L465-R470 PolarHBondContact O-N 3.29Å; L465-M472 HydrophobicContact CD1-CB 3.99Å; L465-M472 HydrophobicContact CD1-CE 3.57Å
466	L	98.2	Very high	98.5	Very high	26 Å²	26	39.4 Å²	39.4	14%	0.136	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-39.4	179.8	-175.2	60.2	0	0	0	112.2	L462 Q463 K468 K469 E544 N545	L462-L466 WeakPolarHBondContact O-CB 3.24Å; L462-L466 PolarHBondContact O-N 2.8Å; Q463-L466 WeakPolarHBondContact O-CB 3.28Å; Q463-L466 PolarHBondContact O-N 3.31Å; Q463-L466 VanDerWaalsContact O-N 3.07Å; L466-K468 PolarHBondContact O-N 3.04Å; L466-K469 WeakPolarHBondContact O-CA 3.3Å; L466-K469 PolarHBondContact O-N 3.41Å; L466-E544 HydrophobicContact CD2-CG 4.42Å; L466-N545 HydrophobicContact CD1-CB 4.21Å
467	D	98.4	Very high	98.6	Very high	111 Å²	111	36.2 Å²	36.2	59%	0.594	19%	0.186	S	C	*	.	H	α-helix	trans	-60.5	-30.9	175.7	-70.1	-15	0	0	0	111.9	Q463 L465	Q463-D467 PolarHBondContact NE2-OD1 3.42Å; Q463-D467 VanDerWaalsContact O-CG 3.27Å; Q463-D467 PolarHBondContact O-N 3.34Å; L465-D467 VanDerWaalsContact C-N 3.33Å; L465-D467 PolarHBondContact O-N 2.87Å
468	K	98.5	Very high	98.6	Very high	49 Å²	49	33.8 Å²	33.8	21%	0.213	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	7.5	173.2	-64.8	-172	-179.5	-172.6	0	114	D422 D426 L465 L466 R470	D422-K468 WeakPolarHBondContact OD2-CD 3.11Å; D422-K468 VanDerWaalsContact OD2-CE 3.22Å; D422-K468 WeakPolarHBondContact OD2-CE 3.43Å; D422-K468 IonicContact OD2-NZ 3.48Å; D422-K468 PolarHBondContact OD2-NZ 2.88Å; D426-K468 WeakPolarHBondContact OD2-CD 3.42Å; D426-K468 WeakPolarHBondContact OD2-CE 3.46Å; D426-K468 IonicContact OD2-NZ 3.24Å; D426-K468 PolarHBondContact OD2-NZ 3.45Å; L465-K468 CarbonylContact O-C 3.43Å; L465-K468 WeakPolarHBondContact O-CA 3.14Å; L465-K468 PolarHBondContact O-N 3.06Å; L465-K468 VanDerWaalsContact O-N 3.09Å; L466-K468 PolarHBondContact O-N 3.04Å; K468-R470 VanDerWaalsContact C-N 3.35Å
469	K	98.6	Very high	98.7	Very high	100 Å²	100	33.1 Å²	33.1	44%	0.435	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	42.8	-178.4	-50.6	-61.6	-178.6	-175.2	0	112.8	L465 L466 S827 T829	L465-K469 PolarHBondContact O-N 3.34Å; L465-K469 VanDerWaalsContact O-N 3.12Å; L466-K469 WeakPolarHBondContact O-CA 3.3Å; L466-K469 PolarHBondContact O-N 3.41Å; K469-S827 WeakPolarHBondContact O-CB 3.06Å; K469-S827 PolarHBondContact O-OG 3.45Å; K469-T829 HydrophobicContact CB-CG2 3.96Å; K469-T829 HydrophobicContact CD-CG2 4.2Å; K469-T829 HydrophobicContact CG-CG2 4.28Å
470	R	98.9	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.			trans	-120.7	161.4	177.4	-72	169	170.2	154.5	4.2	111.2	D422 D426 Y432 L465 K468 N545	D422-R470 PolarHBondContact O-NH1 3.48Å; D422-R470 VanDerWaalsContact O-NH1 3.13Å; D422-R470 VanDerWaalsContact OD1-CD 3.27Å; D422-R470 WeakPolarHBondContact OD1-CD 3.19Å; D422-R470 IonicContact OD1-CZ 3.12Å; D422-R470 IonicContact OD1-NE 3.59Å; D422-R470 IonicContact OD1-NH1 3.99Å; D422-R470 PolarHBondContact OD1-NH1 2.98Å; D422-R470 IonicContact OD2-NH1 2.88Å; D426-R470 IonicContact OD1-CZ 2.72Å; D426-R470 IonicContact OD1-NH1 2.96Å; D426-R470 PolarHBondContact OD1-NH1 3.38Å; D426-R470 IonicContact OD1-NH2 3.83Å; D426-R470 PolarHBondContact OD1-NH2 3.38Å; D426-R470 IonicContact OD2-NH1 2.99Å; Y432-R470 VanDerWaalsContact CD1-CZ 3.45Å; Y432-R470 VanDerWaalsContact CD1-NE 3.33Å; Y432-R470 HydrophobicContact CE2-CG 4.47Å; Y432-R470 VanDerWaalsContact CZ-CD 3.4Å; Y432-R470 PolarHBondContact O-NE 2.91Å; L465-R470 CarbonylContact C-O 3.47Å; L465-R470 HydrophobicContact CB-CB 4.18Å; L465-R470 HydrophobicContact CD2-CB 4.38Å; L465-R470 PolarHBondContact O-N 3.29Å; K468-R470 VanDerWaalsContact C-N 3.35Å; R470-N545 PolarHBondContact O-ND2 3.38Å
471	K	98.9	Very high	98.7	Very high	32 Å²	32	24.2 Å²	24.2	14%	0.139	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	165.2	-173.9	-49.7	-55.5	175.7	-179.4	0	110.2	D433 F434 I435 N545 Y547	D433-K471 PolarHBondContact O-N 3.45Å; F434-K471 WeakPolarHBondContact CA-O 3.47Å; F434-K471 HydrophobicContact CD1-CB 3.5Å; F434-K471 VanDerWaalsContact CD1-CB 3.5Å; F434-K471 HydrophobicContact CD2-CB 4.42Å; F434-K471 HydrophobicContact CE1-CB 3.3Å; F434-K471 HydrophobicContact CE1-CG 4.04Å; F434-K471 HydrophobicContact CE2-CB 4.21Å; F434-K471 HydrophobicContact CE2-CG 4.31Å; F434-K471 HydrophobicContact CG-CB 4.09Å; F434-K471 HydrophobicContact CZ-CB 3.69Å; F434-K471 HydrophobicContact CZ-CG 3.9Å; I435-K471 PolarHBondContact N-O 2.87Å; I435-K471 VanDerWaalsContact N-O 3.15Å; K471-N545 WeakPolarHBondContact CA-O 3.41Å; K471-N545 HydrophobicContact CD-CB 3.48Å; K471-N545 VanDerWaalsContact CD-CB 3.48Å; K471-Y547 HydrophobicContact CB-CD2 4.3Å; K471-Y547 HydrophobicContact CB-CE2 4.29Å; K471-Y547 HydrophobicContact CD-CE2 4.29Å; K471-Y547 HydrophobicContact CG-CE2 4.21Å
472	M	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.7	174.6	-179.6	170.8	-74.3	0	0	110	V418 I435 L437 M461 L462 L465 N545 L546 Y547	V418-M472 HydrophobicContact CG1-CE 4.02Å; I435-M472 HydrophobicContact CG2-CE 4.13Å; I435-M472 VanDerWaalsContact O-CA 3.23Å; I435-M472 WeakPolarHBondContact O-CA 3.35Å; L437-M472 HydrophobicContact CD1-CE 4Å; L437-M472 HydrophobicContact CD1-SD 3.42Å; L437-M472 WeakPolarHBondContact CD1-SD 3.38Å; L437-M472 HydrophobicContact CG-CE 4.22Å; L437-M472 HydrophobicContact CG-CG 4.47Å; L437-M472 HydrophobicContact CG-SD 3.88Å; M461-M472 HydrophobicContact CE-CE 3.56Å; M461-M472 HydrophobicContact CE-SD 3.73Å; M461-M472 HydrophobicContact CG-CE 3.95Å; M461-M472 HydrophobicContact SD-CE 3.66Å; L462-M472 HydrophobicContact CD2-CB 3.55Å; L462-M472 HydrophobicContact CD2-CE 4.4Å; L462-M472 HydrophobicContact CD2-CG 4.16Å; L462-M472 HydrophobicContact CD2-SD 3.72Å; L462-M472 HydrophobicContact CG-SD 4.47Å; L465-M472 HydrophobicContact CD1-CB 3.99Å; L465-M472 HydrophobicContact CD1-CE 3.57Å; M472-N545 PolarHBondContact N-O 2.96Å; M472-L546 HydrophobicContact CB-CD1 3.98Å; M472-L546 HydrophobicContact CG-CD1 3.74Å; M472-L546 CarbonylContact O-C 3.55Å; M472-L546 WeakPolarHBondContact O-CA 3.06Å; M472-L546 HydrophobicContact SD-CD1 4.15Å; M472-Y547 PolarHBondContact O-N 2.64Å
473	V	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.8	164.5	169.8	0	0	0	0	108.7	F434 I435 W436 L437 Y547 W549 F606	F434-V473 HydrophobicContact CD1-CG2 3.58Å; F434-V473 HydrophobicContact CE1-CG2 3.95Å; I435-V473 PolarHBondContact O-N 2.64Å; W436-V473 CarbonylContact C-O 3.59Å; W436-V473 WeakPolarHBondContact CA-O 3.34Å; W436-V473 HydrophobicContact CD2-CB 3.61Å; W436-V473 HydrophobicContact CD2-CG1 3.8Å; W436-V473 HydrophobicContact CD2-CG2 4.16Å; W436-V473 HydrophobicContact CE3-CB 3.83Å; W436-V473 HydrophobicContact CE3-CG1 3.43Å; W436-V473 VanDerWaalsContact CE3-CG1 3.43Å; W436-V473 HydrophobicContact CG-CB 4.01Å; W436-V473 HydrophobicContact CH2-CB 4.35Å; W436-V473 HydrophobicContact CH2-CG1 3.91Å; W436-V473 HydrophobicContact CH2-CG2 4.22Å; W436-V473 HydrophobicContact CZ2-CB 4.21Å; W436-V473 HydrophobicContact CZ2-CG1 4.28Å; W436-V473 HydrophobicContact CZ2-CG2 3.88Å; W436-V473 HydrophobicContact CZ3-CB 4.2Å; W436-V473 HydrophobicContact CZ3-CG1 3.51Å; L437-V473 PolarHBondContact N-O 3.31Å; V473-Y547 WeakPolarHBondContact CA-O 3.48Å; V473-W549 HydrophobicContact CG1-CB 3.56Å; V473-F606 HydrophobicContact CG2-CD1 3.99Å; V473-F606 HydrophobicContact CG2-CE1 3.72Å
474	A	98.9	Very high	98.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.6	170.2	0	0	0	0	0	110.5	L546 Y547 T548 W549	A474-L546 HydrophobicContact CB-CD1 3.83Å; A474-Y547 PolarHBondContact N-O 3.42Å; A474-T548 WeakPolarHBondContact O-CA 3.49Å; A474-W549 PolarHBondContact O-N 3.01Å
475	I	98.9	Very high	98.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137.6	177.4	-161.3	176.6	0	0	0	111.9	L437 D438 I439 H441 D477 W549 D551	L437-I475 PolarHBondContact O-N 2.6Å; D438-I475 VanDerWaalsContact C-CG2 3.47Å; I439-I475 HydrophobicContact CB-CG2 4.37Å; I439-I475 HydrophobicContact CG2-CD1 3.76Å; I439-I475 HydrophobicContact CG2-CG2 3.78Å; H441-I475 PolarHBondContact CE1-O 2.99Å; I475-D477 VanDerWaalsContact CG1-OD1 3.26Å; I475-D477 WeakPolarHBondContact CG1-OD1 3.14Å; I475-W549 CarbonylContact C-O 3.5Å; I475-W549 WeakPolarHBondContact CA-O 3.31Å; I475-W549 HydrophobicContact CB-CD2 4.11Å; I475-W549 HydrophobicContact CB-CE3 3.68Å; I475-W549 HydrophobicContact CB-CZ3 4.21Å; I475-W549 HydrophobicContact CD1-CD2 3.85Å; I475-W549 HydrophobicContact CD1-CE3 3.69Å; I475-W549 HydrophobicContact CD1-CH2 3.67Å; I475-W549 HydrophobicContact CD1-CZ2 3.83Å; I475-W549 HydrophobicContact CD1-CZ3 3.61Å; I475-W549 HydrophobicContact CG1-CB 4.45Å; I475-W549 HydrophobicContact CG1-CD2 3.7Å; I475-W549 HydrophobicContact CG1-CE3 3.69Å; I475-W549 HydrophobicContact CG1-CG 4.08Å; I475-W549 HydrophobicContact CG1-CZ3 4.14Å; I475-D551 HydrophobicContact CD1-CB 3.66Å; I475-D551 HydrophobicContact CG1-CB 4.16Å
476	V	98.9	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.			trans	-143	104.8	176.6	-177.7	0	0	0	0	108.4	Y447 F448 W530 F534 T548 W549 N550	Y447-V476 HydrophobicContact CG-CG1 4.44Å; F448-V476 HydrophobicContact CD2-CG1 4.47Å; F448-V476 HydrophobicContact CE1-CG1 4.3Å; F448-V476 HydrophobicContact CE2-CG1 3.8Å; F448-V476 HydrophobicContact CZ-CG1 3.7Å; V476-W530 HydrophobicContact CG1-CH2 3.73Å; V476-W530 HydrophobicContact CG1-CZ2 3.47Å; V476-W530 VanDerWaalsContact CG1-CZ2 3.47Å; V476-F534 HydrophobicContact CG1-CZ 4.32Å; V476-F534 HydrophobicContact CG2-CE1 4.46Å; V476-T548 HydrophobicContact CB-CG2 3.86Å; V476-T548 HydrophobicContact CG2-CG2 3.82Å; V476-W549 PolarHBondContact N-O 3.05Å; V476-N550 PolarHBondContact O-ND2 3.32Å
477	D	98.9	Very high	98.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.			trans	-100.1	157.4	-174.8	-52.9	-26.4	0	0	0	112.2	Y447 I475 H479 D551 M552	Y447-D477 WeakPolarHBondContact CD2-O 3.48Å; Y447-D477 HydrophobicContact CE1-CB 3.97Å; Y447-D477 HydrophobicContact CE2-CB 3.78Å; Y447-D477 VanDerWaalsContact CZ-CB 3.42Å; Y447-D477 WeakPolarHBondContact OH-CB 3.31Å; Y447-D477 VanDerWaalsContact OH-CG 3.29Å; Y447-D477 PolarHBondContact OH-OD2 3.17Å; I475-D477 VanDerWaalsContact CG1-OD1 3.26Å; I475-D477 WeakPolarHBondContact CG1-OD1 3.14Å; D477-H479 VanDerWaalsContact CB-CE1 3.46Å; D477-H479 WeakPolarHBondContact CB-CE1 3.25Å; D477-H479 PolarHBondContact O-N 3.24Å; D477-H479 VanDerWaalsContact O-N 3.08Å; D477-H479 IonicContact OD2-CE1 3.99Å; D477-D551 WeakPolarHBondContact OD1-CA 3.31Å; D477-D551 VanDerWaalsContact OD1-CB 3.29Å; D477-D551 WeakPolarHBondContact OD1-CB 3.42Å; D477-D551 PolarHBondContact OD1-N 3.22Å; D477-M552 HydrophobicContact CB-CB 4.24Å; D477-M552 HydrophobicContact CB-CG 4.39Å
478	P	98.7	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-87.4	35.1	-174.2	37.3	-37.3	0	0	0	113	P519 F521 D551 N553 Y583 V587	P478-P519 WeakPolarHBondContact O-CD 3.4Å; P478-F521 HydrophobicContact CB-CD2 4.24Å; P478-F521 HydrophobicContact CB-CE2 3.46Å; P478-F521 VanDerWaalsContact CB-CE2 3.46Å; P478-F521 HydrophobicContact CB-CZ 4.06Å; P478-D551 WeakPolarHBondContact CD-O 3.35Å; P478-N553 HydrophobicContact CG-CB 3.68Å; P478-Y583 HydrophobicContact CB-CE1 4.04Å; P478-Y583 HydrophobicContact CG-CE1 3.95Å; P478-Y583 PolarHBondContact O-OH 2.88Å; P478-V587 HydrophobicContact CB-CG1 4.11Å; P478-V587 HydrophobicContact CB-CG2 3.7Å; P478-V587 HydrophobicContact CG-CG1 4.28Å; P478-V587 HydrophobicContact CG-CG2 3.99Å
479	H	98.8	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.			trans	-126.7	122.9	172.1	59.5	-99.8	0	0	0	109.6	Y447 D477 C511 W512 P513 A516 Y518	Y447-H479 WeakPolarHBondContact CD2-O 3.27Å; Y447-H479 AromaticContact CE2-CD2 3.84Å; Y447-H479 AromaticContact CE2-NE2 3.74Å; Y447-H479 WeakPolarHBondContact CE2-O 3.27Å; Y447-H479 AromaticContact CZ-NE2 3.76Å; Y447-H479 PolarHBondContact OH-CE1 3.16Å; Y447-H479 PolarHBondContact OH-NE2 2.98Å; D477-H479 VanDerWaalsContact CB-CE1 3.46Å; D477-H479 WeakPolarHBondContact CB-CE1 3.25Å; D477-H479 PolarHBondContact O-N 3.24Å; D477-H479 VanDerWaalsContact O-N 3.08Å; D477-H479 IonicContact OD2-CE1 3.99Å; H479-C511 HydrophobicContact CB-CB 4.33Å; H479-C511 PolarHBondContact CE1-SG 3.24Å; H479-W512 AromaticContact CE1-CD1 3.63Å; H479-W512 AromaticContact NE2-CD1 3.68Å; H479-P513 WeakPolarHBondContact CD2-CD 3.31Å; H479-P513 WeakPolarHBondContact NE2-CD 3.5Å; H479-A516 HydrophobicContact CB-CB 4.08Å; H479-Y518 HydrophobicContact CB-CD1 4.1Å; H479-Y518 HydrophobicContact CB-CE1 3.63Å
480	I	98.8	Very high	98.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.1	-166.5	-56.4	-56.7	0	0	0	108.5	Y447 V482 Y486 I488 H489 I492 Y498 A516 G517 P519 W530	Y447-I480 HydrophobicContact CD2-CD1 4.43Å; I480-V482 PolarHBondContact O-N 3.24Å; I480-Y486 HydrophobicContact CG2-CD1 4.14Å; I480-Y486 HydrophobicContact CG2-CE1 3.58Å; I480-I488 HydrophobicContact CD1-CG2 4.04Å; I480-I488 HydrophobicContact CG1-CG2 4.49Å; I480-I488 HydrophobicContact CG2-CG2 4.01Å; I480-H489 HydrophobicContact CG2-CB 3.98Å; I480-I492 HydrophobicContact CB-CD1 4.43Å; I480-I492 HydrophobicContact CD1-CD1 4.44Å; I480-I492 HydrophobicContact CG1-CD1 3.75Å; I480-I492 HydrophobicContact CG2-CD1 4.22Å; I480-Y498 HydrophobicContact CB-CE1 4.15Å; I480-Y498 WeakPolarHBondContact CB-OH 3.46Å; I480-Y498 VanDerWaalsContact CG2-OH 3.3Å; I480-Y498 WeakPolarHBondContact CG2-OH 3.44Å; I480-A516 CarbonylContact O-C 3.58Å; I480-A516 VanDerWaalsContact O-CA 3.32Å; I480-A516 WeakPolarHBondContact O-CA 3.32Å; I480-G517 PolarHBondContact N-O 3.31Å; I480-G517 PolarHBondContact O-N 2.74Å; I480-P519 HydrophobicContact CG1-CG 3.6Å; I480-W530 HydrophobicContact CD1-CH2 4.3Å; I480-W530 HydrophobicContact CD1-CZ3 4.02Å
481	K	98.8	Very high	98.5	Very high	44 Å²	44	28.8 Å²	28.8	19%	0.191	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-45.4	126.4	177.2	-174.2	177.8	-169.8	77.7	0	111.2	R446 D483 Y486 H489 P513	R446-K481 HydrophobicContact CG-CB 4.22Å; R446-K481 HydrophobicContact CG-CD 3.69Å; K481-D483 HydrophobicContact CD-CB 4.29Å; K481-D483 HydrophobicContact CG-CB 4.16Å; K481-D483 PolarHBondContact O-N 2.95Å; K481-Y486 HydrophobicContact CB-CD1 4.32Å; K481-Y486 HydrophobicContact CB-CE1 4.48Å; K481-H489 WeakPolarHBondContact O-CB 3.18Å; K481-P513 HydrophobicContact CB-CB 3.65Å; K481-P513 HydrophobicContact CB-CG 4.08Å; K481-P513 HydrophobicContact CD-CB 4.09Å; K481-P513 HydrophobicContact CG-CB 3.8Å; K481-P513 PolarHBondContact NZ-O 2.53Å
482	V	98.5	Very high	98.5	Very high	41 Å²	41	27.2 Å²	27.2	25%	0.248	14%	0.143	C	C	.	.			trans	-75.4	97	173.5	-179.8	0	0	0	0	108.4	I480 E508 S515	I480-V482 PolarHBondContact O-N 3.24Å; V482-E508 HydrophobicContact CG2-CG 4.28Å; V482-S515 PolarHBondContact N-O 3.36Å
483	D	98.1	Very high	98.5	Very high	23 Å²	23	32.8 Å²	32.8	12%	0.123	16%	0.163	C	C	.	.			trans	-151	119.8	-178.9	179.8	2.1	0	0	0	110.4	R446 K481 N485 Y486 H489	R446-D483 IonicContact CZ-OD2 2.88Å; R446-D483 IonicContact NE-OD2 3.29Å; R446-D483 PolarHBondContact NE-OD2 3.4Å; R446-D483 IonicContact NH2-OD2 3.68Å; R446-D483 PolarHBondContact NH2-OD2 3.15Å; K481-D483 HydrophobicContact CD-CB 4.29Å; K481-D483 HydrophobicContact CG-CB 4.16Å; K481-D483 PolarHBondContact O-N 2.95Å; D483-N485 PolarHBondContact O-N 3.17Å; D483-N485 WeakPolarHBondContact OD1-CB 3.41Å; D483-N485 PolarHBondContact OD1-N 2.79Å; D483-N485 PolarHBondContact OD1-ND2 2.97Å; D483-Y486 WeakPolarHBondContact O-CB 3.43Å; D483-Y486 PolarHBondContact O-N 2.65Å; D483-H489 PolarHBondContact O-CD2 2.77Å; D483-H489 VanDerWaalsContact O-CD2 3.23Å
484	T	97.2	Very high	98.5	Very high	104 Å²	104	37.5 Å²	37.5	64%	0.638	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.7	179.5	50.5	0	0	0	0	114	Y486 N490	T484-Y486 VanDerWaalsContact C-N 3.34Å; T484-N490 PolarHBondContact O-ND2 3.06Å
485	N	97.7	Very high	98.4	Very high	144 Å²	144	44 Å²	44	77%	0.77	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-1.7	173.4	-59.7	-56.7	0	0	0	112.8	D483	D483-N485 PolarHBondContact O-N 3.17Å; D483-N485 WeakPolarHBondContact OD1-CB 3.41Å; D483-N485 PolarHBondContact OD1-N 2.79Å; D483-N485 PolarHBondContact OD1-ND2 2.97Å
486	Y	98.4	Very high	98.4	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.035	23%	0.234	C	C	.	.			trans	-102	115.3	-176.7	179.7	-150	0	0	0	111.2	R446 Y447 T449 I480 K481 D483 T484 I488 H489 N490	R446-Y486 HydrophobicContact CB-CD1 4.36Å; R446-Y486 HydrophobicContact CB-CD2 4.1Å; R446-Y486 HydrophobicContact CB-CE1 4.09Å; R446-Y486 HydrophobicContact CB-CE2 3.84Å; R446-Y486 HydrophobicContact CB-CG 4.37Å; R446-Y486 HydrophobicContact CG-CD1 4.05Å; R446-Y486 HydrophobicContact CG-CD2 4.27Å; R446-Y486 HydrophobicContact CG-CE1 4.21Å; R446-Y486 HydrophobicContact CG-CE2 4.45Å; R446-Y486 HydrophobicContact CG-CG 4.09Å; Y447-Y486 PolarHBondContact N-OH 3.18Å; Y447-Y486 PolarHBondContact O-OH 3.48Å; T449-Y486 HydrophobicContact CG2-CE2 4.2Å; I480-Y486 HydrophobicContact CG2-CD1 4.14Å; I480-Y486 HydrophobicContact CG2-CE1 3.58Å; K481-Y486 HydrophobicContact CB-CD1 4.32Å; K481-Y486 HydrophobicContact CB-CE1 4.48Å; D483-Y486 WeakPolarHBondContact O-CB 3.43Å; D483-Y486 PolarHBondContact O-N 2.65Å; T484-Y486 VanDerWaalsContact C-N 3.34Å; Y486-I488 HydrophobicContact CD2-CB 4.22Å; Y486-I488 HydrophobicContact CD2-CG1 4.38Å; Y486-I488 HydrophobicContact CE1-CB 3.97Å; Y486-I488 HydrophobicContact CE1-CG2 4.34Å; Y486-I488 HydrophobicContact CE2-CB 3.55Å; Y486-I488 HydrophobicContact CE2-CG1 3.51Å; Y486-I488 PolarHBondContact O-N 3.23Å; Y486-I488 WeakPolarHBondContact OH-CB 3.29Å; Y486-I488 WeakPolarHBondContact OH-CG2 3.22Å; Y486-H489 HydrophobicContact CD1-CB 3.73Å; Y486-H489 HydrophobicContact CG-CB 4.24Å; Y486-H489 PolarHBondContact O-N 2.79Å; Y486-N490 PolarHBondContact O-N 2.86Å; Y486-N490 VanDerWaalsContact O-N 3.09Å; Y486-N490 PolarHBondContact O-ND2 3.49Å
487	K	98	Very high	98.4	Very high	90 Å²	90	45.8 Å²	45.8	39%	0.391	24%	0.237	S	C	.	.	H	α-helix	trans	-50.6	-52.5	-177.6	177.3	-171.4	168.6	-165.6	0	112.7	H489 N490 E491	K487-H489 VanDerWaalsContact C-N 3.34Å; K487-H489 PolarHBondContact O-N 3.33Å; K487-N490 PolarHBondContact O-N 3.16Å; K487-N490 VanDerWaalsContact O-N 3.16Å; K487-E491 WeakPolarHBondContact CE-OE1 3.29Å; K487-E491 HydrophobicContact CG-CG 4.47Å; K487-E491 WeakPolarHBondContact CG-OE1 3.41Å; K487-E491 PolarHBondContact O-N 3.12Å
488	I	98.4	Very high	98.4	Very high	7 Å²	7	46 Å²	46	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-44.2	-176.3	-57.9	-59.7	0	0	0	110.7	F448 I480 Y486 E491 I492 W529 Q533	F448-I488 HydrophobicContact CB-CG1 4.46Å; F448-I488 HydrophobicContact CD2-CD1 4.18Å; F448-I488 HydrophobicContact CD2-CG1 4.08Å; F448-I488 HydrophobicContact CG-CD1 4.49Å; I480-I488 HydrophobicContact CD1-CG2 4.04Å; I480-I488 HydrophobicContact CG1-CG2 4.49Å; I480-I488 HydrophobicContact CG2-CG2 4.01Å; Y486-I488 HydrophobicContact CD2-CB 4.22Å; Y486-I488 HydrophobicContact CD2-CG1 4.38Å; Y486-I488 HydrophobicContact CE1-CB 3.97Å; Y486-I488 HydrophobicContact CE1-CG2 4.34Å; Y486-I488 HydrophobicContact CE2-CB 3.55Å; Y486-I488 HydrophobicContact CE2-CG1 3.51Å; Y486-I488 PolarHBondContact O-N 3.23Å; Y486-I488 WeakPolarHBondContact OH-CB 3.29Å; Y486-I488 WeakPolarHBondContact OH-CG2 3.22Å; I488-E491 PolarHBondContact O-N 2.84Å; I488-I492 HydrophobicContact CG2-CD1 3.78Å; I488-I492 WeakPolarHBondContact O-CB 3.33Å; I488-I492 VanDerWaalsContact O-CG1 3.25Å; I488-I492 WeakPolarHBondContact O-CG1 3.3Å; I488-I492 PolarHBondContact O-N 3.05Å; I488-W529 HydrophobicContact CB-CH2 4.49Å; I488-W529 HydrophobicContact CD1-CH2 4.2Å; I488-W529 HydrophobicContact CD1-CZ2 4.43Å; I488-W529 HydrophobicContact CG2-CH2 3.86Å; I488-Q533 HydrophobicContact CD1-CG 4.12Å
489	H	98.6	Very high	98.4	Very high	2 Å²	2	46 Å²	46	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-50.7	174.1	171.6	67.3	0	0	0	112	I480 K481 D483 Y486 K487 E491 I492 R493 Y498	I480-H489 HydrophobicContact CG2-CB 3.98Å; K481-H489 WeakPolarHBondContact O-CB 3.18Å; D483-H489 PolarHBondContact O-CD2 2.77Å; D483-H489 VanDerWaalsContact O-CD2 3.23Å; Y486-H489 HydrophobicContact CD1-CB 3.73Å; Y486-H489 HydrophobicContact CG-CB 4.24Å; Y486-H489 PolarHBondContact O-N 2.79Å; K487-H489 VanDerWaalsContact C-N 3.34Å; K487-H489 PolarHBondContact O-N 3.33Å; H489-E491 VanDerWaalsContact C-N 3.32Å; H489-E491 PolarHBondContact O-N 3.28Å; H489-I492 PolarHBondContact O-N 3.43Å; H489-R493 VanDerWaalsContact O-CB 3.24Å; H489-R493 WeakPolarHBondContact O-CB 3.3Å; H489-R493 PolarHBondContact O-N 3.08Å; H489-Y498 AromaticContact CE1-CE2 3.92Å; H489-Y498 AromaticContact ND1-CE2 3.73Å; H489-Y498 AromaticContact ND1-CZ 3.7Å; H489-Y498 PolarHBondContact ND1-OH 3.2Å
490	N	98.6	Very high	98.4	Very high	62 Å²	62	48.8 Å²	48.8	33%	0.332	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-39.3	-177.3	-69.2	-30.3	0	0	0	112.3	T484 Y486 K487 S494	T484-N490 PolarHBondContact O-ND2 3.06Å; Y486-N490 PolarHBondContact O-N 2.86Å; Y486-N490 VanDerWaalsContact O-N 3.09Å; Y486-N490 PolarHBondContact O-ND2 3.49Å; K487-N490 PolarHBondContact O-N 3.16Å; K487-N490 VanDerWaalsContact O-N 3.16Å; N490-S494 VanDerWaalsContact O-CB 3.24Å; N490-S494 WeakPolarHBondContact O-CB 3.44Å; N490-S494 PolarHBondContact O-N 3.28Å; N490-S494 PolarHBondContact O-OG 3.25Å
491	E	98.5	Very high	98.3	Very high	45 Å²	45	51.1 Å²	51.1	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-46.9	177.6	-73.7	-168.4	-151.4	0	0	112.2	K487 I488 H489 R493 S494 R495 W529	K487-E491 WeakPolarHBondContact CE-OE1 3.29Å; K487-E491 HydrophobicContact CG-CG 4.47Å; K487-E491 WeakPolarHBondContact CG-OE1 3.41Å; K487-E491 PolarHBondContact O-N 3.12Å; I488-E491 PolarHBondContact O-N 2.84Å; H489-E491 VanDerWaalsContact C-N 3.32Å; H489-E491 PolarHBondContact O-N 3.28Å; E491-R493 VanDerWaalsContact C-N 3.32Å; E491-R493 PolarHBondContact O-N 3.17Å; E491-S494 PolarHBondContact O-N 3.19Å; E491-S494 PolarHBondContact O-OG 3.06Å; E491-S494 VanDerWaalsContact O-OG 3.1Å; E491-R495 WeakPolarHBondContact O-CB 3.29Å; E491-R495 VanDerWaalsContact O-CG 3.26Å; E491-R495 WeakPolarHBondContact O-CG 3.45Å; E491-R495 PolarHBondContact O-N 3.08Å; E491-R495 VanDerWaalsContact O-N 3.09Å; E491-W529 HydrophobicContact CB-CH2 4.5Å; E491-W529 HydrophobicContact CB-CZ2 3.6Å; E491-W529 HydrophobicContact CG-CZ2 4.48Å; E491-W529 WeakPolarHBondContact OE2-CZ2 3.2Å; E491-W529 PolarHBondContact OE2-NE1 2.71Å
492	I	98.4	Very high	98	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-45.2	177.3	-68.7	169.7	0	0	0	110.2	I480 I488 H489 R495 G496 F497 Y498 P519 W529	I480-I492 HydrophobicContact CB-CD1 4.43Å; I480-I492 HydrophobicContact CD1-CD1 4.44Å; I480-I492 HydrophobicContact CG1-CD1 3.75Å; I480-I492 HydrophobicContact CG2-CD1 4.22Å; I488-I492 HydrophobicContact CG2-CD1 3.78Å; I488-I492 WeakPolarHBondContact O-CB 3.33Å; I488-I492 VanDerWaalsContact O-CG1 3.25Å; I488-I492 WeakPolarHBondContact O-CG1 3.3Å; I488-I492 PolarHBondContact O-N 3.05Å; H489-I492 PolarHBondContact O-N 3.43Å; I492-R495 PolarHBondContact O-N 2.77Å; I492-G496 PolarHBondContact O-N 2.8Å; I492-G496 VanDerWaalsContact O-N 3.15Å; I492-F497 HydrophobicContact CB-CB 4.43Å; I492-F497 HydrophobicContact CG2-CB 3.8Å; I492-F497 PolarHBondContact O-N 2.79Å; I492-Y498 HydrophobicContact CB-CE1 4.39Å; I492-Y498 HydrophobicContact CB-CE2 4.35Å; I492-Y498 HydrophobicContact CG2-CD1 3.52Å; I492-Y498 HydrophobicContact CG2-CD2 3.86Å; I492-Y498 HydrophobicContact CG2-CE1 3.43Å; I492-Y498 VanDerWaalsContact CG2-CE1 3.43Å; I492-Y498 HydrophobicContact CG2-CE2 3.77Å; I492-Y498 HydrophobicContact CG2-CG 3.74Å; I492-P519 HydrophobicContact CD1-CG 3.9Å; I492-W529 HydrophobicContact CD1-CH2 3.67Å; I492-W529 HydrophobicContact CD1-CZ3 3.54Å; I492-W529 HydrophobicContact CG1-CE3 4.13Å; I492-W529 HydrophobicContact CG1-CH2 3.35Å; I492-W529 HydrophobicContact CG1-CZ2 4.17Å; I492-W529 HydrophobicContact CG1-CZ3 3.34Å
493	R	98.3	Very high	97.8	Very high	116 Å²	116	58.8 Å²	58.8	44%	0.438	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-49	179.2	-169.3	175.3	-170	150.9	8	112.3	H489 E491 R495 G496 Y498 D506	H489-R493 VanDerWaalsContact O-CB 3.24Å; H489-R493 WeakPolarHBondContact O-CB 3.3Å; H489-R493 PolarHBondContact O-N 3.08Å; E491-R493 VanDerWaalsContact C-N 3.32Å; E491-R493 PolarHBondContact O-N 3.17Å; R493-R495 VanDerWaalsContact C-N 3.26Å; R493-R495 PolarHBondContact O-N 3.03Å; R493-G496 PolarHBondContact O-N 3.44Å; R493-Y498 HydrophobicContact CB-CD2 4.35Å; R493-Y498 HydrophobicContact CB-CE2 4.01Å; R493-D506 IonicContact NE-OD2 2.68Å
494	S	98.3	Very high	97.7	Very high	99 Å²	99	60.3 Å²	60.3	69%	0.692	32%	0.32	S	S	*	.	H	α-helix	trans	-66.2	-27.7	-177.5	59.8	0	0	0	0	113.4	N490 E491	N490-S494 VanDerWaalsContact O-CB 3.24Å; N490-S494 WeakPolarHBondContact O-CB 3.44Å; N490-S494 PolarHBondContact O-N 3.28Å; N490-S494 PolarHBondContact O-OG 3.25Å; E491-S494 PolarHBondContact O-N 3.19Å; E491-S494 PolarHBondContact O-OG 3.06Å; E491-S494 VanDerWaalsContact O-OG 3.1Å
495	R	98.3	Very high	97.7	Very high	138 Å²	138	56.9 Å²	56.9	52%	0.521	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.6	174.5	-64.6	172.5	-175	-97.4	3.7	113.4	E491 I492 R493 F497	E491-R495 WeakPolarHBondContact O-CB 3.29Å; E491-R495 VanDerWaalsContact O-CG 3.26Å; E491-R495 WeakPolarHBondContact O-CG 3.45Å; E491-R495 PolarHBondContact O-N 3.08Å; E491-R495 VanDerWaalsContact O-N 3.09Å; I492-R495 PolarHBondContact O-N 2.77Å; R493-R495 VanDerWaalsContact C-N 3.26Å; R493-R495 PolarHBondContact O-N 3.03Å; R495-F497 VanDerWaalsContact C-N 3.3Å; R495-F497 HydrophobicContact CB-CD1 3.96Å; R495-F497 HydrophobicContact CB-CD2 3.8Å; R495-F497 HydrophobicContact CB-CE1 4Å; R495-F497 HydrophobicContact CB-CE2 3.84Å; R495-F497 HydrophobicContact CB-CG 3.87Å; R495-F497 HydrophobicContact CB-CZ 3.95Å; R495-F497 HydrophobicContact CG-CE2 4.25Å; R495-F497 HydrophobicContact CG-CZ 4.48Å
496	G	98	Very high	97.7	Very high	28 Å²	28	51.5 Å²	51.5	29%	0.289	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	27.3	-177.1	0	0	0	0	0	113.6	I492 R493 Y498	I492-G496 PolarHBondContact O-N 2.8Å; I492-G496 VanDerWaalsContact O-N 3.15Å; R493-G496 PolarHBondContact O-N 3.44Å; G496-Y498 VanDerWaalsContact C-N 3.32Å; G496-Y498 PolarHBondContact O-N 3.16Å
497	F	98.7	Very high	97.8	Very high	10 Å²	10	51.6 Å²	51.6	4%	0.044	28%	0.276	C	S	.	.			trans	-81.9	-1.9	-175.9	-73.6	-14.1	0	0	0	114.5	I492 R495 P519 D520 D525 M526 W529	I492-F497 HydrophobicContact CB-CB 4.43Å; I492-F497 HydrophobicContact CG2-CB 3.8Å; I492-F497 PolarHBondContact O-N 2.79Å; R495-F497 VanDerWaalsContact C-N 3.3Å; R495-F497 HydrophobicContact CB-CD1 3.96Å; R495-F497 HydrophobicContact CB-CD2 3.8Å; R495-F497 HydrophobicContact CB-CE1 4Å; R495-F497 HydrophobicContact CB-CE2 3.84Å; R495-F497 HydrophobicContact CB-CG 3.87Å; R495-F497 HydrophobicContact CB-CZ 3.95Å; R495-F497 HydrophobicContact CG-CE2 4.25Å; R495-F497 HydrophobicContact CG-CZ 4.48Å; F497-P519 CarbonylContact O-C 3.53Å; F497-P519 WeakPolarHBondContact O-CA 3.49Å; F497-D520 PolarHBondContact O-N 3.13Å; F497-D525 HydrophobicContact CE1-CB 4.42Å; F497-D525 WeakPolarHBondContact CE1-OD2 3.3Å; F497-D525 HydrophobicContact CZ-CB 4.37Å; F497-M526 HydrophobicContact CB-CB 4.35Å; F497-M526 HydrophobicContact CB-CG 4.06Å; F497-M526 HydrophobicContact CD1-CB 4.2Å; F497-M526 HydrophobicContact CD2-CB 4.24Å; F497-M526 HydrophobicContact CD2-CG 4.29Å; F497-M526 HydrophobicContact CG-CB 4.03Å; F497-M526 HydrophobicContact CG-CG 4.17Å; F497-W529 HydrophobicContact CD2-CB 4.42Å; F497-W529 HydrophobicContact CD2-CD2 4.38Å; F497-W529 HydrophobicContact CD2-CE3 4.45Å; F497-W529 HydrophobicContact CD2-CG 4.37Å; F497-W529 HydrophobicContact CE2-CB 3.63Å; F497-W529 HydrophobicContact CE2-CD2 4.27Å; F497-W529 AromaticContact CE2-CG 3.8Å; F497-W529 HydrophobicContact CE2-CG 3.8Å; F497-W529 HydrophobicContact CZ-CB 4.44Å
498	Y	98.8	Very high	97.7	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.02	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-73.7	142.9	170.9	-74.7	-53.1	0	0	0	111.5	I480 H489 I492 R493 G496 K500 D506 G517 Y518 P519	I480-Y498 HydrophobicContact CB-CE1 4.15Å; I480-Y498 WeakPolarHBondContact CB-OH 3.46Å; I480-Y498 VanDerWaalsContact CG2-OH 3.3Å; I480-Y498 WeakPolarHBondContact CG2-OH 3.44Å; H489-Y498 AromaticContact CE1-CE2 3.92Å; H489-Y498 AromaticContact ND1-CE2 3.73Å; H489-Y498 AromaticContact ND1-CZ 3.7Å; H489-Y498 PolarHBondContact ND1-OH 3.2Å; I492-Y498 HydrophobicContact CB-CE1 4.39Å; I492-Y498 HydrophobicContact CB-CE2 4.35Å; I492-Y498 HydrophobicContact CG2-CD1 3.52Å; I492-Y498 HydrophobicContact CG2-CD2 3.86Å; I492-Y498 HydrophobicContact CG2-CE1 3.43Å; I492-Y498 VanDerWaalsContact CG2-CE1 3.43Å; I492-Y498 HydrophobicContact CG2-CE2 3.77Å; I492-Y498 HydrophobicContact CG2-CG 3.74Å; R493-Y498 HydrophobicContact CB-CD2 4.35Å; R493-Y498 HydrophobicContact CB-CE2 4.01Å; G496-Y498 VanDerWaalsContact C-N 3.32Å; G496-Y498 PolarHBondContact O-N 3.16Å; Y498-K500 WeakPolarHBondContact O-CE 3.35Å; Y498-D506 HydrophobicContact CD2-CB 4.24Å; Y498-D506 HydrophobicContact CG-CB 4.47Å; Y498-G517 VanDerWaalsContact CE1-CA 3.45Å; Y498-G517 WeakPolarHBondContact CE1-O 3.24Å; Y498-Y518 WeakPolarHBondContact CD1-O 3.26Å; Y498-P519 HydrophobicContact CE1-CG 4.35Å
499	V	98.9	Very high	97.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-50.8	143.7	161.3	177.1	0	0	0	0	108.2	Y507 Y518 D520 M565 A569 H571 Y583	V499-Y507 VanDerWaalsContact O-CB 3.29Å; V499-Y507 WeakPolarHBondContact O-CB 3.46Å; V499-Y507 PolarHBondContact O-N 3.49Å; V499-Y518 WeakPolarHBondContact CG2-O 3.39Å; V499-Y518 PolarHBondContact N-O 2.78Å; V499-D520 HydrophobicContact CG2-CB 3.8Å; V499-M565 HydrophobicContact CB-CE 4.14Å; V499-M565 HydrophobicContact CG1-CE 3.96Å; V499-M565 HydrophobicContact CG1-SD 4.01Å; V499-M565 HydrophobicContact CG2-CE 4.11Å; V499-A569 HydrophobicContact CG1-CB 4.04Å; V499-H571 WeakPolarHBondContact CG2-CE1 3.42Å; V499-Y583 HydrophobicContact CG2-CE2 4.47Å
500	K	98.7	Very high	97.7	Very high	58 Å²	58	58.8 Å²	58.8	25%	0.252	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-98.8	148	179.8	-55.1	-60.4	176.9	175.4	0	111.1	Y498 G505 D506 A569 M570	Y498-K500 WeakPolarHBondContact O-CE 3.35Å; K500-G505 CarbonylContact C-O 3.36Å; K500-G505 WeakPolarHBondContact CA-O 3.48Å; K500-G505 WeakPolarHBondContact CB-O 3.45Å; K500-G505 WeakPolarHBondContact CD-O 3.41Å; K500-D506 IonicContact NZ-OD1 3.21Å; K500-D506 PolarHBondContact NZ-OD1 3.47Å; K500-A569 CarbonylContact O-C 3.55Å; K500-A569 WeakPolarHBondContact O-CA 3.44Å; K500-A569 WeakPolarHBondContact O-CB 3.33Å; K500-M570 HydrophobicContact CB-CB 4.21Å; K500-M570 PolarHBondContact N-O 3.22Å; K500-M570 PolarHBondContact O-N 3.37Å
501	N	97.6	Very high	97.7	Very high	48 Å²	48	56.1 Å²	56.1	26%	0.257	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-75.7	171.2	163.8	64.9	40.6	0	0	0	110.2	D503 G504 G505 D506 Y507	N501-D503 PolarHBondContact O-N 3.25Å; N501-D503 VanDerWaalsContact O-N 3.1Å; N501-D503 WeakPolarHBondContact OD1-CA 3.42Å; N501-D503 PolarHBondContact OD1-N 2.98Å; N501-G504 PolarHBondContact O-N 3.14Å; N501-G504 PolarHBondContact OD1-N 3.14Å; N501-G504 VanDerWaalsContact OD1-N 3.16Å; N501-G505 PolarHBondContact N-O 2.96Å; N501-G505 PolarHBondContact OD1-N 2.85Å; N501-D506 PolarHBondContact ND2-O 2.96Å; N501-Y507 HydrophobicContact CB-CD2 4.38Å
502	K	92.7	Very high	97.7	Very high	107 Å²	107	58 Å²	58	47%	0.465	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.5	-179.6	70.1	-171.8	-179.1	-175.4	0	115.1	G504 D568	K502-G504 VanDerWaalsContact C-N 3.34Å; K502-D568 VanDerWaalsContact CD-OD2 3.27Å; K502-D568 WeakPolarHBondContact CD-OD2 3.25Å; K502-D568 IonicContact NZ-OD2 2.66Å
503	D	94.5	Very high	97.6	Very high	140 Å²	140	58.5 Å²	58.5	75%	0.749	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	0.7	179.5	-56.4	-51.9	0	0	0	112.3	N501	N501-D503 PolarHBondContact O-N 3.25Å; N501-D503 VanDerWaalsContact O-N 3.1Å; N501-D503 WeakPolarHBondContact OD1-CA 3.42Å; N501-D503 PolarHBondContact OD1-N 2.98Å
504	G	95.1	Very high	97.6	Very high	55 Å²	55	53.9 Å²	53.9	57%	0.567	29%	0.288	S	S	*	.	S	Bend	trans	87.1	1	178.2	0	0	0	0	0	115.3	N501 K502	N501-G504 PolarHBondContact O-N 3.14Å; N501-G504 PolarHBondContact OD1-N 3.14Å; N501-G504 VanDerWaalsContact OD1-N 3.16Å; K502-G504 VanDerWaalsContact C-N 3.34Å
505	G	97.6	Very high	97.6	Very high	31 Å²	31	51.2 Å²	51.2	32%	0.32	27%	0.269	S	S	.	.	S	Bend	trans	-77.8	166.1	171.8	0	0	0	0	0	112.2	K500 N501 Y507	K500-G505 CarbonylContact C-O 3.36Å; K500-G505 WeakPolarHBondContact CA-O 3.48Å; K500-G505 WeakPolarHBondContact CB-O 3.45Å; K500-G505 WeakPolarHBondContact CD-O 3.41Å; N501-G505 PolarHBondContact N-O 2.96Å; N501-G505 PolarHBondContact OD1-N 2.85Å; G505-Y507 PolarHBondContact O-N 3.38Å
506	D	98.4	Very high	97.6	Very high	31 Å²	31	44.7 Å²	44.7	17%	0.166	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-59	135.8	170.7	-65	-26.3	0	0	0	109.7	R493 Y498 K500 N501 E508	R493-D506 IonicContact NE-OD2 2.68Å; Y498-D506 HydrophobicContact CD2-CB 4.24Å; Y498-D506 HydrophobicContact CG-CB 4.47Å; K500-D506 IonicContact NZ-OD1 3.21Å; K500-D506 PolarHBondContact NZ-OD1 3.47Å; N501-D506 PolarHBondContact ND2-O 2.96Å; D506-E508 PolarHBondContact O-N 3.01Å
507	Y	98.5	Very high	97.7	Very high	11 Å²	11	43.4 Å²	43.4	4%	0.043	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-73.3	121.2	173.1	-176.2	-87.1	0	0	0	109.2	V499 N501 G505 G517 Y518 V557 M565 H566 A569	V499-Y507 VanDerWaalsContact O-CB 3.29Å; V499-Y507 WeakPolarHBondContact O-CB 3.46Å; V499-Y507 PolarHBondContact O-N 3.49Å; N501-Y507 HydrophobicContact CB-CD2 4.38Å; G505-Y507 PolarHBondContact O-N 3.38Å; Y507-G517 WeakPolarHBondContact O-CA 3.2Å; Y507-Y518 AromaticContact CD1-CD2 3.65Å; Y507-Y518 HydrophobicContact CD1-CD2 3.65Å; Y507-Y518 HydrophobicContact CD1-CE2 4.28Å; Y507-Y518 HydrophobicContact CD1-CG 4.33Å; Y507-Y518 AromaticContact CE1-CD2 3.83Å; Y507-Y518 HydrophobicContact CE1-CD2 3.83Å; Y507-Y518 HydrophobicContact CE1-CE2 4.04Å; Y507-V557 HydrophobicContact CE1-CG1 4.33Å; Y507-V557 HydrophobicContact CE1-CG2 4.47Å; Y507-M565 HydrophobicContact CD1-CE 3.95Å; Y507-M565 HydrophobicContact CD1-SD 3.21Å; Y507-M565 WeakPolarHBondContact CD1-SD 3.38Å; Y507-M565 HydrophobicContact CD2-SD 3.52Å; Y507-M565 VanDerWaalsContact CD2-SD 3.52Å; Y507-M565 HydrophobicContact CE1-CE 4.1Å; Y507-M565 HydrophobicContact CE1-SD 3.19Å; Y507-M565 WeakPolarHBondContact CE1-SD 3.33Å; Y507-M565 HydrophobicContact CE2-CG 4.35Å; Y507-M565 HydrophobicContact CE2-SD 3.49Å; Y507-M565 WeakPolarHBondContact CE2-SD 3.4Å; Y507-M565 HydrophobicContact CG-CE 4.43Å; Y507-M565 HydrophobicContact CG-SD 3.37Å; Y507-H566 HydrophobicContact CE2-CB 4.22Å; Y507-H566 AromaticContact CE2-ND1 3.48Å; Y507-H566 WeakPolarHBondContact CE2-ND1 3.42Å; Y507-H566 AromaticContact CZ-ND1 3.67Å; Y507-H566 PolarHBondContact OH-ND1 3.41Å; Y507-A569 HydrophobicContact CD2-CB 4.12Å; Y507-A569 HydrophobicContact CE2-CB 4.45Å
508	E	97.8	Very high	97.7	Very high	94 Å²	94	42.9 Å²	42.9	44%	0.439	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.4	174.8	-66.6	-174.9	-172.2	0	0	109.5	V482 D506 A516	V482-E508 HydrophobicContact CG2-CG 4.28Å; D506-E508 PolarHBondContact O-N 3.01Å; E508-A516 WeakPolarHBondContact CA-O 3.37Å
509	G	97.7	Very high	97.7	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	-173.8	175	0	0	0	0	0	111	S515 A516	G509-S515 WeakPolarHBondContact O-CA 3.26Å; G509-A516 PolarHBondContact N-O 2.93Å; G509-A516 PolarHBondContact O-N 3.4Å
510	W	98.3	Very high	97.7	Very high	155 Å²	155	42.9 Å²	42.9	59%	0.587	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.6	175.2	-71.2	61.6	0	0	0	109.8	G514 F558 N559	W510-G514 WeakPolarHBondContact CA-O 3.38Å; W510-F558 WeakPolarHBondContact O-CB 3.46Å; W510-F558 PolarHBondContact O-N 2.76Å; W510-N559 HydrophobicContact CB-CB 4.23Å; W510-N559 HydrophobicContact CG-CB 4.5Å; W510-N559 PolarHBondContact N-OD1 3.08Å
511	C	98.4	Very high	97.7	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	-155.5	169.2	-157.5	0	0	0	0	109	H479 P513 G514 F558	H479-C511 HydrophobicContact CB-CB 4.33Å; H479-C511 PolarHBondContact CE1-SG 3.24Å; C511-P513 VanDerWaalsContact C-CD 3.47Å; C511-G514 PolarHBondContact N-O 3.13Å; C511-G514 PolarHBondContact O-N 3.2Å; C511-F558 VanDerWaalsContact CA-CD2 3.48Å; C511-F558 HydrophobicContact CB-CE2 4.48Å; C511-F558 VanDerWaalsContact SG-CZ 3.59Å
512	W	98.1	Very high	97.7	Very high	86 Å²	86	38.8 Å²	38.8	33%	0.326	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-42.5	-178.9	-59.5	132.4	0	0	0	115.9	W410 I439 K445 H479 G514 M552 F558	W410-W512 AromaticContact CH2-CH2 3.54Å; W410-W512 HydrophobicContact CH2-CH2 3.54Å; W410-W512 HydrophobicContact CH2-CZ2 4.03Å; W410-W512 AromaticContact CH2-CZ3 3.83Å; W410-W512 HydrophobicContact CH2-CZ3 3.83Å; W410-W512 HydrophobicContact CZ2-CH2 4.49Å; W410-W512 HydrophobicContact CZ2-CZ3 4.46Å; W410-W512 HydrophobicContact CZ3-CH2 4.13Å; W410-W512 HydrophobicContact CZ3-CZ2 4.39Å; I439-W512 HydrophobicContact CD1-CB 4.24Å; I439-W512 HydrophobicContact CD1-CD2 3.77Å; I439-W512 HydrophobicContact CD1-CE3 4.23Å; I439-W512 HydrophobicContact CD1-CG 3.78Å; K445-W512 HydrophobicContact CB-CB 4.42Å; K445-W512 HydrophobicContact CG-CB 3.92Å; H479-W512 AromaticContact CE1-CD1 3.63Å; H479-W512 AromaticContact NE2-CD1 3.68Å; W512-G514 PolarHBondContact O-N 3.44Å; W512-M552 HydrophobicContact CZ2-CE 3.87Å; W512-M552 HydrophobicContact CZ2-SD 4.36Å; W512-F558 AromaticContact CD2-CE2 3.97Å; W512-F558 HydrophobicContact CD2-CE2 3.97Å; W512-F558 AromaticContact CD2-CZ 3.59Å; W512-F558 HydrophobicContact CD2-CZ 3.59Å; W512-F558 AromaticContact CE2-CZ 3.69Å; W512-F558 AromaticContact CE3-CE2 3.61Å; W512-F558 HydrophobicContact CE3-CE2 3.61Å; W512-F558 AromaticContact CE3-CZ 3.59Å; W512-F558 HydrophobicContact CE3-CZ 3.59Å; W512-F558 HydrophobicContact CG-CZ 4.28Å; W512-F558 HydrophobicContact CH2-CE2 4.34Å; W512-F558 AromaticContact CH2-CZ 3.73Å; W512-F558 HydrophobicContact CH2-CZ 3.73Å; W512-F558 AromaticContact CZ2-CZ 3.77Å; W512-F558 HydrophobicContact CZ2-CZ 3.77Å; W512-F558 AromaticContact CZ3-CE2 3.81Å; W512-F558 HydrophobicContact CZ3-CE2 3.81Å; W512-F558 AromaticContact CZ3-CZ 3.65Å; W512-F558 HydrophobicContact CZ3-CZ 3.65Å
513	P	97.7	Very high	98	Very high	10 Å²	10	36 Å²	36	7%	0.065	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	7.3	178.7	31.9	-36.3	0	0	0	114.4	K445 H479 K481 C511 A516	K445-P513 HydrophobicContact CB-CB 3.67Å; K445-P513 HydrophobicContact CB-CG 4.42Å; H479-P513 WeakPolarHBondContact CD2-CD 3.31Å; H479-P513 WeakPolarHBondContact NE2-CD 3.5Å; K481-P513 HydrophobicContact CB-CB 3.65Å; K481-P513 HydrophobicContact CB-CG 4.08Å; K481-P513 HydrophobicContact CD-CB 4.09Å; K481-P513 HydrophobicContact CG-CB 3.8Å; K481-P513 PolarHBondContact NZ-O 2.53Å; C511-P513 VanDerWaalsContact C-CD 3.47Å; P513-A516 HydrophobicContact CG-CB 4.06Å
514	G	98.1	Very high	98.2	Very high	19 Å²	19	33.4 Å²	33.4	20%	0.196	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.4	-128.9	-165.5	0	0	0	0	0	110.3	W510 C511 W512 A516	W510-G514 WeakPolarHBondContact CA-O 3.38Å; C511-G514 PolarHBondContact N-O 3.13Å; C511-G514 PolarHBondContact O-N 3.2Å; W512-G514 PolarHBondContact O-N 3.44Å; G514-A516 PolarHBondContact O-N 3.01Å
515	S	98.3	Very high	98.3	Very high	43 Å²	43	34.1 Å²	34.1	30%	0.301	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	124.1	175.4	174.6	0	0	0	0	111.4	V482 G509	V482-S515 PolarHBondContact N-O 3.36Å; G509-S515 WeakPolarHBondContact O-CA 3.26Å
516	A	98.6	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.4	-176.6	0	0	0	0	0	111.3	H479 I480 E508 G509 P513 G514 Y518	H479-A516 HydrophobicContact CB-CB 4.08Å; I480-A516 CarbonylContact O-C 3.58Å; I480-A516 VanDerWaalsContact O-CA 3.32Å; I480-A516 WeakPolarHBondContact O-CA 3.32Å; E508-A516 WeakPolarHBondContact CA-O 3.37Å; G509-A516 PolarHBondContact N-O 2.93Å; G509-A516 PolarHBondContact O-N 3.4Å; P513-A516 HydrophobicContact CG-CB 4.06Å; G514-A516 PolarHBondContact O-N 3.01Å; A516-Y518 HydrophobicContact CB-CE2 4.42Å
517	G	98.6	Very high	98.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	152	165.1	0	0	0	0	0	111	I480 Y498 Y507	I480-G517 PolarHBondContact N-O 3.31Å; I480-G517 PolarHBondContact O-N 2.74Å; Y498-G517 VanDerWaalsContact CE1-CA 3.45Å; Y498-G517 WeakPolarHBondContact CE1-O 3.24Å; Y507-G517 WeakPolarHBondContact O-CA 3.2Å
518	Y	98.9	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.			trans	-113.8	112	-174.6	-69.8	-98.7	0	0	0	110.1	H479 Y498 V499 Y507 A516 P555 S556 V557 M565	H479-Y518 HydrophobicContact CB-CD1 4.1Å; H479-Y518 HydrophobicContact CB-CE1 3.63Å; Y498-Y518 WeakPolarHBondContact CD1-O 3.26Å; V499-Y518 WeakPolarHBondContact CG2-O 3.39Å; V499-Y518 PolarHBondContact N-O 2.78Å; Y507-Y518 AromaticContact CD1-CD2 3.65Å; Y507-Y518 HydrophobicContact CD1-CD2 3.65Å; Y507-Y518 HydrophobicContact CD1-CE2 4.28Å; Y507-Y518 HydrophobicContact CD1-CG 4.33Å; Y507-Y518 AromaticContact CE1-CD2 3.83Å; Y507-Y518 HydrophobicContact CE1-CD2 3.83Å; Y507-Y518 HydrophobicContact CE1-CE2 4.04Å; A516-Y518 HydrophobicContact CB-CE2 4.42Å; Y518-P555 HydrophobicContact CD1-CB 3.97Å; Y518-P555 HydrophobicContact CE1-CB 4.16Å; Y518-S556 PolarHBondContact OH-O 2.92Å; Y518-V557 HydrophobicContact CD1-CG2 4.45Å; Y518-V557 HydrophobicContact CE1-CG2 3.75Å; Y518-V557 HydrophobicContact CE2-CG1 4.35Å; Y518-V557 HydrophobicContact CE2-CG2 4.21Å; Y518-M565 HydrophobicContact CD1-CE 4.36Å; Y518-M565 HydrophobicContact CG-CE 3.95Å
519	P	98.9	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-63.8	143.4	-178.9	-24.5	38	0	0	0	112.2	P478 I480 I492 F497 Y498 F521 M526 Y583	P478-P519 WeakPolarHBondContact O-CD 3.4Å; I480-P519 HydrophobicContact CG1-CG 3.6Å; I492-P519 HydrophobicContact CD1-CG 3.9Å; F497-P519 CarbonylContact O-C 3.53Å; F497-P519 WeakPolarHBondContact O-CA 3.49Å; Y498-P519 HydrophobicContact CE1-CG 4.35Å; P519-F521 HydrophobicContact CB-CD2 4.09Å; P519-F521 HydrophobicContact CB-CE2 3.76Å; P519-F521 HydrophobicContact CG-CE2 4.17Å; P519-F521 WeakPolarHBondContact O-CD2 3.48Å; P519-F521 PolarHBondContact O-N 2.79Å; P519-F521 VanDerWaalsContact O-N 3.11Å; P519-M526 HydrophobicContact CB-CE 3.32Å; P519-M526 HydrophobicContact CB-CG 4.33Å; P519-M526 HydrophobicContact CB-SD 4.27Å; P519-M526 HydrophobicContact CG-CE 4.21Å; P519-Y583 WeakPolarHBondContact O-CE2 3.25Å; P519-Y583 PolarHBondContact O-OH 3.42Å
520	D	98.8	Very high	98.6	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	16%	0.158	C	C	.	.			trans	-85.6	84.5	180	-173.7	2.4	0	0	0	111.1	F497 V499 T522 R523 M526 H571	F497-D520 PolarHBondContact O-N 3.13Å; V499-D520 HydrophobicContact CG2-CB 3.8Å; D520-T522 PolarHBondContact O-N 3.26Å; D520-T522 WeakPolarHBondContact OD1-CB 3.45Å; D520-T522 WeakPolarHBondContact OD1-CG2 3.37Å; D520-T522 PolarHBondContact OD1-N 3.03Å; D520-T522 PolarHBondContact OD1-OG1 2.71Å; D520-R523 HydrophobicContact CB-CG 4.16Å; D520-R523 WeakPolarHBondContact O-CB 3.36Å; D520-R523 PolarHBondContact O-N 2.82Å; D520-R523 VanDerWaalsContact O-N 3.16Å; D520-R523 WeakPolarHBondContact OD2-CG 3.39Å; D520-M526 WeakPolarHBondContact O-CB 3.39Å; D520-M526 WeakPolarHBondContact O-CG 3.49Å; D520-H571 IonicContact OD1-CE1 2.93Å; D520-H571 IonicContact OD1-CG 3.86Å; D520-H571 IonicContact OD1-ND1 2.73Å; D520-H571 PolarHBondContact OD1-ND1 3.28Å; D520-H571 WeakPolarHBondContact OD2-CA 3.31Å; D520-H571 IonicContact OD2-ND1 2.79Å
521	F	98.9	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.1	178.8	-77.3	-91	0	0	0	114.2	P478 P519 R523 M526 R527 W530 Y583 Y586 V587 A590	P478-F521 HydrophobicContact CB-CD2 4.24Å; P478-F521 HydrophobicContact CB-CE2 3.46Å; P478-F521 VanDerWaalsContact CB-CE2 3.46Å; P478-F521 HydrophobicContact CB-CZ 4.06Å; P519-F521 HydrophobicContact CB-CD2 4.09Å; P519-F521 HydrophobicContact CB-CE2 3.76Å; P519-F521 HydrophobicContact CG-CE2 4.17Å; P519-F521 WeakPolarHBondContact O-CD2 3.48Å; P519-F521 PolarHBondContact O-N 2.79Å; P519-F521 VanDerWaalsContact O-N 3.11Å; F521-R523 PolarHBondContact O-N 2.79Å; F521-M526 HydrophobicContact CB-SD 4.28Å; F521-M526 HydrophobicContact CD1-CE 3.72Å; F521-M526 HydrophobicContact CD1-SD 3.56Å; F521-M526 VanDerWaalsContact CD1-SD 3.56Å; F521-M526 HydrophobicContact CD2-CE 3.88Å; F521-M526 HydrophobicContact CD2-SD 4.1Å; F521-M526 HydrophobicContact CE1-CE 3.36Å; F521-M526 HydrophobicContact CE1-SD 3.85Å; F521-M526 HydrophobicContact CE2-CE 3.54Å; F521-M526 HydrophobicContact CE2-SD 4.35Å; F521-M526 HydrophobicContact CG-CE 3.97Å; F521-M526 HydrophobicContact CG-SD 3.7Å; F521-M526 HydrophobicContact CZ-CE 3.27Å; F521-M526 HydrophobicContact CZ-SD 4.24Å; F521-R527 HydrophobicContact CD1-CG 4.35Å; F521-R527 VanDerWaalsContact O-CD 3.31Å; F521-R527 WeakPolarHBondContact O-CD 2.91Å; F521-R527 VanDerWaalsContact O-CG 3.25Å; F521-R527 WeakPolarHBondContact O-CG 3.49Å; F521-R527 PolarHBondContact O-NH1 2.93Å; F521-W530 HydrophobicContact CE1-CB 4.23Å; F521-W530 AromaticContact CE1-CD1 3.8Å; F521-W530 AromaticContact CE1-CD2 3.82Å; F521-W530 HydrophobicContact CE1-CD2 3.82Å; F521-W530 AromaticContact CE1-CE2 3.98Å; F521-W530 HydrophobicContact CE1-CE3 4.45Å; F521-W530 AromaticContact CE1-CG 3.7Å; F521-W530 HydrophobicContact CE1-CG 3.7Å; F521-W530 AromaticContact CE1-NE1 3.92Å; F521-W530 AromaticContact CZ-CD2 3.69Å; F521-W530 HydrophobicContact CZ-CD2 3.69Å; F521-W530 AromaticContact CZ-CE2 3.77Å; F521-W530 AromaticContact CZ-CE3 3.95Å; F521-W530 HydrophobicContact CZ-CE3 3.95Å; F521-W530 HydrophobicContact CZ-CG 4.09Å; F521-W530 HydrophobicContact CZ-CH2 4.33Å; F521-W530 HydrophobicContact CZ-CZ2 4.1Å; F521-W530 HydrophobicContact CZ-CZ3 4.26Å; F521-Y583 HydrophobicContact CD2-CE1 4.34Å; F521-Y583 HydrophobicContact CD2-CE2 4.22Å; F521-Y583 AromaticContact CD2-CZ 3.84Å; F521-Y586 WeakPolarHBondContact O-CB 3.36Å; F521-V587 HydrophobicContact CB-CG2 4.26Å; F521-V587 HydrophobicContact CD1-CB 4.32Å; F521-V587 HydrophobicContact CD1-CG2 3.89Å; F521-V587 HydrophobicContact CD2-CG2 3.51Å; F521-V587 HydrophobicContact CE1-CB 4.29Å; F521-V587 HydrophobicContact CE1-CG1 4.38Å; F521-V587 HydrophobicContact CE1-CG2 4.03Å; F521-V587 HydrophobicContact CE2-CG2 3.67Å; F521-V587 HydrophobicContact CG-CG2 3.62Å; F521-V587 HydrophobicContact CZ-CB 4.45Å; F521-V587 HydrophobicContact CZ-CG1 4.27Å; F521-V587 HydrophobicContact CZ-CG2 3.92Å; F521-A590 HydrophobicContact CD1-CB 4.09Å; F521-A590 HydrophobicContact CE1-CB 4.06Å
522	T	98.4	Very high	98.6	Very high	21 Å²	21	24.3 Å²	24.3	13%	0.129	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.7	172.9	74.1	0	0	0	0	111.4	D520 R527 H571 V579 Y586	D520-T522 PolarHBondContact O-N 3.26Å; D520-T522 WeakPolarHBondContact OD1-CB 3.45Å; D520-T522 WeakPolarHBondContact OD1-CG2 3.37Å; D520-T522 PolarHBondContact OD1-N 3.03Å; D520-T522 PolarHBondContact OD1-OG1 2.71Å; T522-R527 VanDerWaalsContact C-NH1 3.26Å; T522-R527 PolarHBondContact O-NH1 2.86Å; T522-H571 HydrophobicContact CG2-CB 4.15Å; T522-H571 WeakPolarHBondContact CG2-ND1 3.5Å; T522-V579 HydrophobicContact CG2-CB 4.17Å; T522-V579 HydrophobicContact CG2-CG2 4.02Å; T522-Y586 HydrophobicContact CG2-CD2 4.49Å
523	R	98.4	Very high	98.6	Very high	49 Å²	49	20.4 Å²	20.4	19%	0.185	13%	0.129	C	C	.	.	S	Bend	trans	-79.7	125.9	179.1	-55.9	170.6	57.1	83.1	8.8	111.8	D520 F521 D525 M526 R527 E572	D520-R523 HydrophobicContact CB-CG 4.16Å; D520-R523 WeakPolarHBondContact O-CB 3.36Å; D520-R523 PolarHBondContact O-N 2.82Å; D520-R523 VanDerWaalsContact O-N 3.16Å; D520-R523 WeakPolarHBondContact OD2-CG 3.39Å; F521-R523 PolarHBondContact O-N 2.79Å; R523-D525 VanDerWaalsContact C-N 3.28Å; R523-D525 VanDerWaalsContact CB-OD1 3.22Å; R523-D525 WeakPolarHBondContact CB-OD1 3.18Å; R523-D525 IonicContact CZ-OD1 3.45Å; R523-D525 IonicContact CZ-OD2 2.98Å; R523-D525 IonicContact NE-OD1 3.54Å; R523-D525 PolarHBondContact NE-OD1 3.48Å; R523-D525 IonicContact NE-OD2 3.7Å; R523-D525 IonicContact NH2-OD1 2.83Å; R523-D525 PolarHBondContact NH2-OD1 3.5Å; R523-D525 IonicContact NH2-OD2 2.94Å; R523-D525 PolarHBondContact NH2-OD2 3.28Å; R523-D525 PolarHBondContact O-N 3.29Å; R523-M526 HydrophobicContact CB-CB 4.01Å; R523-M526 PolarHBondContact O-N 2.99Å; R523-R527 PolarHBondContact O-N 2.85Å; R523-R527 VanDerWaalsContact O-N 3.16Å; R523-E572 HydrophobicContact CG-CG 3.86Å; R523-E572 IonicContact CZ-OE1 3.83Å; R523-E572 IonicContact NH1-OE1 3.3Å; R523-E572 PolarHBondContact NH1-OE1 3.15Å; R523-E572 IonicContact NH2-OE1 2.75Å
524	P	98.4	Very high	98.7	Very high	84 Å²	84	20 Å²	20	55%	0.545	13%	0.126	S	C	.	.	H	α-helix	trans	-60.7	-33.4	177.4	-23.9	33.3	0	0	0	114.3	R527 A528	P524-R527 PolarHBondContact O-N 2.94Å; P524-A528 PolarHBondContact O-N 2.96Å
525	D	98.6	Very high	98.7	Very high	70 Å²	70	20.2 Å²	20.2	37%	0.374	13%	0.126	S	C	.	.	H	α-helix	trans	-73.8	-35.4	-179.4	62.4	-11.8	0	0	0	113	F497 R523 W529	F497-D525 HydrophobicContact CE1-CB 4.42Å; F497-D525 WeakPolarHBondContact CE1-OD2 3.3Å; F497-D525 HydrophobicContact CZ-CB 4.37Å; R523-D525 VanDerWaalsContact C-N 3.28Å; R523-D525 VanDerWaalsContact CB-OD1 3.22Å; R523-D525 WeakPolarHBondContact CB-OD1 3.18Å; R523-D525 IonicContact CZ-OD1 3.45Å; R523-D525 IonicContact CZ-OD2 2.98Å; R523-D525 IonicContact NE-OD1 3.54Å; R523-D525 PolarHBondContact NE-OD1 3.48Å; R523-D525 IonicContact NE-OD2 3.7Å; R523-D525 IonicContact NH2-OD1 2.83Å; R523-D525 PolarHBondContact NH2-OD1 3.5Å; R523-D525 IonicContact NH2-OD2 2.94Å; R523-D525 PolarHBondContact NH2-OD2 3.28Å; R523-D525 PolarHBondContact O-N 3.29Å; D525-W529 WeakPolarHBondContact O-CB 3.34Å; D525-W529 PolarHBondContact O-N 2.8Å
526	M	98.8	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-46.4	169.3	179.4	-77.3	156.1	0	0	110.2	F497 P519 D520 F521 R523 A528 W529 W530	F497-M526 HydrophobicContact CB-CB 4.35Å; F497-M526 HydrophobicContact CB-CG 4.06Å; F497-M526 HydrophobicContact CD1-CB 4.2Å; F497-M526 HydrophobicContact CD2-CB 4.24Å; F497-M526 HydrophobicContact CD2-CG 4.29Å; F497-M526 HydrophobicContact CG-CB 4.03Å; F497-M526 HydrophobicContact CG-CG 4.17Å; P519-M526 HydrophobicContact CB-CE 3.32Å; P519-M526 HydrophobicContact CB-CG 4.33Å; P519-M526 HydrophobicContact CB-SD 4.27Å; P519-M526 HydrophobicContact CG-CE 4.21Å; D520-M526 WeakPolarHBondContact O-CB 3.39Å; D520-M526 WeakPolarHBondContact O-CG 3.49Å; F521-M526 HydrophobicContact CB-SD 4.28Å; F521-M526 HydrophobicContact CD1-CE 3.72Å; F521-M526 HydrophobicContact CD1-SD 3.56Å; F521-M526 VanDerWaalsContact CD1-SD 3.56Å; F521-M526 HydrophobicContact CD2-CE 3.88Å; F521-M526 HydrophobicContact CD2-SD 4.1Å; F521-M526 HydrophobicContact CE1-CE 3.36Å; F521-M526 HydrophobicContact CE1-SD 3.85Å; F521-M526 HydrophobicContact CE2-CE 3.54Å; F521-M526 HydrophobicContact CE2-SD 4.35Å; F521-M526 HydrophobicContact CG-CE 3.97Å; F521-M526 HydrophobicContact CG-SD 3.7Å; F521-M526 HydrophobicContact CZ-CE 3.27Å; F521-M526 HydrophobicContact CZ-SD 4.24Å; R523-M526 HydrophobicContact CB-CB 4.01Å; R523-M526 PolarHBondContact O-N 2.99Å; M526-A528 PolarHBondContact O-N 2.65Å; M526-W529 PolarHBondContact O-N 3.13Å; M526-W530 HydrophobicContact CE-CB 3.83Å; M526-W530 HydrophobicContact CE-CD2 4.16Å; M526-W530 HydrophobicContact CE-CE3 3.89Å; M526-W530 HydrophobicContact CE-CG 4.18Å; M526-W530 WeakPolarHBondContact O-CB 3.26Å; M526-W530 PolarHBondContact O-N 3.36Å; M526-W530 HydrophobicContact SD-CB 4.49Å
527	R	98.9	Very high	98.6	Very high	9 Å²	9	27.4 Å²	27.4	3%	0.034	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-45	178.2	-67.7	-164.2	-61.7	-88.3	8.4	112.2	D110 F521 T522 R523 P524 W529 W530 A531 A590	D110-R527 IonicContact OD2-NH2 3.32Å; F521-R527 HydrophobicContact CD1-CG 4.35Å; F521-R527 VanDerWaalsContact O-CD 3.31Å; F521-R527 WeakPolarHBondContact O-CD 2.91Å; F521-R527 VanDerWaalsContact O-CG 3.25Å; F521-R527 WeakPolarHBondContact O-CG 3.49Å; F521-R527 PolarHBondContact O-NH1 2.93Å; T522-R527 VanDerWaalsContact C-NH1 3.26Å; T522-R527 PolarHBondContact O-NH1 2.86Å; R523-R527 PolarHBondContact O-N 2.85Å; R523-R527 VanDerWaalsContact O-N 3.16Å; P524-R527 PolarHBondContact O-N 2.94Å; R527-W529 VanDerWaalsContact C-N 3.33Å; R527-W529 PolarHBondContact O-N 3.12Å; R527-W530 WeakPolarHBondContact O-CB 3.34Å; R527-W530 PolarHBondContact O-N 3.4Å; R527-A531 WeakPolarHBondContact O-CB 3.49Å; R527-A531 PolarHBondContact O-N 3.1Å; R527-A590 HydrophobicContact CB-CB 3.85Å; R527-A590 HydrophobicContact CG-CB 3.98Å
528	A	98.9	Very high	98.6	Very high	53 Å²	53	30.3 Å²	30.3	44%	0.438	17%	0.169	S	C	.	.	H	α-helix	trans	-62.2	-40.5	175.9	0	0	0	0	0	112	P524 M526 S532	P524-A528 PolarHBondContact O-N 2.96Å; M526-A528 PolarHBondContact O-N 2.65Å; A528-S532 PolarHBondContact O-N 2.86Å; A528-S532 VanDerWaalsContact O-N 3.1Å
529	W	98.8	Very high	98.6	Very high	15 Å²	15	30.4 Å²	30.4	6%	0.057	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-42.5	174.4	176.8	85.6	0	0	0	111.7	I488 E491 I492 F497 D525 M526 R527 S532 Q533	I488-W529 HydrophobicContact CB-CH2 4.49Å; I488-W529 HydrophobicContact CD1-CH2 4.2Å; I488-W529 HydrophobicContact CD1-CZ2 4.43Å; I488-W529 HydrophobicContact CG2-CH2 3.86Å; E491-W529 HydrophobicContact CB-CH2 4.5Å; E491-W529 HydrophobicContact CB-CZ2 3.6Å; E491-W529 HydrophobicContact CG-CZ2 4.48Å; E491-W529 WeakPolarHBondContact OE2-CZ2 3.2Å; E491-W529 PolarHBondContact OE2-NE1 2.71Å; I492-W529 HydrophobicContact CD1-CH2 3.67Å; I492-W529 HydrophobicContact CD1-CZ3 3.54Å; I492-W529 HydrophobicContact CG1-CE3 4.13Å; I492-W529 HydrophobicContact CG1-CH2 3.35Å; I492-W529 HydrophobicContact CG1-CZ2 4.17Å; I492-W529 HydrophobicContact CG1-CZ3 3.34Å; F497-W529 HydrophobicContact CD2-CB 4.42Å; F497-W529 HydrophobicContact CD2-CD2 4.38Å; F497-W529 HydrophobicContact CD2-CE3 4.45Å; F497-W529 HydrophobicContact CD2-CG 4.37Å; F497-W529 HydrophobicContact CE2-CB 3.63Å; F497-W529 HydrophobicContact CE2-CD2 4.27Å; F497-W529 AromaticContact CE2-CG 3.8Å; F497-W529 HydrophobicContact CE2-CG 3.8Å; F497-W529 HydrophobicContact CZ-CB 4.44Å; D525-W529 WeakPolarHBondContact O-CB 3.34Å; D525-W529 PolarHBondContact O-N 2.8Å; M526-W529 PolarHBondContact O-N 3.13Å; R527-W529 VanDerWaalsContact C-N 3.33Å; R527-W529 PolarHBondContact O-N 3.12Å; W529-S532 PolarHBondContact O-N 2.98Å; W529-S532 PolarHBondContact O-OG 2.8Å; W529-Q533 HydrophobicContact CD2-CG 4.32Å; W529-Q533 HydrophobicContact CE3-CG 4.3Å; W529-Q533 HydrophobicContact CH2-CG 3.86Å; W529-Q533 HydrophobicContact CZ2-CG 3.87Å; W529-Q533 HydrophobicContact CZ3-CG 4.07Å; W529-Q533 WeakPolarHBondContact O-CG 3.33Å; W529-Q533 PolarHBondContact O-N 2.7Å; W529-Q533 PolarHBondContact O-NE2 3.36Å
530	W	98.9	Very high	98.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-47.7	176	-176.6	-98.8	0	0	0	112.1	F448 V476 I480 F521 M526 R527 S532 Q533 F534 A590 T591	F448-W530 HydrophobicContact CE2-CE3 4.21Å; F448-W530 AromaticContact CE2-CH2 3.57Å; F448-W530 HydrophobicContact CE2-CH2 3.57Å; F448-W530 HydrophobicContact CE2-CZ2 4.1Å; F448-W530 AromaticContact CE2-CZ3 3.63Å; F448-W530 HydrophobicContact CE2-CZ3 3.63Å; F448-W530 HydrophobicContact CZ-CD2 4.32Å; F448-W530 HydrophobicContact CZ-CE3 4.27Å; F448-W530 AromaticContact CZ-CH2 3.87Å; F448-W530 HydrophobicContact CZ-CH2 3.87Å; F448-W530 AromaticContact CZ-CZ2 3.91Å; F448-W530 HydrophobicContact CZ-CZ2 3.91Å; F448-W530 HydrophobicContact CZ-CZ3 4.05Å; V476-W530 HydrophobicContact CG1-CH2 3.73Å; V476-W530 HydrophobicContact CG1-CZ2 3.47Å; V476-W530 VanDerWaalsContact CG1-CZ2 3.47Å; I480-W530 HydrophobicContact CD1-CH2 4.3Å; I480-W530 HydrophobicContact CD1-CZ3 4.02Å; F521-W530 HydrophobicContact CE1-CB 4.23Å; F521-W530 AromaticContact CE1-CD1 3.8Å; F521-W530 AromaticContact CE1-CD2 3.82Å; F521-W530 HydrophobicContact CE1-CD2 3.82Å; F521-W530 AromaticContact CE1-CE2 3.98Å; F521-W530 HydrophobicContact CE1-CE3 4.45Å; F521-W530 AromaticContact CE1-CG 3.7Å; F521-W530 HydrophobicContact CE1-CG 3.7Å; F521-W530 AromaticContact CE1-NE1 3.92Å; F521-W530 AromaticContact CZ-CD2 3.69Å; F521-W530 HydrophobicContact CZ-CD2 3.69Å; F521-W530 AromaticContact CZ-CE2 3.77Å; F521-W530 AromaticContact CZ-CE3 3.95Å; F521-W530 HydrophobicContact CZ-CE3 3.95Å; F521-W530 HydrophobicContact CZ-CG 4.09Å; F521-W530 HydrophobicContact CZ-CH2 4.33Å; F521-W530 HydrophobicContact CZ-CZ2 4.1Å; F521-W530 HydrophobicContact CZ-CZ3 4.26Å; M526-W530 HydrophobicContact CE-CB 3.83Å; M526-W530 HydrophobicContact CE-CD2 4.16Å; M526-W530 HydrophobicContact CE-CE3 3.89Å; M526-W530 HydrophobicContact CE-CG 4.18Å; M526-W530 WeakPolarHBondContact O-CB 3.26Å; M526-W530 PolarHBondContact O-N 3.36Å; M526-W530 HydrophobicContact SD-CB 4.49Å; R527-W530 WeakPolarHBondContact O-CB 3.34Å; R527-W530 PolarHBondContact O-N 3.4Å; W530-S532 VanDerWaalsContact C-N 3.26Å; W530-S532 PolarHBondContact O-N 3.23Å; W530-Q533 WeakPolarHBondContact O-CB 3.43Å; W530-Q533 PolarHBondContact O-N 3.42Å; W530-F534 AromaticContact CD1-CE2 3.69Å; W530-F534 HydrophobicContact CG-CE2 4.41Å; W530-F534 AromaticContact NE1-CE2 3.45Å; W530-F534 AromaticContact NE1-CZ 3.88Å; W530-F534 WeakPolarHBondContact O-CD2 3.42Å; W530-A590 HydrophobicContact CB-CB 4.31Å; W530-A590 HydrophobicContact CG-CB 4.24Å; W530-T591 PolarHBondContact NE1-OG1 3.15Å
531	A	98.9	Very high	98.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-53.8	-44.9	175	0	0	0	0	0	111.3	R527 Q533 F534 E593 G594	R527-A531 WeakPolarHBondContact O-CB 3.49Å; R527-A531 PolarHBondContact O-N 3.1Å; A531-Q533 PolarHBondContact O-N 2.81Å; A531-F534 PolarHBondContact O-N 2.94Å; A531-F534 VanDerWaalsContact O-N 3.11Å; A531-E593 HydrophobicContact CB-CB 4.39Å; A531-G594 VanDerWaalsContact O-CA 3.31Å; A531-G594 WeakPolarHBondContact O-CA 3.34Å
532	S	98.8	Very high	98.4	Very high	45 Å²	45	38 Å²	38	32%	0.315	21%	0.207	S	C	.	.	H	α-helix	trans	-62.9	-24.5	178.1	79	0	0	0	0	114.5	A528 W529 W530 F534 A535 Q538	A528-S532 PolarHBondContact O-N 2.86Å; A528-S532 VanDerWaalsContact O-N 3.1Å; W529-S532 PolarHBondContact O-N 2.98Å; W529-S532 PolarHBondContact O-OG 2.8Å; W530-S532 VanDerWaalsContact C-N 3.26Å; W530-S532 PolarHBondContact O-N 3.23Å; S532-F534 PolarHBondContact O-N 3.15Å; S532-A535 WeakPolarHBondContact O-CB 3.31Å; S532-A535 PolarHBondContact O-N 3.14Å; S532-Q538 WeakPolarHBondContact O-CG 3.12Å
533	Q	98.8	Very high	98.3	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.023	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.9	177.7	-59.4	-47.9	-68.8	0	0	112.9	F448 I488 W529 W530 A531 A535 Y539	F448-Q533 HydrophobicContact CD1-CB 4.23Å; F448-Q533 HydrophobicContact CE1-CB 3.8Å; F448-Q533 HydrophobicContact CZ-CB 3.96Å; I488-Q533 HydrophobicContact CD1-CG 4.12Å; W529-Q533 HydrophobicContact CD2-CG 4.32Å; W529-Q533 HydrophobicContact CE3-CG 4.3Å; W529-Q533 HydrophobicContact CH2-CG 3.86Å; W529-Q533 HydrophobicContact CZ2-CG 3.87Å; W529-Q533 HydrophobicContact CZ3-CG 4.07Å; W529-Q533 WeakPolarHBondContact O-CG 3.33Å; W529-Q533 PolarHBondContact O-N 2.7Å; W529-Q533 PolarHBondContact O-NE2 3.36Å; W530-Q533 WeakPolarHBondContact O-CB 3.43Å; W530-Q533 PolarHBondContact O-N 3.42Å; A531-Q533 PolarHBondContact O-N 2.81Å; Q533-A535 VanDerWaalsContact C-N 3.33Å; Q533-Y539 WeakPolarHBondContact O-CB 3.47Å; Q533-Y539 PolarHBondContact O-N 2.74Å
534	F	98.8	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.7	175.2	-70.4	-87.5	0	0	0	114.1	F448 V476 W530 A531 S532 T548 T591 L595 R598	F448-F534 HydrophobicContact CE1-CD1 4.24Å; F448-F534 HydrophobicContact CE1-CD2 4.22Å; F448-F534 AromaticContact CE1-CE1 3.95Å; F448-F534 HydrophobicContact CE1-CE1 3.95Å; F448-F534 AromaticContact CE1-CE2 3.93Å; F448-F534 HydrophobicContact CE1-CE2 3.93Å; F448-F534 HydrophobicContact CE1-CG 4.36Å; F448-F534 AromaticContact CE1-CZ 3.78Å; F448-F534 HydrophobicContact CE1-CZ 3.78Å; F448-F534 HydrophobicContact CZ-CE1 4.49Å; F448-F534 AromaticContact CZ-CE2 3.95Å; F448-F534 HydrophobicContact CZ-CE2 3.95Å; F448-F534 AromaticContact CZ-CZ 3.9Å; F448-F534 HydrophobicContact CZ-CZ 3.9Å; V476-F534 HydrophobicContact CG1-CZ 4.32Å; V476-F534 HydrophobicContact CG2-CE1 4.46Å; W530-F534 AromaticContact CD1-CE2 3.69Å; W530-F534 HydrophobicContact CG-CE2 4.41Å; W530-F534 AromaticContact NE1-CE2 3.45Å; W530-F534 AromaticContact NE1-CZ 3.88Å; W530-F534 WeakPolarHBondContact O-CD2 3.42Å; A531-F534 PolarHBondContact O-N 2.94Å; A531-F534 VanDerWaalsContact O-N 3.11Å; S532-F534 PolarHBondContact O-N 3.15Å; F534-T548 HydrophobicContact CE1-CG2 3.93Å; F534-T548 WeakPolarHBondContact CE1-OG1 3.25Å; F534-T548 HydrophobicContact CZ-CG2 4.28Å; F534-T591 HydrophobicContact CE1-CG2 4.02Å; F534-T591 HydrophobicContact CE2-CG2 4.22Å; F534-T591 HydrophobicContact CZ-CG2 3.64Å; F534-L595 HydrophobicContact CB-CD2 4.49Å; F534-L595 HydrophobicContact CD1-CD2 3.75Å; F534-L595 HydrophobicContact CE1-CD2 4.37Å; F534-L595 HydrophobicContact CG-CD2 4.29Å; F534-R598 WeakPolarHBondContact O-CD 3.21Å
535	A	98.7	Very high	98.3	Very high	24 Å²	24	37.8 Å²	37.8	20%	0.198	20%	0.202	C	C	.	.	S	Bend	trans	-58.4	142.1	173	0	0	0	0	0	110.4	S532 Q533 D537 Q538 Y539	S532-A535 WeakPolarHBondContact O-CB 3.31Å; S532-A535 PolarHBondContact O-N 3.14Å; Q533-A535 VanDerWaalsContact C-N 3.33Å; A535-D537 VanDerWaalsContact CB-OD1 3.25Å; A535-D537 WeakPolarHBondContact CB-OD1 3.27Å; A535-D537 PolarHBondContact O-N 3.12Å; A535-D537 VanDerWaalsContact O-N 3.12Å; A535-Q538 HydrophobicContact CB-CB 4.41Å; A535-Q538 HydrophobicContact CB-CG 4.1Å; A535-Q538 WeakPolarHBondContact O-CA 3.34Å; A535-Q538 PolarHBondContact O-N 3.39Å; A535-Y539 PolarHBondContact O-N 2.96Å
536	Y	98.3	Very high	98.3	Very high	82 Å²	82	34.5 Å²	34.5	32%	0.322	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.5	-172	-61.6	-59.7	0	0	0	114.4	A542 T543 E544 R598	Y536-A542 HydrophobicContact CD1-CB 4.24Å; Y536-T543 VanDerWaalsContact CE1-C 3.42Å; Y536-E544 WeakPolarHBondContact OH-CA 3.36Å; Y536-R598 HydrophobicContact CE2-CB 4.45Å; Y536-R598 WeakPolarHBondContact CE2-O 3.41Å
537	D	97.1	Very high	98.3	Very high	113 Å²	113	35.1 Å²	35.1	60%	0.604	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-18.2	174.4	67.5	-44.6	0	0	0	113	A535	A535-D537 VanDerWaalsContact CB-OD1 3.25Å; A535-D537 WeakPolarHBondContact CB-OD1 3.27Å; A535-D537 PolarHBondContact O-N 3.12Å; A535-D537 VanDerWaalsContact O-N 3.12Å
538	Q	98.2	Very high	98.3	Very high	62 Å²	62	34.8 Å²	34.8	29%	0.29	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-44.9	174.6	-59	-53.5	-49.6	0	0	111.8	S532 A535 E540	S532-Q538 WeakPolarHBondContact O-CG 3.12Å; A535-Q538 HydrophobicContact CB-CB 4.41Å; A535-Q538 HydrophobicContact CB-CG 4.1Å; A535-Q538 WeakPolarHBondContact O-CA 3.34Å; A535-Q538 PolarHBondContact O-N 3.39Å; Q538-E540 PolarHBondContact O-N 3.01Å
539	Y	98.3	Very high	98.3	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	17%	0.165	C	C	.	.	S	Bend	trans	-92	76.6	173.1	-167.3	180	0	0	0	110.2	F448 W450 Q533 A535 G541 A542 L546	F448-Y539 HydrophobicContact CB-CD2 4.17Å; F448-Y539 HydrophobicContact CB-CE2 4.4Å; F448-Y539 HydrophobicContact CD1-CD1 4.03Å; F448-Y539 HydrophobicContact CD1-CD2 4.42Å; F448-Y539 HydrophobicContact CD1-CE1 4.43Å; F448-Y539 HydrophobicContact CD1-CG 4.02Å; W450-Y539 HydrophobicContact CZ2-CE2 4.12Å; W450-Y539 AromaticContact NE1-CE2 3.71Å; Q533-Y539 WeakPolarHBondContact O-CB 3.47Å; Q533-Y539 PolarHBondContact O-N 2.74Å; A535-Y539 PolarHBondContact O-N 2.96Å; Y539-G541 PolarHBondContact O-N 3.42Å; Y539-A542 HydrophobicContact CD1-CB 3.95Å; Y539-A542 HydrophobicContact CG-CB 3.95Å; Y539-A542 VanDerWaalsContact O-CB 3.25Å; Y539-A542 WeakPolarHBondContact O-CB 3.3Å; Y539-A542 PolarHBondContact O-N 2.84Å; Y539-A542 VanDerWaalsContact O-N 3.08Å; Y539-L546 HydrophobicContact CD1-CD2 4.5Å; Y539-L546 HydrophobicContact CE1-CD2 3.9Å
540	E	97.2	Very high	98.3	Very high	151 Å²	151	31.7 Å²	31.7	71%	0.706	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	128.5	-179.2	-66.8	-174.8	-164.6	0	0	111.6	W450 Q538	W450-E540 VanDerWaalsContact CD1-O 3.31Å; W450-E540 PolarHBondContact NE1-O 3.42Å; Q538-E540 PolarHBondContact O-N 3.01Å
541	G	96.8	Very high	98.3	Very high	7 Å²	7	32.2 Å²	32.2	7%	0.072	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	101	-21.3	-177.9	0	0	0	0	0	114.3	K459 L462 Y539	K459-G541 WeakPolarHBondContact CG-O 3.13Å; L462-G541 VanDerWaalsContact CD1-O 3.31Å; L462-G541 WeakPolarHBondContact CD1-O 3.33Å; Y539-G541 PolarHBondContact O-N 3.42Å
542	A	97.8	Very high	98.3	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.033	17%	0.166	C	C	.	.			trans	-68.8	150.4	175.6	0	0	0	0	0	112.8	Y536 Y539 L546	Y536-A542 HydrophobicContact CD1-CB 4.24Å; Y539-A542 HydrophobicContact CD1-CB 3.95Å; Y539-A542 HydrophobicContact CG-CB 3.95Å; Y539-A542 VanDerWaalsContact O-CB 3.25Å; Y539-A542 WeakPolarHBondContact O-CB 3.3Å; Y539-A542 PolarHBondContact O-N 2.84Å; Y539-A542 VanDerWaalsContact O-N 3.08Å; A542-L546 HydrophobicContact CB-CD2 3.66Å
543	T	97.9	Very high	98.3	Very high	32 Å²	32	30.2 Å²	30.2	20%	0.196	15%	0.151	C	C	.	.			trans	-139.4	175	175.5	56.2	0	0	0	0	110.4	K459 L462 Y536 N545 L546	K459-T543 HydrophobicContact CG-CG2 4.32Å; L462-T543 HydrophobicContact CB-CG2 4.47Å; L462-T543 WeakPolarHBondContact CB-OG1 3.49Å; L462-T543 HydrophobicContact CD1-CG2 4.32Å; L462-T543 WeakPolarHBondContact CD1-OG1 3.16Å; Y536-T543 VanDerWaalsContact CE1-C 3.42Å; T543-N545 PolarHBondContact O-N 3.44Å; T543-N545 PolarHBondContact OG1-OD1 3.27Å; T543-L546 PolarHBondContact O-N 3.37Å
544	E	97.4	Very high	98.3	Very high	119 Å²	119	30 Å²	30	56%	0.556	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.2	-177.6	64.2	179.9	-152.6	0	0	115.3	L466 Y536	L466-E544 HydrophobicContact CD2-CG 4.42Å; Y536-E544 WeakPolarHBondContact OH-CA 3.36Å
545	N	98.5	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	9.3	179.7	67.7	-41.6	0	0	0	114.7	L462 L466 R470 K471 M472 T543	L462-N545 PolarHBondContact O-ND2 3.17Å; L466-N545 HydrophobicContact CD1-CB 4.21Å; R470-N545 PolarHBondContact O-ND2 3.38Å; K471-N545 WeakPolarHBondContact CA-O 3.41Å; K471-N545 HydrophobicContact CD-CB 3.48Å; K471-N545 VanDerWaalsContact CD-CB 3.48Å; M472-N545 PolarHBondContact N-O 2.96Å; T543-N545 PolarHBondContact O-N 3.44Å; T543-N545 PolarHBondContact OG1-OD1 3.27Å
546	L	98.9	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.9	171.9	-178.2	65	0	0	0	110.9	W450 L462 M472 A474 Y539 A542 T543 R598	W450-L546 HydrophobicContact CH2-CD2 4.15Å; W450-L546 HydrophobicContact CZ2-CD2 3.97Å; L462-L546 HydrophobicContact CD1-CB 4.29Å; L462-L546 HydrophobicContact CD2-CB 4.09Å; L462-L546 HydrophobicContact CD2-CD1 4.26Å; M472-L546 HydrophobicContact CB-CD1 3.98Å; M472-L546 HydrophobicContact CG-CD1 3.74Å; M472-L546 CarbonylContact O-C 3.55Å; M472-L546 WeakPolarHBondContact O-CA 3.06Å; M472-L546 HydrophobicContact SD-CD1 4.15Å; A474-L546 HydrophobicContact CB-CD1 3.83Å; Y539-L546 HydrophobicContact CD1-CD2 4.5Å; Y539-L546 HydrophobicContact CE1-CD2 3.9Å; A542-L546 HydrophobicContact CB-CD2 3.66Å; T543-L546 PolarHBondContact O-N 3.37Å; L546-R598 PolarHBondContact O-NH1 3.21Å; L546-R598 PolarHBondContact O-NH2 2.82Å
547	Y	98.9	Very high	98.3	Very high	14 Å²	14	24.9 Å²	24.9	6%	0.055	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-178.3	174.9	-68.4	-96.3	0	0	0	110.2	F434 K471 M472 V473 A474 L595 F606	F434-Y547 AromaticContact CE1-CD2 3.57Å; F434-Y547 HydrophobicContact CE1-CD2 3.57Å; F434-Y547 HydrophobicContact CE1-CE2 4.12Å; F434-Y547 HydrophobicContact CE1-CG 4.01Å; F434-Y547 HydrophobicContact CZ-CD2 4.11Å; F434-Y547 HydrophobicContact CZ-CE2 4.25Å; K471-Y547 HydrophobicContact CB-CD2 4.3Å; K471-Y547 HydrophobicContact CB-CE2 4.29Å; K471-Y547 HydrophobicContact CD-CE2 4.29Å; K471-Y547 HydrophobicContact CG-CE2 4.21Å; M472-Y547 PolarHBondContact O-N 2.64Å; V473-Y547 WeakPolarHBondContact CA-O 3.48Å; A474-Y547 PolarHBondContact N-O 3.42Å; Y547-L595 HydrophobicContact CD1-CD1 4.2Å; Y547-F606 HydrophobicContact CD1-CB 3.52Å; Y547-F606 HydrophobicContact CE1-CB 3.91Å; Y547-F606 HydrophobicContact CG-CB 4.2Å; Y547-F606 HydrophobicContact CG-CD1 4.42Å
548	T	98.9	Very high	98.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.5	-167.7	-56.7	0	0	0	0	113.2	A474 V476 F534 T591 V607 L608	A474-T548 WeakPolarHBondContact O-CA 3.49Å; V476-T548 HydrophobicContact CB-CG2 3.86Å; V476-T548 HydrophobicContact CG2-CG2 3.82Å; F534-T548 HydrophobicContact CE1-CG2 3.93Å; F534-T548 WeakPolarHBondContact CE1-OG1 3.25Å; F534-T548 HydrophobicContact CZ-CG2 4.28Å; T548-T591 HydrophobicContact CG2-CG2 3.52Å; T548-V607 WeakPolarHBondContact O-CA 3.48Å; T548-L608 PolarHBondContact O-N 3.22Å
549	W	98.9	Very high	98.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.9	169.8	168.8	22.7	0	0	0	108.2	W436 D438 V473 A474 I475 V476 D551 L608 W623 H684	W436-W549 HydrophobicContact CE3-CB 4.21Å; W436-W549 HydrophobicContact CE3-CD2 4.19Å; W436-W549 AromaticContact CE3-CE3 3.87Å; W436-W549 HydrophobicContact CE3-CE3 3.87Å; W436-W549 HydrophobicContact CE3-CG 4.34Å; W436-W549 HydrophobicContact CZ3-CB 3.66Å; W436-W549 AromaticContact CZ3-CD2 3.97Å; W436-W549 HydrophobicContact CZ3-CD2 3.97Å; W436-W549 HydrophobicContact CZ3-CE3 4.14Å; W436-W549 AromaticContact CZ3-CG 3.76Å; W436-W549 HydrophobicContact CZ3-CG 3.76Å; D438-W549 HydrophobicContact CB-CZ3 4.01Å; V473-W549 HydrophobicContact CG1-CB 3.56Å; A474-W549 PolarHBondContact O-N 3.01Å; I475-W549 CarbonylContact C-O 3.5Å; I475-W549 WeakPolarHBondContact CA-O 3.31Å; I475-W549 HydrophobicContact CB-CD2 4.11Å; I475-W549 HydrophobicContact CB-CE3 3.68Å; I475-W549 HydrophobicContact CB-CZ3 4.21Å; I475-W549 HydrophobicContact CD1-CD2 3.85Å; I475-W549 HydrophobicContact CD1-CE3 3.69Å; I475-W549 HydrophobicContact CD1-CH2 3.67Å; I475-W549 HydrophobicContact CD1-CZ2 3.83Å; I475-W549 HydrophobicContact CD1-CZ3 3.61Å; I475-W549 HydrophobicContact CG1-CB 4.45Å; I475-W549 HydrophobicContact CG1-CD2 3.7Å; I475-W549 HydrophobicContact CG1-CE3 3.69Å; I475-W549 HydrophobicContact CG1-CG 4.08Å; I475-W549 HydrophobicContact CG1-CZ3 4.14Å; V476-W549 PolarHBondContact N-O 3.05Å; W549-D551 HydrophobicContact CZ2-CB 3.85Å; W549-D551 WeakPolarHBondContact CZ2-OD2 3.27Å; W549-L608 HydrophobicContact CG-CD2 4.45Å; W549-W623 AromaticContact CD1-CH2 3.92Å; W549-W623 AromaticContact CD1-CZ3 3.78Å; W549-W623 AromaticContact CE2-CH2 3.69Å; W549-W623 AromaticContact CZ2-CH2 3.91Å; W549-W623 HydrophobicContact CZ2-CH2 3.91Å; W549-W623 AromaticContact CZ2-CZ2 3.92Å; W549-W623 HydrophobicContact CZ2-CZ2 3.92Å; W549-W623 AromaticContact NE1-CH2 2.91Å; W549-W623 AromaticContact NE1-CZ2 3.77Å; W549-W623 AromaticContact NE1-CZ3 3.21Å; W549-H684 AromaticContact CH2-NE2 3.77Å
550	N	98.9	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	112.3	169.2	-61.7	144.8	0	0	0	109.2	V476 V587 T591 V607 L608 T609 R610	V476-N550 PolarHBondContact O-ND2 3.32Å; N550-V587 HydrophobicContact CB-CG1 3.99Å; N550-V587 PolarHBondContact OD1-O 3.17Å; N550-T591 PolarHBondContact ND2-OG1 2.82Å; N550-T591 VanDerWaalsContact ND2-OG1 3.15Å; N550-T591 WeakPolarHBondContact OD1-CB 3.39Å; N550-T591 PolarHBondContact OD1-OG1 2.86Å; N550-V607 WeakPolarHBondContact OD1-CG1 3.46Å; N550-L608 PolarHBondContact N-O 2.91Å; N550-T609 WeakPolarHBondContact O-CA 3.3Å; N550-R610 PolarHBondContact O-N 3.15Å
551	D	98.7	Very high	98.4	Very high	12 Å²	12	17.8 Å²	17.8	6%	0.064	9%	0.093	C	C	.	.			trans	-109.1	175.5	170.6	-159.7	10.5	0	0	0	110.4	I475 D477 P478 W549 N553 R610 W623	I475-D551 HydrophobicContact CD1-CB 3.66Å; I475-D551 HydrophobicContact CG1-CB 4.16Å; D477-D551 WeakPolarHBondContact OD1-CA 3.31Å; D477-D551 VanDerWaalsContact OD1-CB 3.29Å; D477-D551 WeakPolarHBondContact OD1-CB 3.42Å; D477-D551 PolarHBondContact OD1-N 3.22Å; P478-D551 WeakPolarHBondContact CD-O 3.35Å; W549-D551 HydrophobicContact CZ2-CB 3.85Å; W549-D551 WeakPolarHBondContact CZ2-OD2 3.27Å; D551-N553 PolarHBondContact O-N 2.92Å; D551-R610 WeakPolarHBondContact OD1-CD 3.22Å; D551-R610 IonicContact OD1-CZ 3.68Å; D551-R610 IonicContact OD1-NE 2.68Å; D551-R610 PolarHBondContact OD1-NE 2.87Å; D551-R610 IonicContact OD1-NH1 3.8Å; D551-R610 PolarHBondContact OD1-NH1 3.34Å; D551-R610 IonicContact OD1-NH2 3.25Å; D551-R610 IonicContact OD2-NH1 3.96Å; D551-W623 HydrophobicContact CB-CH2 4.35Å; D551-W623 WeakPolarHBondContact OD1-CH2 3.17Å
552	M	98.6	Very high	98.5	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.015	9%	0.091	C	C	.	.	S	Bend	trans	57.2	24.7	171.8	-41.4	-54.9	-71.8	0	0	113.5	D292 D477 W512 E554 S556 F558 R610	D292-M552 WeakPolarHBondContact OD2-CE 3.44Å; D477-M552 HydrophobicContact CB-CB 4.24Å; D477-M552 HydrophobicContact CB-CG 4.39Å; W512-M552 HydrophobicContact CZ2-CE 3.87Å; W512-M552 HydrophobicContact CZ2-SD 4.36Å; M552-E554 VanDerWaalsContact C-OE2 3.25Å; M552-E554 WeakPolarHBondContact CA-OE2 3.46Å; M552-S556 WeakPolarHBondContact CE-OG 3.37Å; M552-S556 PolarHBondContact O-N 2.83Å; M552-F558 HydrophobicContact CE-CE1 3.65Å; M552-F558 HydrophobicContact CE-CZ 4.05Å; M552-R610 VanDerWaalsContact SD-CZ 3.56Å; M552-R610 PolarHBondContact SD-NH1 2.78Å; M552-R610 PolarHBondContact SD-NH2 2.99Å
553	N	98.9	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	18.3	-168	70.2	-50.5	0	0	0	114.1	P478 D551 Y583 G584 V587 T609 R610 A611	P478-N553 HydrophobicContact CG-CB 3.68Å; D551-N553 PolarHBondContact O-N 2.92Å; N553-Y583 WeakPolarHBondContact O-CD1 3.37Å; N553-G584 WeakPolarHBondContact ND2-CA 3.39Å; N553-G584 PolarHBondContact ND2-O 3.27Å; N553-G584 VanDerWaalsContact ND2-O 3.16Å; N553-G584 WeakPolarHBondContact O-CA 3.32Å; N553-G584 PolarHBondContact O-N 2.87Å; N553-V587 HydrophobicContact CB-CB 4.17Å; N553-V587 HydrophobicContact CB-CG1 4.12Å; N553-V587 HydrophobicContact CB-CG2 4.21Å; N553-T609 PolarHBondContact ND2-OG1 2.98Å; N553-R610 PolarHBondContact OD1-N 3.23Å; N553-A611 PolarHBondContact ND2-O 3.03Å; N553-A611 VanDerWaalsContact ND2-O 3.1Å; N553-A611 WeakPolarHBondContact O-CB 3.38Å; N553-A611 PolarHBondContact OD1-N 3.16Å
554	E	98.9	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-46.2	172.8	-65.2	71.1	-144.7	0	0	114.1	N290 M552 R610 A611	N290-E554 HydrophobicContact CB-CB 4.16Å; N290-E554 HydrophobicContact CB-CG 4.2Å; N290-E554 WeakPolarHBondContact O-CB 3.27Å; M552-E554 VanDerWaalsContact C-OE2 3.25Å; M552-E554 WeakPolarHBondContact CA-OE2 3.46Å; E554-R610 IonicContact OE1-CZ 3.35Å; E554-R610 IonicContact OE1-NE 3.56Å; E554-R610 PolarHBondContact OE1-NE 2.86Å; E554-R610 IonicContact OE1-NH2 3.63Å; E554-R610 PolarHBondContact OE1-NH2 3.34Å; E554-R610 IonicContact OE2-CZ 3.76Å; E554-R610 IonicContact OE2-NE 2.75Å; E554-R610 IonicContact OE2-NH2 3.88Å; E554-R610 PolarHBondContact OE2-NH2 3.24Å; E554-A611 HydrophobicContact CB-CB 4.41Å; E554-A611 HydrophobicContact CG-CB 4.01Å
555	P	98.8	Very high	98.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.7	141.5	6.9	31.9	-33.4	0	0	0	114.7	Y518 T564 M565 Y583	Y518-P555 HydrophobicContact CD1-CB 3.97Å; Y518-P555 HydrophobicContact CE1-CB 4.16Å; P555-T564 WeakPolarHBondContact O-CA 3.32Å; P555-T564 WeakPolarHBondContact O-CB 3.43Å; P555-T564 PolarHBondContact O-OG1 3.1Å; P555-M565 HydrophobicContact CG-CB 4.04Å; P555-M565 HydrophobicContact CG-CE 4.05Å; P555-Y583 HydrophobicContact CB-CD1 4Å; P555-Y583 HydrophobicContact CB-CE1 3.65Å; P555-Y583 HydrophobicContact CG-CD1 4.1Å; P555-Y583 HydrophobicContact CG-CE1 4.06Å; P555-Y583 HydrophobicContact CG-CG 4.4Å
556	S	98.8	Very high	98.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-78.5	124.3	172.6	-178.3	0	0	0	0	111.2	D292 Y518 M552 V563	D292-S556 VanDerWaalsContact OD2-CB 3.29Å; D292-S556 WeakPolarHBondContact OD2-CB 3.48Å; D292-S556 PolarHBondContact OD2-OG 3.06Å; Y518-S556 PolarHBondContact OH-O 2.92Å; M552-S556 WeakPolarHBondContact CE-OG 3.37Å; M552-S556 PolarHBondContact O-N 2.83Å; S556-V563 WeakPolarHBondContact CA-O 3.41Å
557	V	98.8	Very high	98.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.			trans	-132.1	102.9	179.4	-170	0	0	0	0	108.6	Y507 Y518 N559 G560 V563 M565	Y507-V557 HydrophobicContact CE1-CG1 4.33Å; Y507-V557 HydrophobicContact CE1-CG2 4.47Å; Y518-V557 HydrophobicContact CD1-CG2 4.45Å; Y518-V557 HydrophobicContact CE1-CG2 3.75Å; Y518-V557 HydrophobicContact CE2-CG1 4.35Å; Y518-V557 HydrophobicContact CE2-CG2 4.21Å; V557-N559 PolarHBondContact O-N 2.99Å; V557-N559 VanDerWaalsContact O-N 3.1Å; V557-G560 PolarHBondContact O-N 3.13Å; V557-V563 PolarHBondContact N-O 3.36Å; V557-V563 CarbonylContact O-C 3.45Å; V557-V563 VanDerWaalsContact O-C 3.29Å; V557-V563 VanDerWaalsContact O-CA 3.29Å; V557-V563 WeakPolarHBondContact O-CA 3.38Å; V557-M565 HydrophobicContact CG2-CB 4.4Å
558	F	98.4	Very high	98.6	Very high	82 Å²	82	14.6 Å²	14.6	36%	0.36	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.1	-168.9	-62.7	-13.9	0	0	0	114.6	W510 C511 W512 M552 V563	W510-F558 WeakPolarHBondContact O-CB 3.46Å; W510-F558 PolarHBondContact O-N 2.76Å; C511-F558 VanDerWaalsContact CA-CD2 3.48Å; C511-F558 HydrophobicContact CB-CE2 4.48Å; C511-F558 VanDerWaalsContact SG-CZ 3.59Å; W512-F558 AromaticContact CD2-CE2 3.97Å; W512-F558 HydrophobicContact CD2-CE2 3.97Å; W512-F558 AromaticContact CD2-CZ 3.59Å; W512-F558 HydrophobicContact CD2-CZ 3.59Å; W512-F558 AromaticContact CE2-CZ 3.69Å; W512-F558 AromaticContact CE3-CE2 3.61Å; W512-F558 HydrophobicContact CE3-CE2 3.61Å; W512-F558 AromaticContact CE3-CZ 3.59Å; W512-F558 HydrophobicContact CE3-CZ 3.59Å; W512-F558 HydrophobicContact CG-CZ 4.28Å; W512-F558 HydrophobicContact CH2-CE2 4.34Å; W512-F558 AromaticContact CH2-CZ 3.73Å; W512-F558 HydrophobicContact CH2-CZ 3.73Å; W512-F558 AromaticContact CZ2-CZ 3.77Å; W512-F558 HydrophobicContact CZ2-CZ 3.77Å; W512-F558 AromaticContact CZ3-CE2 3.81Å; W512-F558 HydrophobicContact CZ3-CE2 3.81Å; W512-F558 AromaticContact CZ3-CZ 3.65Å; W512-F558 HydrophobicContact CZ3-CZ 3.65Å; M552-F558 HydrophobicContact CE-CE1 3.65Å; M552-F558 HydrophobicContact CE-CZ 4.05Å; F558-V563 HydrophobicContact CD1-CG1 4.25Å
559	N	97.6	Very high	98.6	Very high	71 Å²	71	14.6 Å²	14.6	38%	0.38	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	13.7	177.5	74.9	-44.4	0	0	0	112.9	H242 W510 V557	H242-N559 PolarHBondContact CE1-O 2.84Å; W510-N559 HydrophobicContact CB-CB 4.23Å; W510-N559 HydrophobicContact CG-CB 4.5Å; W510-N559 PolarHBondContact N-OD1 3.08Å; V557-N559 PolarHBondContact O-N 2.99Å; V557-N559 VanDerWaalsContact O-N 3.1Å
560	G	98.1	Very high	98.5	Very high	8 Å²	8	17 Å²	17	8%	0.082	9%	0.087	C	C	.	.	S	Bend	trans	-91.4	164	177.1	0	0	0	0	0	112.6	V557 E562 V563 T564	V557-G560 PolarHBondContact O-N 3.13Å; G560-E562 PolarHBondContact O-N 3.32Å; G560-V563 PolarHBondContact O-N 2.85Å; G560-T564 CarbonylContact C-O 3.47Å; G560-T564 VanDerWaalsContact CA-O 3.26Å; G560-T564 WeakPolarHBondContact CA-O 3.27Å
561	P	97.9	Very high	98.5	Very high	18 Å²	18	17 Å²	17	12%	0.117	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-58.9	131.7	172	26.3	-34	0	0	0	110	H242 V563 T564	H242-P561 HydrophobicContact CB-CB 3.85Å; H242-P561 HydrophobicContact CB-CG 4.23Å; P561-V563 PolarHBondContact O-N 3.09Å; P561-V563 VanDerWaalsContact O-N 3.07Å; P561-T564 VanDerWaalsContact CD-O 3.3Å; P561-T564 WeakPolarHBondContact CD-O 3.17Å; P561-T564 WeakPolarHBondContact O-CG2 3.45Å; P561-T564 PolarHBondContact O-N 2.92Å
562	E	98.4	Very high	98.2	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.042	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	56.2	24.9	179.7	-47.8	-171.9	-106.6	0	0	113.4	N30 F31 K32 F239 R287 L291 G560 T564	N30-E562 WeakPolarHBondContact O-CA 3.31Å; F31-E562 HydrophobicContact CD1-CB 4.16Å; K32-E562 WeakPolarHBondContact CD-OE1 3.32Å; K32-E562 HydrophobicContact CG-CG 4.47Å; K32-E562 PolarHBondContact N-OE2 2.66Å; F239-E562 HydrophobicContact CD1-CG 4.02Å; F239-E562 HydrophobicContact CE1-CG 3.65Å; F239-E562 HydrophobicContact CZ-CG 4.47Å; R287-E562 IonicContact CZ-OE2 3.64Å; R287-E562 IonicContact NH1-OE2 3.52Å; R287-E562 PolarHBondContact NH1-OE2 3.35Å; R287-E562 IonicContact NH2-OE1 3.57Å; R287-E562 PolarHBondContact NH2-OE1 2.87Å; R287-E562 IonicContact NH2-OE2 2.7Å; R287-E562 PolarHBondContact NH2-OE2 3.01Å; R287-E562 VanDerWaalsContact NH2-OE2 3.11Å; L291-E562 HydrophobicContact CD2-CB 3.91Å; L291-E562 WeakPolarHBondContact CD2-O 3.3Å; G560-E562 PolarHBondContact O-N 3.32Å; E562-T564 PolarHBondContact O-N 3.18Å
563	V	98.4	Very high	98	Very high	30 Å²	30	26.2 Å²	26.2	18%	0.182	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	64.1	28.1	-175.5	-157.6	0	0	0	0	112.5	D292 S556 V557 F558 G560 P561	D292-V563 HydrophobicContact CB-CG1 4.16Å; S556-V563 WeakPolarHBondContact CA-O 3.41Å; V557-V563 PolarHBondContact N-O 3.36Å; V557-V563 CarbonylContact O-C 3.45Å; V557-V563 VanDerWaalsContact O-C 3.29Å; V557-V563 VanDerWaalsContact O-CA 3.29Å; V557-V563 WeakPolarHBondContact O-CA 3.38Å; F558-V563 HydrophobicContact CD1-CG1 4.25Å; G560-V563 PolarHBondContact O-N 2.85Å; P561-V563 PolarHBondContact O-N 3.09Å; P561-V563 VanDerWaalsContact O-N 3.07Å
564	T	98.8	Very high	97.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-138.3	179.7	174.6	-164.8	0	0	0	0	112.8	Y289 L291 P555 G560 P561 E562 H580	Y289-T564 HydrophobicContact CE1-CG2 3.78Å; L291-T564 HydrophobicContact CD2-CG2 3.87Å; P555-T564 WeakPolarHBondContact O-CA 3.32Å; P555-T564 WeakPolarHBondContact O-CB 3.43Å; P555-T564 PolarHBondContact O-OG1 3.1Å; G560-T564 CarbonylContact C-O 3.47Å; G560-T564 VanDerWaalsContact CA-O 3.26Å; G560-T564 WeakPolarHBondContact CA-O 3.27Å; P561-T564 VanDerWaalsContact CD-O 3.3Å; P561-T564 WeakPolarHBondContact CD-O 3.17Å; P561-T564 WeakPolarHBondContact O-CG2 3.45Å; P561-T564 PolarHBondContact O-N 2.92Å; E562-T564 PolarHBondContact O-N 3.18Å; T564-H580 PolarHBondContact OG1-CE1 2.98Å
565	M	98.7	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.			trans	-61.8	149.2	-178.6	179.5	90.7	66.9	0	0	111.8	V499 Y507 Y518 P555 V557 A569 H576	V499-M565 HydrophobicContact CB-CE 4.14Å; V499-M565 HydrophobicContact CG1-CE 3.96Å; V499-M565 HydrophobicContact CG1-SD 4.01Å; V499-M565 HydrophobicContact CG2-CE 4.11Å; Y507-M565 HydrophobicContact CD1-CE 3.95Å; Y507-M565 HydrophobicContact CD1-SD 3.21Å; Y507-M565 WeakPolarHBondContact CD1-SD 3.38Å; Y507-M565 HydrophobicContact CD2-SD 3.52Å; Y507-M565 VanDerWaalsContact CD2-SD 3.52Å; Y507-M565 HydrophobicContact CE1-CE 4.1Å; Y507-M565 HydrophobicContact CE1-SD 3.19Å; Y507-M565 WeakPolarHBondContact CE1-SD 3.33Å; Y507-M565 HydrophobicContact CE2-CG 4.35Å; Y507-M565 HydrophobicContact CE2-SD 3.49Å; Y507-M565 WeakPolarHBondContact CE2-SD 3.4Å; Y507-M565 HydrophobicContact CG-CE 4.43Å; Y507-M565 HydrophobicContact CG-SD 3.37Å; Y518-M565 HydrophobicContact CD1-CE 4.36Å; Y518-M565 HydrophobicContact CG-CE 3.95Å; P555-M565 HydrophobicContact CG-CB 4.04Å; P555-M565 HydrophobicContact CG-CE 4.05Å; V557-M565 HydrophobicContact CG2-CB 4.4Å; M565-A569 HydrophobicContact CG-CB 3.76Å; M565-A569 HydrophobicContact SD-CB 3.88Å; M565-H576 WeakPolarHBondContact CB-NE2 3.39Å; M565-H576 HydrophobicContact CG-CB 4.21Å
566	H	98.6	Very high	97.9	Very high	47 Å²	47	30 Å²	30	22%	0.218	16%	0.155	C	C	.	.			trans	-62.9	136.2	173.9	-67.7	71.9	0	0	0	111	H242 Y507 D568 A569 H576	H242-H566 AromaticContact CG-NE2 3.94Å; H242-H566 AromaticContact ND1-CE1 3.68Å; H242-H566 AromaticContact ND1-NE2 3.06Å; H242-H566 PolarHBondContact ND1-NE2 3.27Å; Y507-H566 HydrophobicContact CE2-CB 4.22Å; Y507-H566 AromaticContact CE2-ND1 3.48Å; Y507-H566 WeakPolarHBondContact CE2-ND1 3.42Å; Y507-H566 AromaticContact CZ-ND1 3.67Å; Y507-H566 PolarHBondContact OH-ND1 3.41Å; H566-D568 PolarHBondContact O-N 3.4Å; H566-A569 VanDerWaalsContact O-CB 3.24Å; H566-A569 WeakPolarHBondContact O-CB 3.29Å; H566-A569 PolarHBondContact O-N 3.1Å; H566-H576 WeakPolarHBondContact O-CB 3.3Å
567	K	98.7	Very high	97.9	Very high	14 Å²	14	30.2 Å²	30.2	6%	0.061	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.4	-177.5	-72.2	-158.3	178.7	-164.3	0	114.7	E329 E367 H576 R577	E329-K567 IonicContact OE2-NZ 3.76Å; E329-K567 PolarHBondContact OE2-NZ 3.03Å; E367-K567 WeakPolarHBondContact OE1-CD 3.45Å; E367-K567 IonicContact OE1-NZ 3.04Å; E367-K567 PolarHBondContact OE1-NZ 3.33Å; E367-K567 WeakPolarHBondContact OE2-CE 3.42Å; E367-K567 IonicContact OE2-NZ 3.33Å; E367-K567 PolarHBondContact OE2-NZ 3.44Å; K567-H576 PolarHBondContact O-N 2.97Å; K567-R577 HydrophobicContact CB-CB 4.2Å; K567-R577 HydrophobicContact CD-CB 4.22Å; K567-R577 HydrophobicContact CG-CB 4.42Å; K567-R577 PolarHBondContact O-N 2.8Å; K567-R577 VanDerWaalsContact O-N 3.15Å
568	D	98.1	Very high	97.9	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.043	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.2	178.8	63	-4.8	0	0	0	113.5	S245 K502 H566	S245-D568 VanDerWaalsContact CB-OD2 3.27Å; S245-D568 WeakPolarHBondContact CB-OD2 3.14Å; S245-D568 PolarHBondContact N-OD2 3.3Å; S245-D568 PolarHBondContact OG-OD2 3.19Å; K502-D568 VanDerWaalsContact CD-OD2 3.27Å; K502-D568 WeakPolarHBondContact CD-OD2 3.25Å; K502-D568 IonicContact NZ-OD2 2.66Å; H566-D568 PolarHBondContact O-N 3.4Å
569	A	98.6	Very high	97.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	14%	0.142	C	C	.	.			trans	-64.9	151.4	161.9	0	0	0	0	0	110	V499 K500 Y507 M565 H566 E575 H576	V499-A569 HydrophobicContact CG1-CB 4.04Å; K500-A569 CarbonylContact O-C 3.55Å; K500-A569 WeakPolarHBondContact O-CA 3.44Å; K500-A569 WeakPolarHBondContact O-CB 3.33Å; Y507-A569 HydrophobicContact CD2-CB 4.12Å; Y507-A569 HydrophobicContact CE2-CB 4.45Å; M565-A569 HydrophobicContact CG-CB 3.76Å; M565-A569 HydrophobicContact SD-CB 3.88Å; H566-A569 VanDerWaalsContact O-CB 3.24Å; H566-A569 WeakPolarHBondContact O-CB 3.29Å; H566-A569 PolarHBondContact O-N 3.1Å; A569-E575 CarbonylContact O-C 3.29Å; A569-E575 WeakPolarHBondContact O-CA 3.5Å; A569-H576 HydrophobicContact CB-CB 4.12Å; A569-H576 PolarHBondContact O-N 3.41Å
570	M	98.5	Very high	98	Very high	52 Å²	52	23.4 Å²	23.4	26%	0.256	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.1	-169.7	-62.4	-60.5	-55.5	0	0	111.5	K500 W574 E575	K500-M570 HydrophobicContact CB-CB 4.21Å; K500-M570 PolarHBondContact N-O 3.22Å; K500-M570 PolarHBondContact O-N 3.37Å; M570-W574 WeakPolarHBondContact CA-O 3.38Å; M570-E575 HydrophobicContact SD-CG 3.86Å
571	H	98.3	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	94.6	170.3	-68.3	-96.8	0	0	0	108.2	V499 D520 T522 S573 W574 H576 V579 Y583	V499-H571 WeakPolarHBondContact CG2-CE1 3.42Å; D520-H571 IonicContact OD1-CE1 2.93Å; D520-H571 IonicContact OD1-CG 3.86Å; D520-H571 IonicContact OD1-ND1 2.73Å; D520-H571 PolarHBondContact OD1-ND1 3.28Å; D520-H571 WeakPolarHBondContact OD2-CA 3.31Å; D520-H571 IonicContact OD2-ND1 2.79Å; T522-H571 HydrophobicContact CG2-CB 4.15Å; T522-H571 WeakPolarHBondContact CG2-ND1 3.5Å; H571-S573 PolarHBondContact O-N 3.43Å; H571-W574 PolarHBondContact N-O 2.91Å; H571-W574 PolarHBondContact O-N 3.05Å; H571-H576 AromaticContact CD2-ND1 3.78Å; H571-H576 AromaticContact CE1-ND1 3.91Å; H571-H576 AromaticContact NE2-CE1 3.93Å; H571-H576 AromaticContact NE2-CG 3.81Å; H571-H576 AromaticContact NE2-ND1 2.93Å; H571-H576 PolarHBondContact NE2-ND1 3.18Å; H571-V579 HydrophobicContact CB-CG2 4.22Å; H571-Y583 AromaticContact CE1-CD2 3.89Å
572	E	92.2	Very high	98.1	Very high	113 Å²	113	22.2 Å²	22.2	53%	0.528	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	-101.3	-164.2	-56.7	-165.4	117.3	0	0	113	R523	R523-E572 HydrophobicContact CG-CG 3.86Å; R523-E572 IonicContact CZ-OE1 3.83Å; R523-E572 IonicContact NH1-OE1 3.3Å; R523-E572 PolarHBondContact NH1-OE1 3.15Å; R523-E572 IonicContact NH2-OE1 2.75Å
573	S	93.8	Very high	98.1	Very high	97 Å²	97	21.8 Å²	21.8	68%	0.678	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-4.1	-179.4	-57.7	0	0	0	0	113.7	H571	H571-S573 PolarHBondContact O-N 3.43Å
574	W	97.9	Very high	98.1	Very high	75 Å²	75	20.4 Å²	20.4	28%	0.284	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.8	-176	-61.5	113.6	0	0	0	111.3	P104 Y106 M570 H571 D578 V579	P104-W574 HydrophobicContact CB-CH2 4.09Å; P104-W574 WeakPolarHBondContact O-CH2 3.43Å; P104-W574 WeakPolarHBondContact O-CZ3 3.38Å; Y106-W574 AromaticContact CD2-CD2 3.44Å; Y106-W574 HydrophobicContact CD2-CD2 3.44Å; Y106-W574 VanDerWaalsContact CD2-CD2 3.44Å; Y106-W574 AromaticContact CD2-CE2 3.52Å; Y106-W574 AromaticContact CD2-CE3 3.75Å; Y106-W574 HydrophobicContact CD2-CE3 3.75Å; Y106-W574 AromaticContact CD2-CG 3.81Å; Y106-W574 HydrophobicContact CD2-CG 3.81Å; Y106-W574 HydrophobicContact CD2-CH2 4.18Å; Y106-W574 AromaticContact CD2-CZ2 3.91Å; Y106-W574 HydrophobicContact CD2-CZ2 3.91Å; Y106-W574 HydrophobicContact CD2-CZ3 4.11Å; Y106-W574 AromaticContact CD2-NE1 3.88Å; Y106-W574 AromaticContact CE2-CD1 3.82Å; Y106-W574 HydrophobicContact CE2-CD2 4.02Å; Y106-W574 AromaticContact CE2-CE2 3.99Å; Y106-W574 AromaticContact CE2-CG 3.93Å; Y106-W574 HydrophobicContact CE2-CG 3.93Å; Y106-W574 AromaticContact CE2-NE1 3.84Å; Y106-W574 HydrophobicContact CG-CD2 4.45Å; Y106-W574 HydrophobicContact CG-CE3 4.37Å; M570-W574 WeakPolarHBondContact CA-O 3.38Å; H571-W574 PolarHBondContact N-O 2.91Å; H571-W574 PolarHBondContact O-N 3.05Å; W574-D578 HydrophobicContact CB-CB 4.42Å; W574-V579 HydrophobicContact CB-CG1 4.11Å
575	E	98.6	Very high	98.1	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.019	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	154.8	174.4	-68.7	177.4	69.7	0	0	109.1	K103 P247 S248 A569 M570 R577 D578	K103-E575 IonicContact NZ-OE2 2.98Å; K103-E575 PolarHBondContact NZ-OE2 3.14Å; P247-E575 WeakPolarHBondContact CD-OE1 3.25Å; S248-E575 PolarHBondContact OG-OE2 2.86Å; A569-E575 CarbonylContact O-C 3.29Å; A569-E575 WeakPolarHBondContact O-CA 3.5Å; M570-E575 HydrophobicContact SD-CG 3.86Å; E575-R577 HydrophobicContact CB-CG 3.82Å; E575-R577 PolarHBondContact O-N 3.07Å; E575-R577 IonicContact OE1-CZ 3.99Å; E575-R577 IonicContact OE1-NE 3.28Å; E575-R577 PolarHBondContact OE1-NE 3Å; E575-R577 IonicContact OE1-NH2 3.96Å; E575-R577 PolarHBondContact OE1-NH2 3.16Å; E575-D578 PolarHBondContact N-OD2 3.49Å; E575-D578 WeakPolarHBondContact O-CB 3.47Å; E575-D578 PolarHBondContact O-N 2.72Å
576	H	98.9	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.7	-34.5	177.4	-173.7	68.2	0	0	0	111.7	M565 H566 K567 A569 H571 D578 V579 H580	M565-H576 WeakPolarHBondContact CB-NE2 3.39Å; M565-H576 HydrophobicContact CG-CB 4.21Å; H566-H576 WeakPolarHBondContact O-CB 3.3Å; K567-H576 PolarHBondContact O-N 2.97Å; A569-H576 HydrophobicContact CB-CB 4.12Å; A569-H576 PolarHBondContact O-N 3.41Å; H571-H576 AromaticContact CD2-ND1 3.78Å; H571-H576 AromaticContact CE1-ND1 3.91Å; H571-H576 AromaticContact NE2-CE1 3.93Å; H571-H576 AromaticContact NE2-CG 3.81Å; H571-H576 AromaticContact NE2-ND1 2.93Å; H571-H576 PolarHBondContact NE2-ND1 3.18Å; H576-D578 PolarHBondContact O-N 3.4Å; H576-D578 VanDerWaalsContact O-N 3.11Å; H576-V579 PolarHBondContact O-N 3.12Å; H576-V579 VanDerWaalsContact O-N 3.13Å; H576-H580 AromaticContact CD2-ND1 3.68Å; H576-H580 AromaticContact CE1-ND1 3.7Å; H576-H580 AromaticContact NE2-CE1 3.91Å; H576-H580 AromaticContact NE2-CG 3.64Å; H576-H580 AromaticContact NE2-ND1 2.83Å; H576-H580 PolarHBondContact NE2-ND1 3.44Å; H576-H580 WeakPolarHBondContact O-CA 3.4Å; H576-H580 WeakPolarHBondContact O-CB 3.48Å; H576-H580 PolarHBondContact O-N 3.48Å
577	R	98.8	Very high	98.2	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-54.6	-28.6	173.3	74.1	178.9	73.2	-109.7	-2.1	114.3	D244 A328 E367 K567 E575	D244-R577 IonicContact OD1-CZ 2.65Å; D244-R577 IonicContact OD1-NH2 2.84Å; D244-R577 PolarHBondContact OD1-NH2 3.17Å; D244-R577 IonicContact OD2-CZ 3.86Å; D244-R577 IonicContact OD2-NH1 3.05Å; D244-R577 PolarHBondContact OD2-NH1 3.46Å; D244-R577 IonicContact OD2-NH2 3.73Å; D244-R577 PolarHBondContact OD2-NH2 2.84Å; A328-R577 WeakPolarHBondContact CA-O 3.31Å; A328-R577 WeakPolarHBondContact CB-O 3.01Å; E367-R577 IonicContact OE1-CZ 2.77Å; E367-R577 IonicContact OE1-NH1 3.23Å; E367-R577 PolarHBondContact OE1-NH1 3.34Å; K567-R577 HydrophobicContact CB-CB 4.2Å; K567-R577 HydrophobicContact CD-CB 4.22Å; K567-R577 HydrophobicContact CG-CB 4.42Å; K567-R577 PolarHBondContact O-N 2.8Å; K567-R577 VanDerWaalsContact O-N 3.15Å; E575-R577 HydrophobicContact CB-CG 3.82Å; E575-R577 PolarHBondContact O-N 3.07Å; E575-R577 IonicContact OE1-CZ 3.99Å; E575-R577 IonicContact OE1-NE 3.28Å; E575-R577 PolarHBondContact OE1-NE 3Å; E575-R577 IonicContact OE1-NH2 3.96Å; E575-R577 PolarHBondContact OE1-NH2 3.16Å
578	D	98.8	Very high	98.2	Very high	10 Å²	10	17.6 Å²	17.6	5%	0.053	9%	0.091	C	C	.	.	H	α-helix	trans	-80.6	-27.1	-176.2	-59.7	-44.9	0	0	0	111.8	Y106 A327 S368 W574 E575 H576	Y106-D578 HydrophobicContact CD1-CB 4.35Å; Y106-D578 WeakPolarHBondContact CD1-O 3.45Å; Y106-D578 HydrophobicContact CD2-CB 4.39Å; Y106-D578 WeakPolarHBondContact CE1-O 3.37Å; Y106-D578 HydrophobicContact CG-CB 4.01Å; A327-D578 WeakPolarHBondContact CB-O 3.38Å; S368-D578 WeakPolarHBondContact CB-OD1 3.34Å; S368-D578 PolarHBondContact OG-OD1 3.45Å; W574-D578 HydrophobicContact CB-CB 4.42Å; E575-D578 PolarHBondContact N-OD2 3.49Å; E575-D578 WeakPolarHBondContact O-CB 3.47Å; E575-D578 PolarHBondContact O-N 2.72Å; H576-D578 PolarHBondContact O-N 3.4Å; H576-D578 VanDerWaalsContact O-N 3.11Å
579	V	98.8	Very high	98.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-123	-5.1	-166.5	-55.3	0	0	0	0	114	Y106 T522 H571 W574 H576 N581 L582 Y583	Y106-V579 HydrophobicContact CD2-CG1 4.46Å; Y106-V579 HydrophobicContact CE1-CG1 4.07Å; Y106-V579 HydrophobicContact CE2-CG1 3.79Å; T522-V579 HydrophobicContact CG2-CB 4.17Å; T522-V579 HydrophobicContact CG2-CG2 4.02Å; H571-V579 HydrophobicContact CB-CG2 4.22Å; W574-V579 HydrophobicContact CB-CG1 4.11Å; H576-V579 PolarHBondContact O-N 3.12Å; H576-V579 VanDerWaalsContact O-N 3.13Å; V579-N581 PolarHBondContact O-N 3.48Å; V579-L582 WeakPolarHBondContact O-CA 3.37Å; V579-L582 WeakPolarHBondContact O-CB 3.23Å; V579-L582 PolarHBondContact O-N 3.25Å; V579-Y583 PolarHBondContact O-N 3Å
580	H	98.9	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-45.9	-55.3	-169.3	173.9	86.1	0	0	0	113.1	Y289 N290 T564 H576 L582 Y583	Y289-H580 AromaticContact CD1-NE2 3.82Å; Y289-H580 HydrophobicContact CD2-CB 4.5Å; Y289-H580 AromaticContact CD2-CD2 3.16Å; Y289-H580 WeakPolarHBondContact CD2-CD2 3.34Å; Y289-H580 AromaticContact CD2-CG 3.85Å; Y289-H580 AromaticContact CD2-NE2 3.48Å; Y289-H580 WeakPolarHBondContact CD2-NE2 3.43Å; Y289-H580 AromaticContact CE1-CE1 3.81Å; Y289-H580 AromaticContact CE1-NE2 3.74Å; Y289-H580 HydrophobicContact CE2-CB 3.8Å; Y289-H580 AromaticContact CE2-CD2 3.07Å; Y289-H580 WeakPolarHBondContact CE2-CD2 3.45Å; Y289-H580 AromaticContact CE2-CE1 3.8Å; Y289-H580 AromaticContact CE2-CG 3.24Å; Y289-H580 AromaticContact CE2-ND1 3.69Å; Y289-H580 AromaticContact CE2-NE2 3.43Å; Y289-H580 WeakPolarHBondContact CE2-NE2 3.38Å; Y289-H580 AromaticContact CG-CD2 3.84Å; Y289-H580 AromaticContact CG-NE2 3.68Å; Y289-H580 AromaticContact CZ-CD2 3.64Å; Y289-H580 AromaticContact CZ-CE1 3.5Å; Y289-H580 AromaticContact CZ-CG 3.66Å; Y289-H580 AromaticContact CZ-ND1 3.57Å; Y289-H580 AromaticContact CZ-NE2 3.53Å; Y289-H580 PolarHBondContact OH-ND1 3.47Å; N290-H580 PolarHBondContact N-NE2 3.38Å; N290-H580 PolarHBondContact O-CE1 2.67Å; N290-H580 VanDerWaalsContact O-CE1 3.23Å; N290-H580 PolarHBondContact O-NE2 2.91Å; T564-H580 PolarHBondContact OG1-CE1 2.98Å; H576-H580 AromaticContact CD2-ND1 3.68Å; H576-H580 AromaticContact CE1-ND1 3.7Å; H576-H580 AromaticContact NE2-CE1 3.91Å; H576-H580 AromaticContact NE2-CG 3.64Å; H576-H580 AromaticContact NE2-ND1 2.83Å; H576-H580 PolarHBondContact NE2-ND1 3.44Å; H576-H580 WeakPolarHBondContact O-CA 3.4Å; H576-H580 WeakPolarHBondContact O-CB 3.48Å; H576-H580 PolarHBondContact O-N 3.48Å; H580-L582 PolarHBondContact O-N 3.34Å; H580-L582 VanDerWaalsContact O-N 3.1Å; H580-Y583 WeakPolarHBondContact O-CB 3.31Å; H580-Y583 PolarHBondContact O-N 2.95Å; H580-Y583 VanDerWaalsContact O-N 3.1Å
581	N	98.9	Very high	98.2	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-68	-14.7	-176.6	-69.3	-36.3	0	0	0	113.5	L288 Y289 N290 A307 A327 A328 V579 F613	L288-N581 PolarHBondContact O-ND2 3.48Å; Y289-N581 VanDerWaalsContact CA-OD1 3.31Å; Y289-N581 WeakPolarHBondContact CA-OD1 3.27Å; N290-N581 PolarHBondContact N-OD1 3.19Å; N290-N581 PolarHBondContact ND2-O 2.89Å; N290-N581 PolarHBondContact OD1-OD1 2.97Å; A307-N581 HydrophobicContact CB-CB 4.28Å; A327-N581 VanDerWaalsContact O-CB 3.3Å; A327-N581 WeakPolarHBondContact O-CB 3.46Å; A327-N581 PolarHBondContact O-N 3.46Å; A327-N581 VanDerWaalsContact O-N 3.14Å; A327-N581 PolarHBondContact O-ND2 3.11Å; A328-N581 PolarHBondContact O-ND2 3.44Å; A328-N581 VanDerWaalsContact O-ND2 3.09Å; V579-N581 PolarHBondContact O-N 3.48Å; N581-F613 HydrophobicContact CB-CD2 3.66Å; N581-F613 HydrophobicContact CB-CE2 3.87Å; N581-F613 WeakPolarHBondContact O-CB 3.37Å
582	L	98.9	Very high	98.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-85.4	-19.4	175.6	-65	167.1	0	0	0	113.5	Y106 V108 V111 A327 V579 H580 G584 L585 Y586 F613	Y106-L582 HydrophobicContact CE1-CD1 3.88Å; Y106-L582 WeakPolarHBondContact OH-CD1 3.14Å; V108-L582 HydrophobicContact CG1-CD1 4.01Å; V108-L582 HydrophobicContact CG1-CD2 3.93Å; V108-L582 HydrophobicContact CG1-CG 4.5Å; V111-L582 HydrophobicContact CG2-CD2 3.62Å; A327-L582 HydrophobicContact CB-CD1 3.53Å; A327-L582 HydrophobicContact CB-CD2 4.35Å; A327-L582 HydrophobicContact CB-CG 3.54Å; V579-L582 WeakPolarHBondContact O-CA 3.37Å; V579-L582 WeakPolarHBondContact O-CB 3.23Å; V579-L582 PolarHBondContact O-N 3.25Å; H580-L582 PolarHBondContact O-N 3.34Å; H580-L582 VanDerWaalsContact O-N 3.1Å; L582-G584 VanDerWaalsContact C-N 3.33Å; L582-G584 PolarHBondContact O-N 2.7Å; L582-L585 PolarHBondContact O-N 2.85Å; L582-Y586 HydrophobicContact CB-CD2 3.97Å; L582-Y586 HydrophobicContact CB-CE2 3.75Å; L582-Y586 HydrophobicContact CD1-CE2 4.3Å; L582-Y586 VanDerWaalsContact O-CD2 3.25Å; L582-Y586 WeakPolarHBondContact O-CD2 3.45Å; L582-Y586 PolarHBondContact O-N 3.06Å; L582-F613 HydrophobicContact CD2-CD1 3.52Å; L582-F613 HydrophobicContact CD2-CE1 3.91Å; L582-F613 HydrophobicContact CD2-CG 4.07Å
583	Y	98.9	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.4	-49.2	-172.2	-174.8	-84.9	0	0	0	111.1	P478 V499 P519 F521 N553 P555 H571 V579 H580 L585 Y586 V587	P478-Y583 HydrophobicContact CB-CE1 4.04Å; P478-Y583 HydrophobicContact CG-CE1 3.95Å; P478-Y583 PolarHBondContact O-OH 2.88Å; V499-Y583 HydrophobicContact CG2-CE2 4.47Å; P519-Y583 WeakPolarHBondContact O-CE2 3.25Å; P519-Y583 PolarHBondContact O-OH 3.42Å; F521-Y583 HydrophobicContact CD2-CE1 4.34Å; F521-Y583 HydrophobicContact CD2-CE2 4.22Å; F521-Y583 AromaticContact CD2-CZ 3.84Å; N553-Y583 WeakPolarHBondContact O-CD1 3.37Å; P555-Y583 HydrophobicContact CB-CD1 4Å; P555-Y583 HydrophobicContact CB-CE1 3.65Å; P555-Y583 HydrophobicContact CG-CD1 4.1Å; P555-Y583 HydrophobicContact CG-CE1 4.06Å; P555-Y583 HydrophobicContact CG-CG 4.4Å; H571-Y583 AromaticContact CE1-CD2 3.89Å; V579-Y583 PolarHBondContact O-N 3Å; H580-Y583 WeakPolarHBondContact O-CB 3.31Å; H580-Y583 PolarHBondContact O-N 2.95Å; H580-Y583 VanDerWaalsContact O-N 3.1Å; Y583-L585 PolarHBondContact O-N 2.75Å; Y583-Y586 PolarHBondContact O-N 2.78Å; Y583-Y586 VanDerWaalsContact O-N 3.14Å; Y583-V587 HydrophobicContact CD1-CG2 4.04Å; Y583-V587 HydrophobicContact CE1-CG2 3.77Å; Y583-V587 WeakPolarHBondContact O-CG2 3.12Å; Y583-V587 PolarHBondContact O-N 3.07Å; Y583-V587 VanDerWaalsContact O-N 3.11Å
584	G	98.9	Very high	98.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.8	-41.7	178.1	0	0	0	0	0	114.1	N553 L582 Y586 V587 H588	N553-G584 WeakPolarHBondContact ND2-CA 3.39Å; N553-G584 PolarHBondContact ND2-O 3.27Å; N553-G584 VanDerWaalsContact ND2-O 3.16Å; N553-G584 WeakPolarHBondContact O-CA 3.32Å; N553-G584 PolarHBondContact O-N 2.87Å; L582-G584 VanDerWaalsContact C-N 3.33Å; L582-G584 PolarHBondContact O-N 2.7Å; G584-Y586 VanDerWaalsContact C-N 3.28Å; G584-Y586 PolarHBondContact O-N 3.33Å; G584-V587 PolarHBondContact O-N 3.01Å; G584-H588 PolarHBondContact O-N 3.43Å
585	L	98.9	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-58.7	-40.3	174.7	174.8	155.6	0	0	0	111.6	L582 Y583 H588 R589 F613 A614 Y619	L582-L585 PolarHBondContact O-N 2.85Å; Y583-L585 PolarHBondContact O-N 2.75Å; L585-H588 PolarHBondContact O-N 3Å; L585-R589 WeakPolarHBondContact O-CB 3.47Å; L585-R589 PolarHBondContact O-N 3.14Å; L585-F613 HydrophobicContact CB-CB 4.07Å; L585-F613 HydrophobicContact CD1-CB 3.91Å; L585-A614 VanDerWaalsContact CD1-O 3.26Å; L585-A614 WeakPolarHBondContact CD1-O 3.49Å; L585-Y619 HydrophobicContact CD2-CE2 4.29Å; L585-Y619 HydrophobicContact CG-CE2 4.34Å
586	Y	98.9	Very high	98.9	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.012	4%	0.038	C	C	.	.	H	α-helix	trans	-73.1	-33.3	-179.6	-75.3	-55.9	0	0	0	113.5	D110 F521 T522 L582 Y583 G584 A590	D110-Y586 HydrophobicContact CB-CE1 3.79Å; D110-Y586 VanDerWaalsContact OD2-CE1 3.31Å; D110-Y586 WeakPolarHBondContact OD2-CE1 3.4Å; D110-Y586 PolarHBondContact OD2-OH 3.06Å; F521-Y586 WeakPolarHBondContact O-CB 3.36Å; T522-Y586 HydrophobicContact CG2-CD2 4.49Å; L582-Y586 HydrophobicContact CB-CD2 3.97Å; L582-Y586 HydrophobicContact CB-CE2 3.75Å; L582-Y586 HydrophobicContact CD1-CE2 4.3Å; L582-Y586 VanDerWaalsContact O-CD2 3.25Å; L582-Y586 WeakPolarHBondContact O-CD2 3.45Å; L582-Y586 PolarHBondContact O-N 3.06Å; Y583-Y586 PolarHBondContact O-N 2.78Å; Y583-Y586 VanDerWaalsContact O-N 3.14Å; G584-Y586 VanDerWaalsContact C-N 3.28Å; G584-Y586 PolarHBondContact O-N 3.33Å; Y586-A590 WeakPolarHBondContact O-CB 3.41Å; Y586-A590 PolarHBondContact O-N 3.05Å
587	V	99	Very high	98.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62	-48.6	170.4	177.8	0	0	0	0	110	P478 F521 N550 N553 Y583 G584 R589 A590 T591	P478-V587 HydrophobicContact CB-CG1 4.11Å; P478-V587 HydrophobicContact CB-CG2 3.7Å; P478-V587 HydrophobicContact CG-CG1 4.28Å; P478-V587 HydrophobicContact CG-CG2 3.99Å; F521-V587 HydrophobicContact CB-CG2 4.26Å; F521-V587 HydrophobicContact CD1-CB 4.32Å; F521-V587 HydrophobicContact CD1-CG2 3.89Å; F521-V587 HydrophobicContact CD2-CG2 3.51Å; F521-V587 HydrophobicContact CE1-CB 4.29Å; F521-V587 HydrophobicContact CE1-CG1 4.38Å; F521-V587 HydrophobicContact CE1-CG2 4.03Å; F521-V587 HydrophobicContact CE2-CG2 3.67Å; F521-V587 HydrophobicContact CG-CG2 3.62Å; F521-V587 HydrophobicContact CZ-CB 4.45Å; F521-V587 HydrophobicContact CZ-CG1 4.27Å; F521-V587 HydrophobicContact CZ-CG2 3.92Å; N550-V587 HydrophobicContact CB-CG1 3.99Å; N550-V587 PolarHBondContact OD1-O 3.17Å; N553-V587 HydrophobicContact CB-CB 4.17Å; N553-V587 HydrophobicContact CB-CG1 4.12Å; N553-V587 HydrophobicContact CB-CG2 4.21Å; Y583-V587 HydrophobicContact CD1-CG2 4.04Å; Y583-V587 HydrophobicContact CE1-CG2 3.77Å; Y583-V587 WeakPolarHBondContact O-CG2 3.12Å; Y583-V587 PolarHBondContact O-N 3.07Å; Y583-V587 VanDerWaalsContact O-N 3.11Å; G584-V587 PolarHBondContact O-N 3.01Å; V587-R589 PolarHBondContact O-N 3.44Å; V587-A590 PolarHBondContact O-N 3Å; V587-T591 PolarHBondContact O-N 3.32Å; V587-T591 PolarHBondContact O-OG1 3.12Å
588	H	98.9	Very high	98.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60	-46.3	179.4	-170.1	-167.4	0	0	0	111.7	G584 L585 A592 V607 T609 Y619 G620	G584-H588 PolarHBondContact O-N 3.43Å; L585-H588 PolarHBondContact O-N 3Å; H588-A592 WeakPolarHBondContact O-CB 3.46Å; H588-A592 PolarHBondContact O-N 3.09Å; H588-V607 PolarHBondContact NE2-O 3.36Å; H588-T609 HydrophobicContact CB-CG2 4.19Å; H588-T609 VanDerWaalsContact CE1-CG2 3.48Å; H588-T609 WeakPolarHBondContact CE1-CG2 3.48Å; H588-T609 WeakPolarHBondContact ND1-CG2 3.44Å; H588-Y619 VanDerWaalsContact NE2-C 3.33Å; H588-Y619 PolarHBondContact NE2-O 3.39Å; H588-Y619 VanDerWaalsContact NE2-O 3.16Å; H588-G620 PolarHBondContact CE1-N 3.1Å
589	R	98.9	Very high	98.8	Very high	48 Å²	48	15.1 Å²	15.1	18%	0.181	7%	0.073	C	C	.	.	H	α-helix	trans	-57.4	-54.7	175.3	175.5	179.2	-179.1	175.3	1.2	112.1	D110 L585 V587 T591 A592 E593 Y619	D110-R589 VanDerWaalsContact CG-NH1 3.3Å; D110-R589 IonicContact OD1-CZ 3.26Å; D110-R589 IonicContact OD1-NH1 2.84Å; D110-R589 PolarHBondContact OD1-NH1 2.82Å; D110-R589 IonicContact OD2-NH1 3.7Å; L585-R589 WeakPolarHBondContact O-CB 3.47Å; L585-R589 PolarHBondContact O-N 3.14Å; V587-R589 PolarHBondContact O-N 3.44Å; R589-T591 VanDerWaalsContact C-N 3.27Å; R589-T591 PolarHBondContact O-N 3.27Å; R589-A592 PolarHBondContact O-N 2.96Å; R589-E593 HydrophobicContact CG-CG 4.34Å; R589-E593 WeakPolarHBondContact CG-OE1 3.19Å; R589-E593 IonicContact CZ-OE1 2.68Å; R589-E593 IonicContact NE-OE1 3.59Å; R589-E593 PolarHBondContact NE-OE1 2.97Å; R589-E593 IonicContact NE-OE2 3.52Å; R589-E593 IonicContact NH2-OE1 3.56Å; R589-E593 PolarHBondContact NH2-OE1 3.16Å; R589-E593 WeakPolarHBondContact O-CB 3.28Å; R589-E593 WeakPolarHBondContact O-CG 3.36Å; R589-E593 PolarHBondContact O-N 3.22Å; R589-Y619 HydrophobicContact CB-CD1 4.15Å; R589-Y619 HydrophobicContact CB-CD2 4.07Å; R589-Y619 HydrophobicContact CB-CE1 3.93Å; R589-Y619 HydrophobicContact CB-CE2 3.84Å; R589-Y619 HydrophobicContact CB-CG 4.22Å; R589-Y619 WeakPolarHBondContact CD-OH 3.31Å; R589-Y619 HydrophobicContact CG-CD1 4.22Å; R589-Y619 HydrophobicContact CG-CE1 3.64Å; R589-Y619 HydrophobicContact CG-CE2 4.27Å
590	A	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.5	-37.3	-174.9	0	0	0	0	0	111.8	F521 R527 W530 Y586 V587 G594	F521-A590 HydrophobicContact CD1-CB 4.09Å; F521-A590 HydrophobicContact CE1-CB 4.06Å; R527-A590 HydrophobicContact CB-CB 3.85Å; R527-A590 HydrophobicContact CG-CB 3.98Å; W530-A590 HydrophobicContact CB-CB 4.31Å; W530-A590 HydrophobicContact CG-CB 4.24Å; Y586-A590 WeakPolarHBondContact O-CB 3.41Å; Y586-A590 PolarHBondContact O-N 3.05Å; V587-A590 PolarHBondContact O-N 3Å; A590-G594 PolarHBondContact O-N 3.45Å
591	T	98.9	Very high	98.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.5	-46.2	175	-58.9	0	0	0	0	111.4	W530 F534 T548 N550 V587 R589 E593 G594 L595 V607	W530-T591 PolarHBondContact NE1-OG1 3.15Å; F534-T591 HydrophobicContact CE1-CG2 4.02Å; F534-T591 HydrophobicContact CE2-CG2 4.22Å; F534-T591 HydrophobicContact CZ-CG2 3.64Å; T548-T591 HydrophobicContact CG2-CG2 3.52Å; N550-T591 PolarHBondContact ND2-OG1 2.82Å; N550-T591 VanDerWaalsContact ND2-OG1 3.15Å; N550-T591 WeakPolarHBondContact OD1-CB 3.39Å; N550-T591 PolarHBondContact OD1-OG1 2.86Å; V587-T591 PolarHBondContact O-N 3.32Å; V587-T591 PolarHBondContact O-OG1 3.12Å; R589-T591 VanDerWaalsContact C-N 3.27Å; R589-T591 PolarHBondContact O-N 3.27Å; T591-E593 PolarHBondContact O-N 3.2Å; T591-G594 PolarHBondContact O-N 2.95Å; T591-L595 WeakPolarHBondContact O-CG 3.35Å; T591-L595 PolarHBondContact O-N 3.14Å; T591-V607 HydrophobicContact CG2-CB 4.45Å; T591-V607 HydrophobicContact CG2-CG1 3.73Å; T591-V607 HydrophobicContact CG2-CG2 3.78Å
592	A	98.9	Very high	98.7	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.033	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-44.6	178.2	0	0	0	0	0	111.6	H588 R589 G594 L595 V596 P605 V607 Y619	H588-A592 WeakPolarHBondContact O-CB 3.46Å; H588-A592 PolarHBondContact O-N 3.09Å; R589-A592 PolarHBondContact O-N 2.96Å; A592-G594 VanDerWaalsContact C-N 3.33Å; A592-G594 PolarHBondContact O-N 3.1Å; A592-L595 PolarHBondContact O-N 3.42Å; A592-V596 WeakPolarHBondContact O-CG2 3.23Å; A592-V596 PolarHBondContact O-N 3.06Å; A592-V596 VanDerWaalsContact O-N 3.12Å; A592-P605 HydrophobicContact CB-CB 4.14Å; A592-P605 HydrophobicContact CB-CG 4.16Å; A592-V607 HydrophobicContact CB-CG2 4.06Å; A592-Y619 HydrophobicContact CB-CD1 4.34Å
593	E	98.9	Very high	98.7	Very high	57 Å²	57	25.9 Å²	25.9	27%	0.266	16%	0.157	S	C	.	.	H	α-helix	trans	-57.7	-44.6	173.2	-72.5	171.1	170.5	0	0	110.8	A531 R589 T591 L595 V596 E597	A531-E593 HydrophobicContact CB-CB 4.39Å; R589-E593 HydrophobicContact CG-CG 4.34Å; R589-E593 WeakPolarHBondContact CG-OE1 3.19Å; R589-E593 IonicContact CZ-OE1 2.68Å; R589-E593 IonicContact NE-OE1 3.59Å; R589-E593 PolarHBondContact NE-OE1 2.97Å; R589-E593 IonicContact NE-OE2 3.52Å; R589-E593 IonicContact NH2-OE1 3.56Å; R589-E593 PolarHBondContact NH2-OE1 3.16Å; R589-E593 WeakPolarHBondContact O-CB 3.28Å; R589-E593 WeakPolarHBondContact O-CG 3.36Å; R589-E593 PolarHBondContact O-N 3.22Å; T591-E593 PolarHBondContact O-N 3.2Å; E593-L595 PolarHBondContact O-N 3.08Å; E593-V596 PolarHBondContact O-N 2.66Å; E593-V596 VanDerWaalsContact O-N 3.16Å; E593-E597 WeakPolarHBondContact O-CB 3.41Å; E593-E597 WeakPolarHBondContact O-CG 3.33Å; E593-E597 PolarHBondContact O-N 2.78Å
594	G	98.9	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-39.4	175.9	0	0	0	0	0	114.5	A531 A590 T591 A592 V596 E597 R598	A531-G594 VanDerWaalsContact O-CA 3.31Å; A531-G594 WeakPolarHBondContact O-CA 3.34Å; A590-G594 PolarHBondContact O-N 3.45Å; T591-G594 PolarHBondContact O-N 2.95Å; A592-G594 VanDerWaalsContact C-N 3.33Å; A592-G594 PolarHBondContact O-N 3.1Å; G594-V596 VanDerWaalsContact C-N 3.32Å; G594-V596 PolarHBondContact O-N 3.3Å; G594-E597 PolarHBondContact O-N 2.89Å; G594-R598 PolarHBondContact O-N 2.79Å
595	L	98.9	Very high	98.7	Very high	2 Å²	2	27 Å²	27	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-68.9	-30.8	176.1	-61.2	-169.2	0	0	0	112.8	F534 Y547 T591 A592 E593 R598 P605 F606 V607	F534-L595 HydrophobicContact CB-CD2 4.49Å; F534-L595 HydrophobicContact CD1-CD2 3.75Å; F534-L595 HydrophobicContact CE1-CD2 4.37Å; F534-L595 HydrophobicContact CG-CD2 4.29Å; Y547-L595 HydrophobicContact CD1-CD1 4.2Å; T591-L595 WeakPolarHBondContact O-CG 3.35Å; T591-L595 PolarHBondContact O-N 3.14Å; A592-L595 PolarHBondContact O-N 3.42Å; E593-L595 PolarHBondContact O-N 3.08Å; L595-R598 VanDerWaalsContact CD2-CZ 3.48Å; L595-R598 VanDerWaalsContact O-CG 3.27Å; L595-R598 WeakPolarHBondContact O-CG 3.46Å; L595-R598 PolarHBondContact O-NE 3.27Å; L595-P605 HydrophobicContact CB-CB 4.01Å; L595-P605 HydrophobicContact CD1-CB 4.36Å; L595-F606 WeakPolarHBondContact CD1-O 3.48Å; L595-V607 HydrophobicContact CD1-CG2 3.58Å; L595-V607 HydrophobicContact CG-CG2 4.31Å
596	V	98.9	Very high	98.7	Very high	35 Å²	35	27.1 Å²	27.1	21%	0.212	17%	0.165	C	C	.	.	H	α-helix	trans	-72.4	-48.4	172.9	174.5	0	0	0	0	110.1	A592 E593 G594 R598 S599 G601 P605 F860	A592-V596 WeakPolarHBondContact O-CG2 3.23Å; A592-V596 PolarHBondContact O-N 3.06Å; A592-V596 VanDerWaalsContact O-N 3.12Å; E593-V596 PolarHBondContact O-N 2.66Å; E593-V596 VanDerWaalsContact O-N 3.16Å; G594-V596 VanDerWaalsContact C-N 3.32Å; G594-V596 PolarHBondContact O-N 3.3Å; V596-R598 PolarHBondContact O-N 2.81Å; V596-S599 PolarHBondContact O-N 3.1Å; V596-S599 VanDerWaalsContact O-N 3.14Å; V596-S599 PolarHBondContact O-OG 3.21Å; V596-G601 PolarHBondContact O-N 2.77Å; V596-P605 HydrophobicContact CG2-CB 4.15Å; V596-P605 HydrophobicContact CG2-CG 3.87Å; V596-F860 HydrophobicContact CG1-CE2 4.19Å; V596-F860 HydrophobicContact CG2-CE2 3.98Å; V596-F860 HydrophobicContact CG2-CZ 4.26Å
597	E	98.7	Very high	98.7	Very high	106 Å²	106	27 Å²	27	50%	0.495	16%	0.164	S	C	.	.	H	α-helix	trans	-60.1	-44	-177.6	-76.7	-179.6	-169.7	0	0	112.8	E593 G594 S599 G600	E593-E597 WeakPolarHBondContact O-CB 3.41Å; E593-E597 WeakPolarHBondContact O-CG 3.33Å; E593-E597 PolarHBondContact O-N 2.78Å; G594-E597 PolarHBondContact O-N 2.89Å; E597-S599 PolarHBondContact O-N 3.26Å; E597-G600 PolarHBondContact O-N 3.43Å
598	R	98.4	Very high	98.6	Very high	32 Å²	32	27 Å²	27	12%	0.121	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.9	179	71.1	179.4	-174.8	169.6	4.8	113.8	F534 Y536 L546 G594 L595 V596	F534-R598 WeakPolarHBondContact O-CD 3.21Å; Y536-R598 HydrophobicContact CE2-CB 4.45Å; Y536-R598 WeakPolarHBondContact CE2-O 3.41Å; L546-R598 PolarHBondContact O-NH1 3.21Å; L546-R598 PolarHBondContact O-NH2 2.82Å; G594-R598 PolarHBondContact O-N 2.79Å; L595-R598 VanDerWaalsContact CD2-CZ 3.48Å; L595-R598 VanDerWaalsContact O-CG 3.27Å; L595-R598 WeakPolarHBondContact O-CG 3.46Å; L595-R598 PolarHBondContact O-NE 3.27Å; V596-R598 PolarHBondContact O-N 2.81Å
599	S	98.1	Very high	98.6	Very high	28 Å²	28	27 Å²	27	20%	0.196	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.8	176.7	77.3	0	0	0	0	113.6	V596 E597 G601 V602 E603	V596-S599 PolarHBondContact O-N 3.1Å; V596-S599 VanDerWaalsContact O-N 3.14Å; V596-S599 PolarHBondContact O-OG 3.21Å; E597-S599 PolarHBondContact O-N 3.26Å; S599-G601 VanDerWaalsContact C-N 3.33Å; S599-G601 PolarHBondContact OG-N 3.18Å; S599-V602 PolarHBondContact OG-N 3.13Å; S599-V602 VanDerWaalsContact OG-N 3.12Å; S599-E603 PolarHBondContact OG-N 2.89Å
600	G	97.9	Very high	98.6	Very high	69 Å²	69	24.7 Å²	24.7	71%	0.711	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	24.6	-171	0	0	0	0	0	113.6	E597	E597-G600 PolarHBondContact O-N 3.43Å
601	G	97.8	Very high	98.6	Very high	41 Å²	41	24.7 Å²	24.7	42%	0.423	16%	0.156	S	C	.	.	S	Bend	trans	80.4	21.3	-179.9	0	0	0	0	0	114.8	V596 S599	V596-G601 PolarHBondContact O-N 2.77Å; S599-G601 VanDerWaalsContact C-N 3.33Å; S599-G601 PolarHBondContact OG-N 3.18Å
602	V	97.9	Very high	98.6	Very high	62 Å²	62	24.7 Å²	24.7	38%	0.376	16%	0.156	S	C	.	.			trans	-98.6	-47.7	-177	179.3	0	0	0	0	111.7	S599 T859 F860	S599-V602 PolarHBondContact OG-N 3.13Å; S599-V602 VanDerWaalsContact OG-N 3.12Å; V602-T859 HydrophobicContact CG1-CG2 3.96Å; V602-T859 CarbonylContact O-C 3.51Å; V602-T859 WeakPolarHBondContact O-CA 3.4Å; V602-T859 VanDerWaalsContact O-CB 3.27Å; V602-T859 WeakPolarHBondContact O-CB 3.19Å; V602-F860 PolarHBondContact O-N 2.83Å
603	E	98.6	Very high	98.6	Very high	56 Å²	56	24.6 Å²	24.6	26%	0.262	15%	0.154	S	C	.	.	B	Isolated β-bridge	trans	-87.3	137.3	-172	-64.9	-64.2	154.7	0	0	111.9	S599 H858 F860	S599-E603 PolarHBondContact OG-N 2.89Å; E603-H858 VanDerWaalsContact CD-ND1 3.26Å; E603-H858 IonicContact OE1-CE1 3.24Å; E603-H858 PolarHBondContact OE1-CE1 3.29Å; E603-H858 VanDerWaalsContact OE1-CE1 3.28Å; E603-H858 IonicContact OE1-ND1 2.75Å; E603-H858 PolarHBondContact OE1-ND1 3.07Å; E603-H858 IonicContact OE2-CE1 3.73Å; E603-H858 IonicContact OE2-CG 3.3Å; E603-H858 IonicContact OE2-ND1 2.88Å; E603-H858 PolarHBondContact OE2-ND1 2.73Å; E603-F860 WeakPolarHBondContact O-CE2 3.16Å
604	R	98.8	Very high	98.6	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.008	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-72.5	140.4	172.4	-61.1	-170.1	-56.6	-125.7	13.8	110	F397 P398 P399 Y720 D855 G857 H858 T859 F860	F397-R604 VanDerWaalsContact O-CD 3.26Å; F397-R604 WeakPolarHBondContact O-CD 3.37Å; F397-R604 PolarHBondContact O-NE 3.45Å; P398-R604 PolarHBondContact O-NH2 2.68Å; P399-R604 HydrophobicContact CG-CB 4.07Å; R604-Y720 PolarHBondContact NH2-OH 2.75Å; R604-D855 IonicContact CZ-OD2 2.76Å; R604-D855 IonicContact NH1-OD2 3.07Å; R604-D855 PolarHBondContact NH1-OD2 2.86Å; R604-G857 PolarHBondContact NH2-O 2.77Å; R604-H858 WeakPolarHBondContact CB-O 3.49Å; R604-H858 VanDerWaalsContact CG-O 3.32Å; R604-H858 WeakPolarHBondContact CG-O 3.38Å; R604-H858 PolarHBondContact N-O 3.11Å; R604-T859 WeakPolarHBondContact CD-O 3.29Å; R604-T859 PolarHBondContact NH1-O 3.13Å; R604-F860 HydrophobicContact CB-CE2 4.36Å; R604-F860 HydrophobicContact CB-CZ 4.27Å; R604-F860 HydrophobicContact CG-CD1 3.98Å; R604-F860 HydrophobicContact CG-CD2 4.04Å; R604-F860 HydrophobicContact CG-CE1 3.87Å; R604-F860 HydrophobicContact CG-CE2 3.95Å; R604-F860 HydrophobicContact CG-CG 4.05Å; R604-F860 HydrophobicContact CG-CZ 3.86Å
605	P	98.7	Very high	98.6	Very high	23 Å²	23	21.9 Å²	21.9	15%	0.149	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-75.3	152.8	179.1	33	-33.1	0	0	0	110.5	P399 A592 L595 V596	P399-P605 WeakPolarHBondContact CD-O 3.42Å; A592-P605 HydrophobicContact CB-CB 4.14Å; A592-P605 HydrophobicContact CB-CG 4.16Å; L595-P605 HydrophobicContact CB-CB 4.01Å; L595-P605 HydrophobicContact CD1-CB 4.36Å; V596-P605 HydrophobicContact CG2-CB 4.15Å; V596-P605 HydrophobicContact CG2-CG 3.87Å
606	F	98.9	Very high	98.6	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	14%	0.141	C	C	.	.			trans	-126.7	114.2	156.8	170.5	-101.9	0	0	0	107.7	P399 H406 F434 W436 V473 Y547 L595 L608 A621 F651 F680	P399-F606 HydrophobicContact CG-CB 4.32Å; H406-F606 AromaticContact CE1-CE1 3.95Å; H406-F606 AromaticContact CE1-CZ 3.7Å; F434-F606 HydrophobicContact CE1-CD1 4.16Å; F434-F606 HydrophobicContact CZ-CD1 4.31Å; W436-F606 AromaticContact CH2-CE1 3.94Å; W436-F606 HydrophobicContact CH2-CE1 3.94Å; W436-F606 HydrophobicContact CH2-CZ 4.06Å; W436-F606 AromaticContact CZ2-CE1 3.75Å; W436-F606 HydrophobicContact CZ2-CE1 3.75Å; W436-F606 AromaticContact CZ2-CZ 3.91Å; W436-F606 HydrophobicContact CZ2-CZ 3.91Å; V473-F606 HydrophobicContact CG2-CD1 3.99Å; V473-F606 HydrophobicContact CG2-CE1 3.72Å; Y547-F606 HydrophobicContact CD1-CB 3.52Å; Y547-F606 HydrophobicContact CE1-CB 3.91Å; Y547-F606 HydrophobicContact CG-CB 4.2Å; Y547-F606 HydrophobicContact CG-CD1 4.42Å; L595-F606 WeakPolarHBondContact CD1-O 3.48Å; F606-L608 HydrophobicContact CZ-CB 4.46Å; F606-A621 HydrophobicContact CE2-CB 4.07Å; F606-F651 HydrophobicContact CD2-CE2 4.01Å; F606-F651 HydrophobicContact CD2-CZ 4.32Å; F606-F651 AromaticContact CE2-CE2 3.87Å; F606-F651 HydrophobicContact CE2-CE2 3.87Å; F606-F651 AromaticContact CE2-CZ 3.85Å; F606-F651 HydrophobicContact CE2-CZ 3.85Å; F606-F680 HydrophobicContact CE2-CE2 4.25Å; F606-F680 HydrophobicContact CZ-CD2 4.5Å; F606-F680 AromaticContact CZ-CE2 3.76Å; F606-F680 HydrophobicContact CZ-CE2 3.76Å; F606-F680 HydrophobicContact CZ-CZ 4.45Å
607	V	98.9	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123	176.1	-170.8	0	0	0	0	108.5	T548 N550 H588 T591 A592 L595 G620 A621	T548-V607 WeakPolarHBondContact O-CA 3.48Å; N550-V607 WeakPolarHBondContact OD1-CG1 3.46Å; H588-V607 PolarHBondContact NE2-O 3.36Å; T591-V607 HydrophobicContact CG2-CB 4.45Å; T591-V607 HydrophobicContact CG2-CG1 3.73Å; T591-V607 HydrophobicContact CG2-CG2 3.78Å; A592-V607 HydrophobicContact CB-CG2 4.06Å; L595-V607 HydrophobicContact CD1-CG2 3.58Å; L595-V607 HydrophobicContact CG-CG2 4.31Å; V607-G620 WeakPolarHBondContact O-CA 3.18Å; V607-A621 PolarHBondContact O-N 2.88Å
608	L	98.9	Very high	98.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.4	168.2	-178.2	70.9	0	0	0	109	W436 T548 W549 N550 F606 A621 W623 F680	W436-L608 HydrophobicContact CH2-CB 3.72Å; W436-L608 HydrophobicContact CH2-CD2 3.44Å; W436-L608 VanDerWaalsContact CH2-CD2 3.44Å; W436-L608 HydrophobicContact CH2-CG 4.16Å; W436-L608 HydrophobicContact CZ3-CB 4.15Å; W436-L608 HydrophobicContact CZ3-CD2 3.53Å; W436-L608 HydrophobicContact CZ3-CG 4.47Å; T548-L608 PolarHBondContact O-N 3.22Å; W549-L608 HydrophobicContact CG-CD2 4.45Å; N550-L608 PolarHBondContact N-O 2.91Å; F606-L608 HydrophobicContact CZ-CB 4.46Å; L608-A621 WeakPolarHBondContact CA-O 3.47Å; L608-A621 HydrophobicContact CD1-CB 3.74Å; L608-W623 HydrophobicContact CD1-CB 4.27Å; L608-W623 HydrophobicContact CD1-CD2 4.45Å; L608-W623 HydrophobicContact CD1-CE3 3.69Å; L608-W623 HydrophobicContact CD1-CZ3 4.45Å; L608-W623 HydrophobicContact CD2-CD2 3.92Å; L608-W623 HydrophobicContact CD2-CE3 3.38Å; L608-W623 HydrophobicContact CD2-CG 4.49Å; L608-W623 HydrophobicContact CD2-CZ3 3.74Å; L608-W623 HydrophobicContact CG-CD2 4.29Å; L608-W623 HydrophobicContact CG-CE3 3.34Å; L608-W623 HydrophobicContact CG-CZ3 3.67Å; L608-F680 HydrophobicContact CD1-CD1 4.02Å; L608-F680 HydrophobicContact CD1-CE1 3.6Å; L608-F680 HydrophobicContact CD1-CE2 4.48Å; L608-F680 HydrophobicContact CD1-CZ 3.86Å; L608-F680 HydrophobicContact CD2-CE1 3.82Å; L608-F680 HydrophobicContact CD2-CZ 3.83Å; L608-F680 HydrophobicContact CG-CE1 4.36Å; L608-F680 HydrophobicContact CG-CZ 4.37Å
609	T	98.9	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.6	176.6	-161.1	0	0	0	0	112.6	N550 N553 H588 A611 F612 A621 V622 W623	N550-T609 WeakPolarHBondContact O-CA 3.3Å; N553-T609 PolarHBondContact ND2-OG1 2.98Å; H588-T609 HydrophobicContact CB-CG2 4.19Å; H588-T609 VanDerWaalsContact CE1-CG2 3.48Å; H588-T609 WeakPolarHBondContact CE1-CG2 3.48Å; H588-T609 WeakPolarHBondContact ND1-CG2 3.44Å; T609-A611 PolarHBondContact OG1-O 3.09Å; T609-F612 HydrophobicContact CG2-CB 4.37Å; T609-A621 PolarHBondContact N-O 2.95Å; T609-V622 HydrophobicContact CG2-CG1 3.85Å; T609-V622 WeakPolarHBondContact O-CA 3.21Å; T609-W623 VanDerWaalsContact O-CE3 3.3Å; T609-W623 WeakPolarHBondContact O-CZ3 3.16Å
610	R	98.8	Very high	98.7	Very high	1 Å²	1	16 Å²	16	0%	0.004	11%	0.109	C	C	.	.	S	Bend	trans	-86	-56.7	175.6	-155.6	169.9	57.4	-174.2	10	111.1	D292 Y305 N550 D551 M552 N553 E554 F612 W623	D292-R610 IonicContact OD1-NH2 3.83Å; D292-R610 IonicContact OD2-CZ 3.45Å; D292-R610 IonicContact OD2-NH1 3.56Å; D292-R610 IonicContact OD2-NH2 2.96Å; D292-R610 PolarHBondContact OD2-NH2 3.37Å; Y305-R610 HydrophobicContact CD1-CG 3.83Å; Y305-R610 HydrophobicContact CD2-CG 4.48Å; Y305-R610 HydrophobicContact CG-CG 3.77Å; N550-R610 PolarHBondContact O-N 3.15Å; D551-R610 WeakPolarHBondContact OD1-CD 3.22Å; D551-R610 IonicContact OD1-CZ 3.68Å; D551-R610 IonicContact OD1-NE 2.68Å; D551-R610 PolarHBondContact OD1-NE 2.87Å; D551-R610 IonicContact OD1-NH1 3.8Å; D551-R610 PolarHBondContact OD1-NH1 3.34Å; D551-R610 IonicContact OD1-NH2 3.25Å; D551-R610 IonicContact OD2-NH1 3.96Å; M552-R610 VanDerWaalsContact SD-CZ 3.56Å; M552-R610 PolarHBondContact SD-NH1 2.78Å; M552-R610 PolarHBondContact SD-NH2 2.99Å; N553-R610 PolarHBondContact OD1-N 3.23Å; E554-R610 IonicContact OE1-CZ 3.35Å; E554-R610 IonicContact OE1-NE 3.56Å; E554-R610 PolarHBondContact OE1-NE 2.86Å; E554-R610 IonicContact OE1-NH2 3.63Å; E554-R610 PolarHBondContact OE1-NH2 3.34Å; E554-R610 IonicContact OE2-CZ 3.76Å; E554-R610 IonicContact OE2-NE 2.75Å; E554-R610 IonicContact OE2-NH2 3.88Å; E554-R610 PolarHBondContact OE2-NH2 3.24Å; R610-F612 WeakPolarHBondContact O-CD1 3.34Å; R610-F612 VanDerWaalsContact O-CE1 3.27Å; R610-F612 WeakPolarHBondContact O-CE1 3.33Å; R610-W623 VanDerWaalsContact CA-CZ3 3.5Å; R610-W623 HydrophobicContact CB-CE3 4.49Å; R610-W623 HydrophobicContact CB-CH2 3.37Å; R610-W623 HydrophobicContact CB-CZ2 4.02Å; R610-W623 HydrophobicContact CB-CZ3 3.69Å; R610-W623 HydrophobicContact CG-CH2 3.65Å; R610-W623 HydrophobicContact CG-CZ2 3.75Å; R610-W623 HydrophobicContact CG-CZ3 4.19Å
611	A	98.9	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-88.3	136.1	177.8	0	0	0	0	0	111.9	N290 Y305 N553 E554 T609	N290-A611 HydrophobicContact CB-CB 4.42Å; Y305-A611 VanDerWaalsContact O-CA 3.24Å; Y305-A611 WeakPolarHBondContact O-CA 3.3Å; Y305-A611 VanDerWaalsContact O-CB 3.28Å; Y305-A611 WeakPolarHBondContact O-CB 3.24Å; N553-A611 PolarHBondContact ND2-O 3.03Å; N553-A611 VanDerWaalsContact ND2-O 3.1Å; N553-A611 WeakPolarHBondContact O-CB 3.38Å; N553-A611 PolarHBondContact OD1-N 3.16Å; E554-A611 HydrophobicContact CB-CB 4.41Å; E554-A611 HydrophobicContact CG-CB 4.01Å; T609-A611 PolarHBondContact OG1-O 3.09Å
612	F	98.9	Very high	98.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.055	C	C	.	.			trans	-146.5	165.3	-175.5	49.6	-97	0	0	0	112.1	E270 N290 A307 V308 T609 R610 S616 V622 L644 I649	E270-F612 HydrophobicContact CB-CE2 4.43Å; E270-F612 HydrophobicContact CB-CZ 3.93Å; E270-F612 HydrophobicContact CG-CZ 4.32Å; N290-F612 PolarHBondContact ND2-O 2.93Å; A307-F612 PolarHBondContact N-O 3.21Å; V308-F612 HydrophobicContact CG2-CD2 3.93Å; V308-F612 HydrophobicContact CG2-CE2 4.15Å; T609-F612 HydrophobicContact CG2-CB 4.37Å; R610-F612 WeakPolarHBondContact O-CD1 3.34Å; R610-F612 VanDerWaalsContact O-CE1 3.27Å; R610-F612 WeakPolarHBondContact O-CE1 3.33Å; F612-S616 WeakPolarHBondContact CA-OG 3.38Å; F612-S616 WeakPolarHBondContact CB-OG 3.26Å; F612-V622 HydrophobicContact CB-CG1 4.1Å; F612-V622 HydrophobicContact CD1-CB 3.84Å; F612-V622 HydrophobicContact CD1-CG1 3.53Å; F612-V622 HydrophobicContact CD1-CG2 4.48Å; F612-V622 HydrophobicContact CE1-CB 4.01Å; F612-V622 HydrophobicContact CE1-CG1 4.17Å; F612-V622 HydrophobicContact CE1-CG2 4.32Å; F612-V622 HydrophobicContact CG-CG1 3.93Å; F612-L644 HydrophobicContact CD2-CD2 4.31Å; F612-L644 HydrophobicContact CE2-CD2 3.43Å; F612-L644 VanDerWaalsContact CE2-CD2 3.43Å; F612-L644 HydrophobicContact CZ-CD1 4.3Å; F612-L644 HydrophobicContact CZ-CD2 3.59Å; F612-I649 HydrophobicContact CB-CD1 4.46Å; F612-I649 HydrophobicContact CD2-CD1 3.7Å; F612-I649 HydrophobicContact CE2-CD1 4.23Å; F612-I649 HydrophobicContact CG-CD1 4.19Å
613	F	98.9	Very high	98.9	Very high	1 Å²	1	7.9 Å²	7.9	0%	0.004	4%	0.038	C	C	.	.	B	Isolated β-bridge	trans	-139	178	173.7	-164.1	-108.6	0	0	0	110.8	V108 V111 A307 P309 L325 N326 N581 L582 L585 G615 S616	V108-F613 HydrophobicContact CG1-CE1 4.44Å; V111-F613 HydrophobicContact CG1-CE1 4.49Å; V111-F613 HydrophobicContact CG2-CD1 3.7Å; V111-F613 HydrophobicContact CG2-CE1 3.84Å; A307-F613 HydrophobicContact CB-CD2 4.46Å; A307-F613 WeakPolarHBondContact O-CA 3.39Å; A307-F613 WeakPolarHBondContact O-CD2 3.42Å; A307-F613 WeakPolarHBondContact O-CE2 3.27Å; P309-F613 HydrophobicContact CG-CE2 3.84Å; P309-F613 HydrophobicContact CG-CZ 3.64Å; L325-F613 HydrophobicContact CD1-CE1 4.47Å; N326-F613 WeakPolarHBondContact O-CZ 3.33Å; N581-F613 HydrophobicContact CB-CD2 3.66Å; N581-F613 HydrophobicContact CB-CE2 3.87Å; N581-F613 WeakPolarHBondContact O-CB 3.37Å; L582-F613 HydrophobicContact CD2-CD1 3.52Å; L582-F613 HydrophobicContact CD2-CE1 3.91Å; L582-F613 HydrophobicContact CD2-CG 4.07Å; L585-F613 HydrophobicContact CB-CB 4.07Å; L585-F613 HydrophobicContact CD1-CB 3.91Å; F613-G615 PolarHBondContact O-N 3.19Å; F613-S616 PolarHBondContact N-OG 3.47Å; F613-S616 WeakPolarHBondContact O-CB 3.26Å; F613-S616 PolarHBondContact O-N 2.97Å; F613-S616 PolarHBondContact O-OG 2.95Å
614	A	98.9	Very high	98.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	122.7	166.1	0	0	0	0	0	110.6	V111 V308 F323 Y388 L585	V111-A614 HydrophobicContact CG1-CB 3.92Å; V111-A614 WeakPolarHBondContact CG1-O 3.38Å; V308-A614 HydrophobicContact CG1-CB 4.23Å; F323-A614 HydrophobicContact CE2-CB 3.7Å; F323-A614 HydrophobicContact CZ-CB 3.83Å; Y388-A614 VanDerWaalsContact OH-CB 3.28Å; Y388-A614 WeakPolarHBondContact OH-CB 3.35Å; L585-A614 VanDerWaalsContact CD1-O 3.26Å; L585-A614 WeakPolarHBondContact CD1-O 3.49Å
615	G	98.8	Very high	98.8	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	-12.6	-176.1	0	0	0	0	0	115	F613 Q617 R618	F613-G615 PolarHBondContact O-N 3.19Å; G615-Q617 PolarHBondContact O-N 3.14Å; G615-R618 VanDerWaalsContact CA-NH1 3.33Å; G615-R618 WeakPolarHBondContact O-CB 3.48Å; G615-R618 WeakPolarHBondContact O-CG 3.33Å; G615-R618 PolarHBondContact O-N 2.97Å; G615-R618 VanDerWaalsContact O-N 3.16Å
616	S	98.9	Very high	98.7	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-62.3	-21.9	178	-74	0	0	0	0	113.9	F612 F613 R618 Y619	F612-S616 WeakPolarHBondContact CA-OG 3.38Å; F612-S616 WeakPolarHBondContact CB-OG 3.26Å; F613-S616 PolarHBondContact N-OG 3.47Å; F613-S616 WeakPolarHBondContact O-CB 3.26Å; F613-S616 PolarHBondContact O-N 2.97Å; F613-S616 PolarHBondContact O-OG 2.95Å; S616-R618 PolarHBondContact O-N 2.97Å; S616-Y619 PolarHBondContact O-N 2.88Å; S616-Y619 VanDerWaalsContact O-N 3.08Å
617	Q	98.9	Very high	98.6	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-56.6	-22.4	174.4	72.4	-83.4	15.4	0	0	113.1	T392 G393 T394 Q395 A396 G615 Y619 G648 I649	T392-Q617 PolarHBondContact O-NE2 2.87Å; T392-Q617 PolarHBondContact OG1-NE2 2.89Å; G393-Q617 PolarHBondContact O-NE2 3.38Å; T394-Q617 WeakPolarHBondContact O-CG 3.14Å; Q395-Q617 CarbonylContact C-O 3.6Å; Q395-Q617 WeakPolarHBondContact CA-O 3.18Å; Q395-Q617 PolarHBondContact NE2-O 2.76Å; Q395-Q617 VanDerWaalsContact NE2-O 3.13Å; A396-Q617 PolarHBondContact N-O 3.4Å; G615-Q617 PolarHBondContact O-N 3.14Å; Q617-Y619 VanDerWaalsContact C-N 3.25Å; Q617-Y619 PolarHBondContact O-N 3.45Å; Q617-G648 WeakPolarHBondContact CB-O 3.21Å; Q617-I649 HydrophobicContact CB-CG1 4.23Å
618	R	98.9	Very high	98.6	Very high	47 Å²	47	5.1 Å²	5.1	18%	0.177	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-74.9	-8.3	179.9	-58.5	-170.2	-55.2	-104.7	10.8	114.4	D110 V111 T392 A396 G615 S616	D110-R618 PolarHBondContact O-NH2 3.12Å; V111-R618 PolarHBondContact O-NH1 3.43Å; T392-R618 WeakPolarHBondContact O-CD 3.49Å; T392-R618 PolarHBondContact O-NH1 3.1Å; A396-R618 WeakPolarHBondContact CB-O 3.41Å; G615-R618 VanDerWaalsContact CA-NH1 3.33Å; G615-R618 WeakPolarHBondContact O-CB 3.48Å; G615-R618 WeakPolarHBondContact O-CG 3.33Å; G615-R618 PolarHBondContact O-N 2.97Å; G615-R618 VanDerWaalsContact O-N 3.16Å; S616-R618 PolarHBondContact O-N 2.97Å
619	Y	98.9	Very high	98.5	Very high	24 Å²	24	5.5 Å²	5.5	9%	0.094	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-7.8	-169	-51.4	-61.7	0	0	0	114.6	L585 H588 R589 A592 S616 Q617	L585-Y619 HydrophobicContact CD2-CE2 4.29Å; L585-Y619 HydrophobicContact CG-CE2 4.34Å; H588-Y619 VanDerWaalsContact NE2-C 3.33Å; H588-Y619 PolarHBondContact NE2-O 3.39Å; H588-Y619 VanDerWaalsContact NE2-O 3.16Å; R589-Y619 HydrophobicContact CB-CD1 4.15Å; R589-Y619 HydrophobicContact CB-CD2 4.07Å; R589-Y619 HydrophobicContact CB-CE1 3.93Å; R589-Y619 HydrophobicContact CB-CE2 3.84Å; R589-Y619 HydrophobicContact CB-CG 4.22Å; R589-Y619 WeakPolarHBondContact CD-OH 3.31Å; R589-Y619 HydrophobicContact CG-CD1 4.22Å; R589-Y619 HydrophobicContact CG-CE1 3.64Å; R589-Y619 HydrophobicContact CG-CE2 4.27Å; A592-Y619 HydrophobicContact CB-CD1 4.34Å; S616-Y619 PolarHBondContact O-N 2.88Å; S616-Y619 VanDerWaalsContact O-N 3.08Å; Q617-Y619 VanDerWaalsContact C-N 3.25Å; Q617-Y619 PolarHBondContact O-N 3.45Å
620	G	98.7	Very high	98.5	Very high	7 Å²	7	9.3 Å²	9.3	7%	0.072	5%	0.046	C	C	.	.			trans	151.4	-135.7	172.9	0	0	0	0	0	114.3	Q395 H588 V607	Q395-G620 PolarHBondContact NE2-O 2.99Å; H588-G620 PolarHBondContact CE1-N 3.1Å; V607-G620 WeakPolarHBondContact O-CA 3.18Å
621	A	98.9	Very high	98.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	158.1	-175.7	0	0	0	0	0	112.1	F606 V607 L608 T609 F651 F680	F606-A621 HydrophobicContact CE2-CB 4.07Å; V607-A621 PolarHBondContact O-N 2.88Å; L608-A621 WeakPolarHBondContact CA-O 3.47Å; L608-A621 HydrophobicContact CD1-CB 3.74Å; T609-A621 PolarHBondContact N-O 2.95Å; A621-F651 VanDerWaalsContact CA-O 3.31Å; A621-F651 WeakPolarHBondContact CA-O 3.32Å; A621-F651 HydrophobicContact CB-CB 4.24Å; A621-F651 HydrophobicContact CB-CD1 4.02Å; A621-F651 HydrophobicContact CB-CD2 3.55Å; A621-F651 HydrophobicContact CB-CE1 4.25Å; A621-F651 HydrophobicContact CB-CE2 3.79Å; A621-F651 HydrophobicContact CB-CG 3.65Å; A621-F651 HydrophobicContact CB-CZ 4.12Å; A621-F680 HydrophobicContact CB-CD2 4.4Å
622	V	98.9	Very high	98.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.9	167.2	-53.4	0	0	0	0	110	T609 F612 L644 I649 F651 C652 G653	T609-V622 HydrophobicContact CG2-CG1 3.85Å; T609-V622 WeakPolarHBondContact O-CA 3.21Å; F612-V622 HydrophobicContact CB-CG1 4.1Å; F612-V622 HydrophobicContact CD1-CB 3.84Å; F612-V622 HydrophobicContact CD1-CG1 3.53Å; F612-V622 HydrophobicContact CD1-CG2 4.48Å; F612-V622 HydrophobicContact CE1-CB 4.01Å; F612-V622 HydrophobicContact CE1-CG1 4.17Å; F612-V622 HydrophobicContact CE1-CG2 4.32Å; F612-V622 HydrophobicContact CG-CG1 3.93Å; V622-L644 HydrophobicContact CG2-CD1 4.11Å; V622-I649 HydrophobicContact CB-CG2 4.36Å; V622-I649 HydrophobicContact CG1-CG2 3.91Å; V622-I649 HydrophobicContact CG2-CG2 3.49Å; V622-I649 VanDerWaalsContact CG2-CG2 3.49Å; V622-F651 PolarHBondContact N-O 3.37Å; V622-C652 HydrophobicContact CG2-CB 3.97Å; V622-C652 WeakPolarHBondContact O-CA 3.06Å; V622-G653 PolarHBondContact O-N 3.32Å
623	W	98.9	Very high	98.5	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	162.1	166.3	85.4	105.2	0	0	0	110.8	W549 D551 L608 T609 R610 G625 G653 F680	W549-W623 AromaticContact CD1-CH2 3.92Å; W549-W623 AromaticContact CD1-CZ3 3.78Å; W549-W623 AromaticContact CE2-CH2 3.69Å; W549-W623 AromaticContact CZ2-CH2 3.91Å; W549-W623 HydrophobicContact CZ2-CH2 3.91Å; W549-W623 AromaticContact CZ2-CZ2 3.92Å; W549-W623 HydrophobicContact CZ2-CZ2 3.92Å; W549-W623 AromaticContact NE1-CH2 2.91Å; W549-W623 AromaticContact NE1-CZ2 3.77Å; W549-W623 AromaticContact NE1-CZ3 3.21Å; D551-W623 HydrophobicContact CB-CH2 4.35Å; D551-W623 WeakPolarHBondContact OD1-CH2 3.17Å; L608-W623 HydrophobicContact CD1-CB 4.27Å; L608-W623 HydrophobicContact CD1-CD2 4.45Å; L608-W623 HydrophobicContact CD1-CE3 3.69Å; L608-W623 HydrophobicContact CD1-CZ3 4.45Å; L608-W623 HydrophobicContact CD2-CD2 3.92Å; L608-W623 HydrophobicContact CD2-CE3 3.38Å; L608-W623 HydrophobicContact CD2-CG 4.49Å; L608-W623 HydrophobicContact CD2-CZ3 3.74Å; L608-W623 HydrophobicContact CG-CD2 4.29Å; L608-W623 HydrophobicContact CG-CE3 3.34Å; L608-W623 HydrophobicContact CG-CZ3 3.67Å; T609-W623 VanDerWaalsContact O-CE3 3.3Å; T609-W623 WeakPolarHBondContact O-CZ3 3.16Å; R610-W623 VanDerWaalsContact CA-CZ3 3.5Å; R610-W623 HydrophobicContact CB-CE3 4.49Å; R610-W623 HydrophobicContact CB-CH2 3.37Å; R610-W623 HydrophobicContact CB-CZ2 4.02Å; R610-W623 HydrophobicContact CB-CZ3 3.69Å; R610-W623 HydrophobicContact CG-CH2 3.65Å; R610-W623 HydrophobicContact CG-CZ2 3.75Å; R610-W623 HydrophobicContact CG-CZ3 4.19Å; W623-G625 VanDerWaalsContact NE1-CA 3.25Å; W623-G625 PolarHBondContact NE1-O 3.37Å; W623-G625 PolarHBondContact O-N 2.88Å; W623-G653 WeakPolarHBondContact CA-O 3.07Å; W623-G653 WeakPolarHBondContact CB-O 3.15Å; W623-F680 HydrophobicContact CB-CD1 4.23Å; W623-F680 HydrophobicContact CB-CE1 4.25Å
624	T	98.6	Very high	98.4	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	7%	0.074	C	C	.	.			trans	-78.9	25.7	-171.6	66.8	0	0	0	0	115.3	E270 M640 G653 A654	E270-T624 WeakPolarHBondContact OE1-CA 3.28Å; E270-T624 WeakPolarHBondContact OE1-CB 3.31Å; T624-M640 HydrophobicContact CG2-CB 3.93Å; T624-M640 HydrophobicContact CG2-CE 3.85Å; T624-M640 HydrophobicContact CG2-SD 4.22Å; T624-G653 PolarHBondContact N-O 3.24Å; T624-G653 VanDerWaalsContact N-O 3.14Å; T624-A654 HydrophobicContact CG2-CB 4.49Å; T624-A654 WeakPolarHBondContact OG1-CB 3.14Å
625	G	96.8	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.			trans	58.6	-147.6	-178	0	0	0	0	0	115.2	Y305 W623 N627	Y305-G625 VanDerWaalsContact CE2-CA 3.48Å; W623-G625 VanDerWaalsContact NE1-CA 3.25Å; W623-G625 PolarHBondContact NE1-O 3.37Å; W623-G625 PolarHBondContact O-N 2.88Å; G625-N627 PolarHBondContact O-N 2.95Å
626	D	96.6	Very high	98.4	Very high	16 Å²	16	18 Å²	18	9%	0.086	9%	0.087	C	C	.	.	S	Bend	trans	-86.8	73.9	-163	-65.7	-3.6	0	0	0	112.3	Y296 Y305 F659 F660	Y296-D626 WeakPolarHBondContact CE1-O 3.38Å; Y305-D626 PolarHBondContact OH-N 3.25Å; Y305-D626 VanDerWaalsContact OH-N 3.13Å; D626-F659 HydrophobicContact CB-CD1 3.61Å; D626-F659 HydrophobicContact CB-CE1 3.97Å; D626-F659 HydrophobicContact CB-CG 4.32Å; D626-F660 HydrophobicContact CB-CD2 4.29Å; D626-F660 HydrophobicContact CB-CE2 3.46Å; D626-F660 VanDerWaalsContact CB-CE2 3.46Å; D626-F660 HydrophobicContact CB-CZ 3.93Å; D626-F660 WeakPolarHBondContact O-CD2 3.18Å; D626-F660 WeakPolarHBondContact O-CE2 3.16Å
627	N	97.6	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.			trans	-71.7	169.3	177.6	67.7	0.1	0	0	0	113.2	Y296 G625 D655 G658 F659 F660 W671	Y296-N627 HydrophobicContact CE1-CB 4.19Å; Y296-N627 VanDerWaalsContact OH-CB 3.22Å; Y296-N627 WeakPolarHBondContact OH-CB 3.12Å; G625-N627 PolarHBondContact O-N 2.95Å; N627-D655 PolarHBondContact ND2-N 3.11Å; N627-D655 PolarHBondContact ND2-O 3.37Å; N627-G658 VanDerWaalsContact OD1-CA 3.29Å; N627-G658 WeakPolarHBondContact OD1-CA 3.35Å; N627-F659 WeakPolarHBondContact O-CA 3.29Å; N627-F659 VanDerWaalsContact O-CB 3.31Å; N627-F659 WeakPolarHBondContact O-CB 3.11Å; N627-F659 PolarHBondContact O-N 3.37Å; N627-F659 PolarHBondContact OD1-N 3.04Å; N627-F660 PolarHBondContact O-N 3.16Å; N627-W671 VanDerWaalsContact ND2-CZ2 3.34Å; N627-W671 WeakPolarHBondContact ND2-CZ2 3.47Å
628	A	97.9	Very high	98.4	Very high	7 Å²	7	18 Å²	18	6%	0.058	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-108	149.3	179	0	0	0	0	0	112.6	E630 H633 F660 K661 W671	A628-E630 PolarHBondContact O-N 2.75Å; A628-H633 PolarHBondContact N-ND1 2.82Å; A628-H633 WeakPolarHBondContact O-CB 3.32Å; A628-F660 HydrophobicContact CB-CB 4.43Å; A628-K661 HydrophobicContact CB-CD 4.38Å; A628-W671 VanDerWaalsContact O-CH2 3.23Å; A628-W671 WeakPolarHBondContact O-CH2 3.36Å
629	A	98.2	Very high	98.4	Very high	8 Å²	8	16.1 Å²	16.1	7%	0.066	8%	0.08	C	C	.	.	S	Bend	trans	-71.7	62.2	176.7	0	0	0	0	0	112.9	G657 F660 K661 P663 L667	A629-G657 WeakPolarHBondContact CB-O 3.32Å; A629-F660 WeakPolarHBondContact CB-O 3.37Å; A629-F660 PolarHBondContact N-O 3.17Å; A629-K661 HydrophobicContact CB-CB 4.08Å; A629-P663 HydrophobicContact CB-CB 4.01Å; A629-P663 HydrophobicContact CB-CG 4.36Å; A629-L667 VanDerWaalsContact C-CD2 3.46Å; A629-L667 VanDerWaalsContact O-CD2 3.29Å; A629-L667 WeakPolarHBondContact O-CD2 3.45Å
630	E	98.4	Very high	98.4	Very high	80 Å²	80	15 Å²	15	37%	0.374	8%	0.076	S	C	.	.	S	Bend	trans	-136.3	151.7	-176.6	-68	177.5	149.4	0	0	111.1	A628 D632 H633 L634 K661	A628-E630 PolarHBondContact O-N 2.75Å; E630-D632 VanDerWaalsContact C-N 3.33Å; E630-D632 PolarHBondContact O-N 3.35Å; E630-H633 PolarHBondContact O-N 3.44Å; E630-H633 VanDerWaalsContact O-N 3.1Å; E630-L634 PolarHBondContact O-N 3.1Å; E630-L634 VanDerWaalsContact O-N 3.1Å; E630-K661 HydrophobicContact CG-CD 4.19Å; E630-K661 IonicContact OE1-NZ 3.83Å; E630-K661 PolarHBondContact OE1-NZ 3.18Å; E630-K661 IonicContact OE2-NZ 2.69Å; E630-K661 PolarHBondContact OE2-NZ 3.03Å
631	W	98.7	Very high	98.5	Very high	32 Å²	32	14.8 Å²	14.8	12%	0.121	7%	0.074	C	C	.	.	H	α-helix	trans	-60.1	-38.1	-176	-72.9	98.9	0	0	0	113.5	H633 L634 K635 E666 L667 R670 T766 E768	W631-H633 VanDerWaalsContact C-N 3.3Å; W631-H633 PolarHBondContact O-N 2.87Å; W631-L634 HydrophobicContact CE3-CD2 3.98Å; W631-L634 HydrophobicContact CZ3-CD2 4.1Å; W631-L634 WeakPolarHBondContact O-CB 3.25Å; W631-L634 PolarHBondContact O-N 2.81Å; W631-K635 PolarHBondContact O-N 3.44Å; W631-E666 HydrophobicContact CH2-CG 3.86Å; W631-E666 HydrophobicContact CZ2-CB 4.16Å; W631-E666 HydrophobicContact CZ2-CG 3.79Å; W631-L667 HydrophobicContact CD2-CD1 3.71Å; W631-L667 HydrophobicContact CE3-CD1 3.88Å; W631-L667 HydrophobicContact CG-CD1 4.05Å; W631-L667 HydrophobicContact CZ2-CB 4.06Å; W631-L667 HydrophobicContact CZ3-CD1 4.4Å; W631-R670 HydrophobicContact CH2-CB 4.04Å; W631-R670 HydrophobicContact CH2-CG 3.5Å; W631-R670 HydrophobicContact CZ3-CB 3.86Å; W631-R670 HydrophobicContact CZ3-CG 3.68Å; W631-T766 VanDerWaalsContact CE3-C 3.41Å; W631-E768 HydrophobicContact CD2-CB 4.13Å; W631-E768 HydrophobicContact CG-CB 4.38Å; W631-E768 VanDerWaalsContact CZ2-CA 3.5Å; W631-E768 HydrophobicContact CZ2-CB 3.78Å; W631-E768 HydrophobicContact CZ2-CG 3.84Å
632	D	98.4	Very high	98.5	Very high	82 Å²	82	14.8 Å²	14.8	44%	0.439	7%	0.074	S	C	.	.	H	α-helix	trans	-68	-30.1	177.7	-67.6	-46.1	0	0	0	112.4	L298 E630 K635 I636	L298-D632 HydrophobicContact CD1-CB 3.39Å; E630-D632 VanDerWaalsContact C-N 3.33Å; E630-D632 PolarHBondContact O-N 3.35Å; D632-K635 PolarHBondContact O-N 3.38Å; D632-I636 WeakPolarHBondContact O-CB 3.38Å; D632-I636 PolarHBondContact O-N 2.79Å
633	H	98.7	Very high	98.5	Very high	11 Å²	11	15.3 Å²	15.3	5%	0.051	8%	0.077	C	C	.	.	H	α-helix	trans	-74.4	-30.8	172.7	-82.1	-98.9	0	0	0	112.2	Y296 A628 E630 W631 S637 W671	Y296-H633 AromaticContact CE2-CE1 3.6Å; Y296-H633 AromaticContact CE2-ND1 3.84Å; Y296-H633 AromaticContact CZ-CE1 3.88Å; Y296-H633 AromaticContact CZ-ND1 3.82Å; A628-H633 PolarHBondContact N-ND1 2.82Å; A628-H633 WeakPolarHBondContact O-CB 3.32Å; E630-H633 PolarHBondContact O-N 3.44Å; E630-H633 VanDerWaalsContact O-N 3.1Å; W631-H633 VanDerWaalsContact C-N 3.3Å; W631-H633 PolarHBondContact O-N 2.87Å; H633-S637 PolarHBondContact O-N 3.38Å; H633-W671 HydrophobicContact CB-CH2 4.04Å
634	L	98.8	Very high	98.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.6	-48.4	166.8	169.5	61	0	0	0	110	E630 W631 S637 L667 R670 W671 T674 T766	E630-L634 PolarHBondContact O-N 3.1Å; E630-L634 VanDerWaalsContact O-N 3.1Å; W631-L634 HydrophobicContact CE3-CD2 3.98Å; W631-L634 HydrophobicContact CZ3-CD2 4.1Å; W631-L634 WeakPolarHBondContact O-CB 3.25Å; W631-L634 PolarHBondContact O-N 2.81Å; L634-S637 WeakPolarHBondContact O-CB 3.37Å; L634-S637 PolarHBondContact O-N 2.94Å; L634-S637 PolarHBondContact O-OG 3.09Å; L634-L667 HydrophobicContact CB-CD1 4.08Å; L634-L667 HydrophobicContact CD2-CD1 3.86Å; L634-R670 HydrophobicContact CD2-CB 3.86Å; L634-W671 HydrophobicContact CB-CD2 4.24Å; L634-W671 HydrophobicContact CB-CE3 4.29Å; L634-W671 HydrophobicContact CB-CZ2 4.5Å; L634-W671 HydrophobicContact CB-CZ3 4.42Å; L634-W671 HydrophobicContact CD1-CB 4.18Å; L634-W671 HydrophobicContact CD1-CD2 4.01Å; L634-W671 HydrophobicContact CD1-CG 3.72Å; L634-T674 HydrophobicContact CD1-CG2 3.86Å; L634-T766 HydrophobicContact CD2-CG2 4.36Å; L634-T766 HydrophobicContact CG-CG2 4.07Å
635	K	98.8	Very high	98.5	Very high	59 Å²	59	15.4 Å²	15.4	26%	0.257	8%	0.078	S	C	.	.	H	α-helix	trans	-62.3	-49.3	-179.3	-169.5	173.9	-171.2	166.3	0	112.7	W631 D632 S637 I638 P639 E767	W631-K635 PolarHBondContact O-N 3.44Å; D632-K635 PolarHBondContact O-N 3.38Å; K635-S637 PolarHBondContact O-N 3.32Å; K635-S637 VanDerWaalsContact O-N 3.17Å; K635-I638 PolarHBondContact O-N 3.27Å; K635-P639 WeakPolarHBondContact O-CD 3.22Å; K635-E767 IonicContact NZ-OE1 2.88Å; K635-E767 PolarHBondContact NZ-OE1 2.99Å
636	I	98.8	Very high	98.6	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-65	-20.2	-177.8	-152.4	74.8	0	0	0	112.9	A272 L298 Y299 D632 I638 P639 M640	A272-I636 HydrophobicContact CB-CG1 4.42Å; L298-I636 HydrophobicContact CD1-CB 4.49Å; L298-I636 HydrophobicContact CD1-CG2 4.49Å; L298-I636 HydrophobicContact CD2-CB 4.22Å; L298-I636 HydrophobicContact CD2-CG1 4.25Å; L298-I636 HydrophobicContact CD2-CG2 3.73Å; Y299-I636 HydrophobicContact CD1-CD1 3.93Å; Y299-I636 HydrophobicContact CE1-CD1 3.42Å; Y299-I636 VanDerWaalsContact CE1-CD1 3.42Å; D632-I636 WeakPolarHBondContact O-CB 3.38Å; D632-I636 PolarHBondContact O-N 2.79Å; I636-I638 PolarHBondContact O-N 2.8Å; I636-I638 VanDerWaalsContact O-N 3.16Å; I636-P639 HydrophobicContact CD1-CG 4.04Å; I636-P639 HydrophobicContact CG1-CG 4.32Å; I636-P639 WeakPolarHBondContact O-CD 3.39Å; I636-P639 VanDerWaalsContact O-CG 3.3Å; I636-P639 WeakPolarHBondContact O-CG 3.12Å; I636-M640 HydrophobicContact CG1-CG 4.27Å; I636-M640 HydrophobicContact CG1-SD 4.3Å; I636-M640 HydrophobicContact CG2-SD 4.03Å; I636-M640 VanDerWaalsContact O-CG 3.3Å; I636-M640 WeakPolarHBondContact O-CG 3.17Å; I636-M640 PolarHBondContact O-N 3.06Å; I636-M640 VanDerWaalsContact O-N 3.17Å
637	S	98.9	Very high	98.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.075	C	C	.	.	H	α-helix	trans	-59.1	-28.9	177.5	73.9	0	0	0	0	112.6	H633 L634 K635 C641 Q678	H633-S637 PolarHBondContact O-N 3.38Å; L634-S637 WeakPolarHBondContact O-CB 3.37Å; L634-S637 PolarHBondContact O-N 2.94Å; L634-S637 PolarHBondContact O-OG 3.09Å; K635-S637 PolarHBondContact O-N 3.32Å; K635-S637 VanDerWaalsContact O-N 3.17Å; S637-C641 WeakPolarHBondContact O-CB 3.13Å; S637-C641 PolarHBondContact O-N 2.78Å; S637-C641 VanDerWaalsContact O-N 3.12Å; S637-C641 PolarHBondContact O-SG 2.04Å; S637-Q678 PolarHBondContact OG-NE2 2.95Å
638	I	98.9	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-68.2	-62.6	178.3	-56.9	173.1	0	0	0	110.8	K635 I636 M640 C641 L642 T674 M734 D751 F754 P764 T766	K635-I638 PolarHBondContact O-N 3.27Å; I636-I638 PolarHBondContact O-N 2.8Å; I636-I638 VanDerWaalsContact O-N 3.16Å; I638-M640 VanDerWaalsContact C-N 3.25Å; I638-M640 PolarHBondContact O-N 3.33Å; I638-C641 PolarHBondContact O-N 3.49Å; I638-L642 HydrophobicContact CG2-CD1 3.82Å; I638-L642 HydrophobicContact CG2-CG 4.29Å; I638-L642 WeakPolarHBondContact O-CB 3.45Å; I638-L642 VanDerWaalsContact O-CG 3.26Å; I638-L642 WeakPolarHBondContact O-CG 3.38Å; I638-L642 PolarHBondContact O-N 3.41Å; I638-T674 HydrophobicContact CG1-CG2 4.41Å; I638-M734 HydrophobicContact CG2-CE 3.94Å; I638-D751 WeakPolarHBondContact CG2-O 3.46Å; I638-F754 HydrophobicContact CD1-CE1 4.3Å; I638-F754 HydrophobicContact CG1-CE1 4.31Å; I638-F754 HydrophobicContact CG2-CD1 3.68Å; I638-F754 HydrophobicContact CG2-CE1 4.19Å; I638-P764 HydrophobicContact CD1-CG 4.12Å; I638-T766 HydrophobicContact CD1-CG2 4.24Å
639	P	98.9	Very high	98.8	Very high	7 Å²	7	15 Å²	15	5%	0.045	8%	0.079	C	C	.	.	H	α-helix	trans	-59.5	-33	179.8	19.6	-31	0	0	0	113.4	L275 K635 I636 L642 S643 D751	L275-P639 HydrophobicContact CB-CB 3.97Å; K635-P639 WeakPolarHBondContact O-CD 3.22Å; I636-P639 HydrophobicContact CD1-CG 4.04Å; I636-P639 HydrophobicContact CG1-CG 4.32Å; I636-P639 WeakPolarHBondContact O-CD 3.39Å; I636-P639 VanDerWaalsContact O-CG 3.3Å; I636-P639 WeakPolarHBondContact O-CG 3.12Å; P639-L642 PolarHBondContact O-N 3.24Å; P639-S643 WeakPolarHBondContact O-CB 3.11Å; P639-S643 PolarHBondContact O-N 3.33Å; P639-S643 PolarHBondContact O-OG 3.14Å; P639-D751 HydrophobicContact CB-CB 4.08Å
640	M	98.9	Very high	98.8	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-65.7	-46.7	175.8	-68.2	-177.5	77.5	0	0	112.5	E270 A272 L304 T624 I636 I638 L642 S643 L644	E270-M640 HydrophobicContact CG-CE 3.78Å; E270-M640 VanDerWaalsContact OE1-CE 3.27Å; E270-M640 WeakPolarHBondContact OE1-CE 3.3Å; A272-M640 HydrophobicContact CB-CE 4.42Å; A272-M640 HydrophobicContact CB-SD 4.07Å; L304-M640 HydrophobicContact CD1-CE 3.73Å; T624-M640 HydrophobicContact CG2-CB 3.93Å; T624-M640 HydrophobicContact CG2-CE 3.85Å; T624-M640 HydrophobicContact CG2-SD 4.22Å; I636-M640 HydrophobicContact CG1-CG 4.27Å; I636-M640 HydrophobicContact CG1-SD 4.3Å; I636-M640 HydrophobicContact CG2-SD 4.03Å; I636-M640 VanDerWaalsContact O-CG 3.3Å; I636-M640 WeakPolarHBondContact O-CG 3.17Å; I636-M640 PolarHBondContact O-N 3.06Å; I636-M640 VanDerWaalsContact O-N 3.17Å; I638-M640 VanDerWaalsContact C-N 3.25Å; I638-M640 PolarHBondContact O-N 3.33Å; M640-L642 VanDerWaalsContact C-N 3.31Å; M640-L642 PolarHBondContact O-N 2.92Å; M640-S643 PolarHBondContact O-N 2.93Å; M640-S643 PolarHBondContact O-OG 2.83Å; M640-L644 PolarHBondContact O-N 3.34Å
641	C	98.9	Very high	98.8	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.02	6%	0.059	C	C	.	.	H	α-helix	trans	-66.5	-35.8	176.3	-67.9	0	0	0	0	111.8	S637 I638 G645 C652 M734	S637-C641 WeakPolarHBondContact O-CB 3.13Å; S637-C641 PolarHBondContact O-N 2.78Å; S637-C641 VanDerWaalsContact O-N 3.12Å; S637-C641 PolarHBondContact O-SG 2.04Å; I638-C641 PolarHBondContact O-N 3.49Å; C641-G645 PolarHBondContact O-N 2.94Å; C641-C652 HydrophobicContact CB-CB 4.44Å; C641-C652 PolarHBondContact SG-SG 2.88Å; C641-M734 HydrophobicContact CB-CE 4.36Å; C641-M734 HydrophobicContact CB-SD 3.77Å
642	L	98.9	Very high	98.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.8	-43.2	176.8	-71	-179.9	0	0	0	112.1	L275 I638 P639 M640 L644 G645 L646 M734 P736 F754	L275-L642 HydrophobicContact CD1-CB 3.84Å; L275-L642 HydrophobicContact CD2-CB 4.14Å; L275-L642 HydrophobicContact CD2-CD1 3.94Å; I638-L642 HydrophobicContact CG2-CD1 3.82Å; I638-L642 HydrophobicContact CG2-CG 4.29Å; I638-L642 WeakPolarHBondContact O-CB 3.45Å; I638-L642 VanDerWaalsContact O-CG 3.26Å; I638-L642 WeakPolarHBondContact O-CG 3.38Å; I638-L642 PolarHBondContact O-N 3.41Å; P639-L642 PolarHBondContact O-N 3.24Å; M640-L642 VanDerWaalsContact C-N 3.31Å; M640-L642 PolarHBondContact O-N 2.92Å; L642-L644 VanDerWaalsContact C-N 3.34Å; L642-L644 PolarHBondContact O-N 2.78Å; L642-G645 PolarHBondContact O-N 3.23Å; L642-L646 WeakPolarHBondContact O-CG 3.44Å; L642-L646 PolarHBondContact O-N 2.85Å; L642-M734 HydrophobicContact CD2-CB 4.5Å; L642-M734 HydrophobicContact CD2-CE 3.96Å; L642-M734 HydrophobicContact CD2-CG 3.75Å; L642-M734 HydrophobicContact CD2-SD 4.22Å; L642-M734 HydrophobicContact CG-CE 4.08Å; L642-P736 HydrophobicContact CB-CG 4.18Å; L642-P736 HydrophobicContact CD1-CG 4.33Å; L642-P736 HydrophobicContact CD2-CG 4.11Å; L642-P736 HydrophobicContact CG-CG 4.44Å; L642-F754 HydrophobicContact CD1-CB 4.31Å; L642-F754 HydrophobicContact CD2-CB 3.92Å
643	S	98.9	Very high	98.8	Very high	12 Å²	12	5.8 Å²	5.8	8%	0.084	3%	0.033	C	C	.	.	H	α-helix	trans	-64	-39.7	179.4	70.8	0	0	0	0	111.7	P639 M640 L646	P639-S643 WeakPolarHBondContact O-CB 3.11Å; P639-S643 PolarHBondContact O-N 3.33Å; P639-S643 PolarHBondContact O-OG 3.14Å; M640-S643 PolarHBondContact O-N 2.93Å; M640-S643 PolarHBondContact O-OG 2.83Å; S643-L646 PolarHBondContact O-N 2.86Å
644	L	98.9	Very high	98.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-65	-43.2	173.7	-77.2	163.2	0	0	0	112.6	P269 F612 V622 M640 L642 L646 V647 G648 I649 C652	P269-L644 HydrophobicContact CB-CD2 3.74Å; P269-L644 HydrophobicContact CB-CG 3.94Å; P269-L644 HydrophobicContact CG-CD2 3.64Å; P269-L644 HydrophobicContact CG-CG 4.15Å; F612-L644 HydrophobicContact CD2-CD2 4.31Å; F612-L644 HydrophobicContact CE2-CD2 3.43Å; F612-L644 VanDerWaalsContact CE2-CD2 3.43Å; F612-L644 HydrophobicContact CZ-CD1 4.3Å; F612-L644 HydrophobicContact CZ-CD2 3.59Å; V622-L644 HydrophobicContact CG2-CD1 4.11Å; M640-L644 PolarHBondContact O-N 3.34Å; L642-L644 VanDerWaalsContact C-N 3.34Å; L642-L644 PolarHBondContact O-N 2.78Å; L644-L646 VanDerWaalsContact C-N 3.35Å; L644-L646 PolarHBondContact O-N 3.1Å; L644-V647 CarbonylContact O-C 3.52Å; L644-V647 WeakPolarHBondContact O-CG2 3.23Å; L644-V647 PolarHBondContact O-N 3.3Å; L644-V647 VanDerWaalsContact O-N 3.16Å; L644-G648 PolarHBondContact O-N 3.43Å; L644-I649 CarbonylContact C-O 3.47Å; L644-I649 HydrophobicContact CB-CB 4.31Å; L644-I649 HydrophobicContact CD2-CB 4.29Å; L644-I649 HydrophobicContact CD2-CD1 4Å; L644-I649 PolarHBondContact O-N 3.46Å; L644-C652 HydrophobicContact CB-CB 4.35Å; L644-C652 HydrophobicContact CD1-CB 4.24Å; L644-C652 WeakPolarHBondContact CD1-SG 3.31Å
645	G	98.8	Very high	98.9	Very high	3 Å²	3	5.3 Å²	5.3	3%	0.031	3%	0.031	C	C	.	.	H	α-helix	trans	-58.9	-43.2	175.7	0	0	0	0	0	112.8	C641 L642 V647 G648 I649	C641-G645 PolarHBondContact O-N 2.94Å; L642-G645 PolarHBondContact O-N 3.23Å; G645-V647 PolarHBondContact O-N 3Å; G645-G648 PolarHBondContact O-N 3.36Å; G645-G648 VanDerWaalsContact O-N 3.12Å; G645-I649 PolarHBondContact N-O 3.25Å
646	L	98.9	Very high	98.9	Very high	3 Å²	3	2.5 Å²	2.5	2%	0.016	2%	0.019	C	C	.	.	H	α-helix	trans	-60.7	-24.4	178.2	-72.7	176.9	0	0	0	113.8	Y266 L275 L312 F385 L642 S643 L644 P736 W738 V739	Y266-L646 HydrophobicContact CD1-CD1 4.46Å; Y266-L646 HydrophobicContact CG-CD1 4.16Å; L275-L646 HydrophobicContact CD1-CD1 3.88Å; L312-L646 HydrophobicContact CD2-CD2 4.49Å; F385-L646 HydrophobicContact CE1-CD2 3.92Å; F385-L646 WeakPolarHBondContact CE1-O 3.39Å; F385-L646 HydrophobicContact CZ-CD2 3.74Å; L642-L646 WeakPolarHBondContact O-CG 3.44Å; L642-L646 PolarHBondContact O-N 2.85Å; S643-L646 PolarHBondContact O-N 2.86Å; L644-L646 VanDerWaalsContact C-N 3.35Å; L644-L646 PolarHBondContact O-N 3.1Å; L646-P736 HydrophobicContact CD1-CG 4.15Å; L646-P736 HydrophobicContact CD2-CG 4.08Å; L646-P736 HydrophobicContact CG-CG 4.16Å; L646-W738 HydrophobicContact CD1-CZ2 3.79Å; L646-W738 HydrophobicContact CD2-CH2 3.96Å; L646-W738 HydrophobicContact CD2-CZ2 3.49Å; L646-W738 VanDerWaalsContact CD2-CZ2 3.49Å; L646-W738 HydrophobicContact CG-CZ2 4.3Å; L646-V739 HydrophobicContact CD2-CG2 3.83Å
647	V	98.8	Very high	98.8	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	28.1	179.4	-55.8	0	0	0	0	112.3	P269 V308 V310 L312 Y388 L644 G645 I649	P269-V647 HydrophobicContact CG-CG2 3.53Å; V308-V647 HydrophobicContact CB-CB 4.46Å; V308-V647 HydrophobicContact CB-CG2 3.86Å; V308-V647 HydrophobicContact CG1-CB 3.78Å; V308-V647 HydrophobicContact CG1-CG2 3.66Å; V308-V647 HydrophobicContact CG2-CG2 4.21Å; V310-V647 HydrophobicContact CB-CB 4.15Å; V310-V647 HydrophobicContact CB-CG1 3.79Å; V310-V647 HydrophobicContact CG1-CB 4.41Å; V310-V647 HydrophobicContact CG1-CG1 3.93Å; L312-V647 HydrophobicContact CD1-CG1 4.24Å; Y388-V647 WeakPolarHBondContact CE1-O 3.35Å; L644-V647 CarbonylContact O-C 3.52Å; L644-V647 WeakPolarHBondContact O-CG2 3.23Å; L644-V647 PolarHBondContact O-N 3.3Å; L644-V647 VanDerWaalsContact O-N 3.16Å; G645-V647 PolarHBondContact O-N 3Å; V647-I649 PolarHBondContact O-N 3.23Å
648	G	98.6	Very high	98.8	Very high	12 Å²	12	2.4 Å²	2.4	12%	0.124	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-11.6	167.5	0	0	0	0	0	115.9	Q617 L644 G645 S650	Q617-G648 WeakPolarHBondContact CB-O 3.21Å; L644-G648 PolarHBondContact O-N 3.43Å; G645-G648 PolarHBondContact O-N 3.36Å; G645-G648 VanDerWaalsContact O-N 3.12Å; G648-S650 PolarHBondContact O-N 3.16Å; G648-S650 VanDerWaalsContact O-N 3.14Å
649	I	98.9	Very high	98.8	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.005	2%	0.02	C	C	.	.			trans	-88.2	82	178.3	-55.4	-179.3	0	0	0	108.9	V308 F612 Q617 V622 L644 G645 V647	V308-I649 HydrophobicContact CG2-CD1 3.7Å; F612-I649 HydrophobicContact CB-CD1 4.46Å; F612-I649 HydrophobicContact CD2-CD1 3.7Å; F612-I649 HydrophobicContact CE2-CD1 4.23Å; F612-I649 HydrophobicContact CG-CD1 4.19Å; Q617-I649 HydrophobicContact CB-CG1 4.23Å; V622-I649 HydrophobicContact CB-CG2 4.36Å; V622-I649 HydrophobicContact CG1-CG2 3.91Å; V622-I649 HydrophobicContact CG2-CG2 3.49Å; V622-I649 VanDerWaalsContact CG2-CG2 3.49Å; L644-I649 CarbonylContact C-O 3.47Å; L644-I649 HydrophobicContact CB-CB 4.31Å; L644-I649 HydrophobicContact CD2-CB 4.29Å; L644-I649 HydrophobicContact CD2-CD1 4Å; L644-I649 PolarHBondContact O-N 3.46Å; G645-I649 PolarHBondContact N-O 3.25Å; V647-I649 PolarHBondContact O-N 3.23Å
650	S	98.8	Very high	98.7	Very high	4 Å²	4	2.7 Å²	2.7	3%	0.028	2%	0.019	C	C	.	.			trans	-77.6	-22.8	-177.4	-76.2	0	0	0	0	113.9	G648 C652 P679 P732 V733	G648-S650 PolarHBondContact O-N 3.16Å; G648-S650 VanDerWaalsContact O-N 3.14Å; S650-C652 PolarHBondContact O-N 3.46Å; S650-P679 WeakPolarHBondContact O-CB 3.31Å; S650-P679 VanDerWaalsContact O-CG 3.25Å; S650-P679 WeakPolarHBondContact O-CG 3.34Å; S650-P732 WeakPolarHBondContact OG-CA 3.31Å; S650-V733 PolarHBondContact OG-N 3.35Å
651	F	98.9	Very high	98.6	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.009	4%	0.037	C	C	.	.	S	Bend	trans	-91.9	68.1	-177.4	-158.1	3.1	0	0	0	112	Q395 P398 S402 L403 F606 A621 V622 P679 F680 F723	Q395-F651 VanDerWaalsContact OE1-N 3.08Å; P398-F651 HydrophobicContact CB-CD2 4.24Å; P398-F651 HydrophobicContact CB-CE2 3.78Å; P398-F651 HydrophobicContact CB-CZ 4.47Å; S402-F651 WeakPolarHBondContact O-CZ 3.21Å; S402-F651 WeakPolarHBondContact OG-CZ 3.46Å; L403-F651 HydrophobicContact CD2-CE1 4.02Å; L403-F651 HydrophobicContact CD2-CZ 4.07Å; F606-F651 HydrophobicContact CD2-CE2 4.01Å; F606-F651 HydrophobicContact CD2-CZ 4.32Å; F606-F651 AromaticContact CE2-CE2 3.87Å; F606-F651 HydrophobicContact CE2-CE2 3.87Å; F606-F651 AromaticContact CE2-CZ 3.85Å; F606-F651 HydrophobicContact CE2-CZ 3.85Å; A621-F651 VanDerWaalsContact CA-O 3.31Å; A621-F651 WeakPolarHBondContact CA-O 3.32Å; A621-F651 HydrophobicContact CB-CB 4.24Å; A621-F651 HydrophobicContact CB-CD1 4.02Å; A621-F651 HydrophobicContact CB-CD2 3.55Å; A621-F651 HydrophobicContact CB-CE1 4.25Å; A621-F651 HydrophobicContact CB-CE2 3.79Å; A621-F651 HydrophobicContact CB-CG 3.65Å; A621-F651 HydrophobicContact CB-CZ 4.12Å; V622-F651 PolarHBondContact N-O 3.37Å; F651-P679 HydrophobicContact CD1-CB 4.46Å; F651-F680 HydrophobicContact CD1-CB 3.8Å; F651-F680 HydrophobicContact CE1-CB 3.76Å; F651-F680 AromaticContact CE1-CD2 3.84Å; F651-F680 HydrophobicContact CE1-CD2 3.84Å; F651-F680 HydrophobicContact CE1-CG 4.27Å; F651-F680 HydrophobicContact CZ-CD2 4.22Å; F651-F723 HydrophobicContact CB-CE1 3.78Å; F651-F723 HydrophobicContact CB-CZ 4.04Å; F651-F723 HydrophobicContact CD1-CE1 4.24Å; F651-F723 AromaticContact CD1-CZ 3.74Å; F651-F723 HydrophobicContact CD1-CZ 3.74Å; F651-F723 HydrophobicContact CD2-CE1 4.41Å; F651-F723 HydrophobicContact CE1-CZ 4.38Å; F651-F723 AromaticContact CG-CE1 3.91Å; F651-F723 HydrophobicContact CG-CE1 3.91Å; F651-F723 AromaticContact CG-CZ 3.9Å; F651-F723 HydrophobicContact CG-CZ 3.9Å
652	C	98.9	Very high	98.5	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.007	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.1	-176.9	-176.8	0	0	0	0	112.5	V622 C641 L644 S650 P679 F680	V622-C652 HydrophobicContact CG2-CB 3.97Å; V622-C652 WeakPolarHBondContact O-CA 3.06Å; C641-C652 HydrophobicContact CB-CB 4.44Å; C641-C652 PolarHBondContact SG-SG 2.88Å; L644-C652 HydrophobicContact CB-CB 4.35Å; L644-C652 HydrophobicContact CD1-CB 4.24Å; L644-C652 WeakPolarHBondContact CD1-SG 3.31Å; S650-C652 PolarHBondContact O-N 3.46Å; C652-P679 WeakPolarHBondContact O-CB 3.25Å; C652-P679 VanDerWaalsContact O-CD 3.31Å; C652-P679 WeakPolarHBondContact O-CD 3.18Å; C652-F680 PolarHBondContact O-N 3.11Å
653	G	98.8	Very high	98.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	172.8	171.4	0	0	0	0	0	112.1	V622 W623 T624 F680	V622-G653 PolarHBondContact O-N 3.32Å; W623-G653 WeakPolarHBondContact CA-O 3.07Å; W623-G653 WeakPolarHBondContact CB-O 3.15Å; T624-G653 PolarHBondContact N-O 3.24Å; T624-G653 VanDerWaalsContact N-O 3.14Å; G653-F680 WeakPolarHBondContact CA-O 3.16Å
654	A	98.8	Very high	98.4	Very high	2 Å²	2	12.6 Å²	12.6	2%	0.017	8%	0.077	C	C	.	.			trans	-119.8	155.3	172.7	0	0	0	0	0	110.5	T624 V656	T624-A654 HydrophobicContact CG2-CB 4.49Å; T624-A654 WeakPolarHBondContact OG1-CB 3.14Å; A654-V656 PolarHBondContact O-N 3.2Å; A654-V656 VanDerWaalsContact O-N 3.15Å
655	D	98.9	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.			trans	-66.1	117.5	-177.9	-77	-28.7	0	0	0	111.8	N627 G657 G658 W671 R682 H684	N627-D655 PolarHBondContact ND2-N 3.11Å; N627-D655 PolarHBondContact ND2-O 3.37Å; D655-G657 PolarHBondContact O-N 2.86Å; D655-G658 PolarHBondContact O-N 2.81Å; D655-W671 VanDerWaalsContact O-CE2 3.29Å; D655-W671 VanDerWaalsContact O-CZ2 3.32Å; D655-W671 WeakPolarHBondContact O-CZ2 3.37Å; D655-W671 PolarHBondContact O-NE1 3Å; D655-R682 VanDerWaalsContact CG-NH2 3.35Å; D655-R682 IonicContact OD1-CZ 2.7Å; D655-R682 VanDerWaalsContact OD1-CZ 3.28Å; D655-R682 IonicContact OD1-NE 3.44Å; D655-R682 PolarHBondContact OD1-NE 3.25Å; D655-R682 IonicContact OD1-NH2 2.7Å; D655-R682 PolarHBondContact OD1-NH2 2.98Å; D655-R682 IonicContact OD2-NH2 3.64Å; D655-R682 PolarHBondContact OD2-NH2 3.04Å; D655-R682 VanDerWaalsContact OD2-NH2 3.14Å; D655-H684 HydrophobicContact CB-CB 4.18Å; D655-H684 WeakPolarHBondContact OD1-CB 3.22Å; D655-H684 IonicContact OD2-CD2 3.47Å; D655-H684 PolarHBondContact OD2-CD2 2.79Å; D655-H684 IonicContact OD2-CG 3.92Å
656	V	98.9	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-68	123.6	-177.5	175.9	0	0	0	0	110	A654 W671 Y672 F681 R682 A683 R692	A654-V656 PolarHBondContact O-N 3.2Å; A654-V656 VanDerWaalsContact O-N 3.15Å; V656-W671 HydrophobicContact CB-CG 4.49Å; V656-W671 HydrophobicContact CG1-CB 4.01Å; V656-W671 HydrophobicContact CG1-CG 4.11Å; V656-Y672 HydrophobicContact CG1-CD1 3.87Å; V656-Y672 HydrophobicContact CG1-CD2 4Å; V656-Y672 HydrophobicContact CG1-CE1 4.06Å; V656-Y672 HydrophobicContact CG1-CE2 4.17Å; V656-Y672 HydrophobicContact CG1-CG 3.84Å; V656-F681 HydrophobicContact CG2-CD2 3.82Å; V656-F681 HydrophobicContact CG2-CE2 3.78Å; V656-R682 WeakPolarHBondContact CB-O 3.48Å; V656-R682 WeakPolarHBondContact CG2-O 3.34Å; V656-R682 PolarHBondContact N-O 2.88Å; V656-A683 HydrophobicContact CB-CB 4.06Å; V656-A683 HydrophobicContact CG1-CB 4.48Å; V656-R692 PolarHBondContact O-NH1 2.6Å
657	G	98.3	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-1.8	-175.2	0	0	0	0	0	114.8	A629 D655 P663 W671	A629-G657 WeakPolarHBondContact CB-O 3.32Å; D655-G657 PolarHBondContact O-N 2.86Å; G657-P663 WeakPolarHBondContact O-CG 3.23Å; G657-W671 VanDerWaalsContact C-CE3 3.44Å; G657-W671 VanDerWaalsContact C-CZ3 3.47Å
658	G	98.3	Very high	98.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.			trans	76	124.7	176.7	0	0	0	0	0	114.1	N627 D655 W671 R692	N627-G658 VanDerWaalsContact OD1-CA 3.29Å; N627-G658 WeakPolarHBondContact OD1-CA 3.35Å; D655-G658 PolarHBondContact O-N 2.81Å; G658-W671 VanDerWaalsContact N-CZ3 3.33Å; G658-R692 PolarHBondContact O-NH2 3.22Å
659	F	97.9	Very high	98.3	Very high	8 Å²	8	17 Å²	17	4%	0.035	10%	0.097	C	C	.	.	S	Bend	trans	-58.3	-54.4	-174.4	177.7	-105.4	0	0	0	112.4	W410 D626 N627 H684 H686	W410-F659 HydrophobicContact CE3-CZ 4.01Å; W410-F659 HydrophobicContact CZ3-CZ 4.43Å; D626-F659 HydrophobicContact CB-CD1 3.61Å; D626-F659 HydrophobicContact CB-CE1 3.97Å; D626-F659 HydrophobicContact CB-CG 4.32Å; N627-F659 WeakPolarHBondContact O-CA 3.29Å; N627-F659 VanDerWaalsContact O-CB 3.31Å; N627-F659 WeakPolarHBondContact O-CB 3.11Å; N627-F659 PolarHBondContact O-N 3.37Å; N627-F659 PolarHBondContact OD1-N 3.04Å; F659-H684 AromaticContact CD2-CD2 3.49Å; F659-H684 VanDerWaalsContact CD2-CD2 3.49Å; F659-H684 WeakPolarHBondContact CD2-CD2 3.37Å; F659-H684 AromaticContact CD2-NE2 3.68Å; F659-H684 AromaticContact CE2-CD2 3.72Å; F659-H684 AromaticContact CE2-NE2 3.36Å; F659-H684 WeakPolarHBondContact CE2-NE2 3.27Å; F659-H686 HydrophobicContact CD1-CB 3.95Å; F659-H686 HydrophobicContact CD2-CB 4.23Å; F659-H686 HydrophobicContact CE1-CB 3.77Å; F659-H686 AromaticContact CE1-CD2 3.53Å; F659-H686 HydrophobicContact CE2-CB 4.03Å; F659-H686 HydrophobicContact CG-CB 4.21Å; F659-H686 HydrophobicContact CZ-CB 3.82Å; F659-H686 AromaticContact CZ-CD2 3.64Å; F659-H686 WeakPolarHBondContact O-CB 3.42Å; F659-H686 PolarHBondContact O-N 2.95Å
660	F	97.1	Very high	98.3	Very high	4 Å²	4	17 Å²	17	2%	0.018	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-82.7	159.8	175.1	-63.7	-66.9	0	0	0	112.9	F294 Q295 D626 N627 A628 A629 H686	F294-F660 HydrophobicContact CD2-CE1 4.14Å; F294-F660 AromaticContact CD2-CZ 3.59Å; F294-F660 HydrophobicContact CD2-CZ 3.59Å; F294-F660 AromaticContact CE2-CE1 3.39Å; F294-F660 HydrophobicContact CE2-CE1 3.39Å; F294-F660 HydrophobicContact CE2-CE2 4.46Å; F294-F660 AromaticContact CE2-CZ 3.33Å; F294-F660 HydrophobicContact CE2-CZ 3.33Å; F294-F660 HydrophobicContact CG-CZ 4.39Å; F294-F660 AromaticContact CZ-CE1 3.76Å; F294-F660 HydrophobicContact CZ-CE1 3.76Å; F294-F660 AromaticContact CZ-CZ 3.95Å; F294-F660 HydrophobicContact CZ-CZ 3.95Å; Q295-F660 HydrophobicContact CB-CD2 4.45Å; Q295-F660 HydrophobicContact CB-CE2 4.26Å; Q295-F660 HydrophobicContact CG-CD1 4.13Å; Q295-F660 HydrophobicContact CG-CD2 3.5Å; Q295-F660 HydrophobicContact CG-CE1 4.09Å; Q295-F660 HydrophobicContact CG-CE2 3.41Å; Q295-F660 VanDerWaalsContact CG-CE2 3.41Å; Q295-F660 HydrophobicContact CG-CG 3.85Å; Q295-F660 HydrophobicContact CG-CZ 3.74Å; D626-F660 HydrophobicContact CB-CD2 4.29Å; D626-F660 HydrophobicContact CB-CE2 3.46Å; D626-F660 VanDerWaalsContact CB-CE2 3.46Å; D626-F660 HydrophobicContact CB-CZ 3.93Å; D626-F660 WeakPolarHBondContact O-CD2 3.18Å; D626-F660 WeakPolarHBondContact O-CE2 3.16Å; N627-F660 PolarHBondContact O-N 3.16Å; A628-F660 HydrophobicContact CB-CB 4.43Å; A629-F660 WeakPolarHBondContact CB-O 3.37Å; A629-F660 PolarHBondContact N-O 3.17Å; F660-H686 HydrophobicContact CD1-CB 4.24Å; F660-H686 AromaticContact CE1-CD2 3.75Å
661	K	96.9	Very high	98.3	Very high	90 Å²	90	16.9 Å²	16.9	39%	0.391	10%	0.096	S	C	.	.	S	Bend	trans	64.4	-175.6	176.2	-53.3	171.6	-175.8	167.9	0	112.2	A628 A629 E630 T689	A628-K661 HydrophobicContact CB-CD 4.38Å; A629-K661 HydrophobicContact CB-CB 4.08Å; E630-K661 HydrophobicContact CG-CD 4.19Å; E630-K661 IonicContact OE1-NZ 3.83Å; E630-K661 PolarHBondContact OE1-NZ 3.18Å; E630-K661 IonicContact OE2-NZ 2.69Å; E630-K661 PolarHBondContact OE2-NZ 3.03Å; K661-T689 VanDerWaalsContact O-CG2 3.25Å; K661-T689 WeakPolarHBondContact O-CG2 3.34Å
662	S	97.4	Very high	98.3	Very high	71 Å²	71	16.8 Å²	16.8	50%	0.497	10%	0.095	S	C	.	.			trans	-119.3	121	179.7	-64	0	0	0	0	109.4	P690	S662-P690 WeakPolarHBondContact OG-CD 3.44Å
663	P	97.9	Very high	98.3	Very high	14 Å²	14	16.9 Å²	16.9	9%	0.091	10%	0.096	C	C	.	.			trans	-70.1	148.1	179.9	28.3	-33.6	0	0	0	110.5	A629 G657 L667 L668	A629-P663 HydrophobicContact CB-CB 4.01Å; A629-P663 HydrophobicContact CB-CG 4.36Å; G657-P663 WeakPolarHBondContact O-CG 3.23Å; P663-L667 HydrophobicContact CB-CB 4.24Å; P663-L667 HydrophobicContact CB-CD2 3.89Å; P663-L667 HydrophobicContact CB-CG 4.05Å; P663-L668 HydrophobicContact CB-CB 4.3Å; P663-L668 HydrophobicContact CG-CB 4.2Å; P663-L668 HydrophobicContact CG-CD1 4.16Å
664	S	97.9	Very high	98.3	Very high	49 Å²	49	16.9 Å²	16.9	34%	0.343	10%	0.096	S	C	.	.			trans	-62.6	157.7	161.4	75.1	0	0	0	0	109.5	E666 L667 L668	S664-E666 PolarHBondContact O-N 3.07Å; S664-L667 PolarHBondContact O-N 3.03Å; S664-L667 WeakPolarHBondContact OG-CB 3.49Å; S664-L667 PolarHBondContact OG-N 3.07Å; S664-L667 VanDerWaalsContact OG-N 3.15Å; S664-L668 PolarHBondContact O-N 2.77Å
665	T	97.3	Very high	98.3	Very high	52 Å²	52	16.9 Å²	16.9	32%	0.319	10%	0.096	S	C	.	.	H	α-helix	trans	-58.3	-35.4	175.7	-52.1	0	0	0	0	111.8	V669 F697 N701	T665-V669 WeakPolarHBondContact O-CG2 3.29Å; T665-V669 PolarHBondContact O-N 3.03Å; T665-F697 HydrophobicContact CG2-CB 4.01Å; T665-F697 HydrophobicContact CG2-CD1 4.13Å; T665-F697 HydrophobicContact CG2-CG 4.47Å; T665-N701 HydrophobicContact CG2-CB 3.78Å; T665-N701 WeakPolarHBondContact CG2-ND2 3.44Å
666	E	98.4	Very high	98.3	Very high	52 Å²	52	16.9 Å²	16.9	24%	0.243	10%	0.096	C	C	.	.	H	α-helix	trans	-63.4	-52.1	177.2	-171.4	178.3	171.9	0	0	111.4	W631 S664 L668 V669 R670 G769 M805	W631-E666 HydrophobicContact CH2-CG 3.86Å; W631-E666 HydrophobicContact CZ2-CB 4.16Å; W631-E666 HydrophobicContact CZ2-CG 3.79Å; S664-E666 PolarHBondContact O-N 3.07Å; E666-L668 VanDerWaalsContact C-N 3.3Å; E666-L668 PolarHBondContact O-N 2.86Å; E666-V669 PolarHBondContact O-N 2.69Å; E666-R670 WeakPolarHBondContact O-CG 3.47Å; E666-R670 PolarHBondContact O-N 3.31Å; E666-G769 WeakPolarHBondContact OE1-CA 3.24Å; E666-G769 PolarHBondContact OE1-N 3.15Å; E666-M805 VanDerWaalsContact CA-CE 3.47Å; E666-M805 HydrophobicContact CB-CE 4.08Å; E666-M805 HydrophobicContact CG-CE 3.8Å; E666-M805 HydrophobicContact CG-SD 3.89Å
667	L	98.8	Very high	98.3	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-57.5	-44.6	178.2	175.9	58.9	0	0	0	111.3	A629 W631 L634 P663 S664 V669 R670 W671	A629-L667 VanDerWaalsContact C-CD2 3.46Å; A629-L667 VanDerWaalsContact O-CD2 3.29Å; A629-L667 WeakPolarHBondContact O-CD2 3.45Å; W631-L667 HydrophobicContact CD2-CD1 3.71Å; W631-L667 HydrophobicContact CE3-CD1 3.88Å; W631-L667 HydrophobicContact CG-CD1 4.05Å; W631-L667 HydrophobicContact CZ2-CB 4.06Å; W631-L667 HydrophobicContact CZ3-CD1 4.4Å; L634-L667 HydrophobicContact CB-CD1 4.08Å; L634-L667 HydrophobicContact CD2-CD1 3.86Å; P663-L667 HydrophobicContact CB-CB 4.24Å; P663-L667 HydrophobicContact CB-CD2 3.89Å; P663-L667 HydrophobicContact CB-CG 4.05Å; S664-L667 PolarHBondContact O-N 3.03Å; S664-L667 WeakPolarHBondContact OG-CB 3.49Å; S664-L667 PolarHBondContact OG-N 3.07Å; S664-L667 VanDerWaalsContact OG-N 3.15Å; L667-V669 PolarHBondContact O-N 2.83Å; L667-R670 PolarHBondContact O-N 2.9Å; L667-W671 HydrophobicContact CD1-CE3 3.91Å; L667-W671 HydrophobicContact CD1-CZ3 4.27Å; L667-W671 HydrophobicContact CD2-CE3 4.42Å; L667-W671 HydrophobicContact CD2-CZ3 4.3Å; L667-W671 HydrophobicContact CG-CE3 4.02Å; L667-W671 HydrophobicContact CG-CZ3 4.37Å; L667-W671 WeakPolarHBondContact O-CB 3.31Å; L667-W671 PolarHBondContact O-N 2.93Å
668	L	98.6	Very high	98.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-47.3	-179.2	-175.6	64	0	0	0	111.9	P663 S664 E666 W671 Y672 F697 I705	P663-L668 HydrophobicContact CB-CB 4.3Å; P663-L668 HydrophobicContact CG-CB 4.2Å; P663-L668 HydrophobicContact CG-CD1 4.16Å; S664-L668 PolarHBondContact O-N 2.77Å; E666-L668 VanDerWaalsContact C-N 3.3Å; E666-L668 PolarHBondContact O-N 2.86Å; L668-W671 WeakPolarHBondContact O-CB 3.39Å; L668-W671 PolarHBondContact O-N 3.28Å; L668-Y672 HydrophobicContact CD1-CD2 4.05Å; L668-Y672 HydrophobicContact CD1-CE2 3.63Å; L668-Y672 HydrophobicContact CD2-CE2 4.28Å; L668-Y672 HydrophobicContact CG-CD2 3.98Å; L668-Y672 HydrophobicContact CG-CE2 3.77Å; L668-Y672 VanDerWaalsContact O-CD2 3.25Å; L668-Y672 WeakPolarHBondContact O-CD2 3.24Å; L668-Y672 PolarHBondContact O-N 2.56Å; L668-F697 HydrophobicContact CD2-CD1 4.09Å; L668-F697 HydrophobicContact CD2-CD2 3.47Å; L668-F697 VanDerWaalsContact CD2-CD2 3.47Å; L668-F697 HydrophobicContact CD2-CE1 3.82Å; L668-F697 HydrophobicContact CD2-CE2 3.17Å; L668-F697 HydrophobicContact CD2-CG 3.94Å; L668-F697 HydrophobicContact CD2-CZ 3.37Å; L668-I705 HydrophobicContact CD2-CD1 4.33Å; L668-I705 HydrophobicContact CG-CD1 4.4Å
669	V	98.8	Very high	98.4	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-61.7	-45.8	177.3	172.3	0	0	0	0	110.8	T665 E666 L667 W671 Y672 Q673 N701 L704 I705 M805	T665-V669 WeakPolarHBondContact O-CG2 3.29Å; T665-V669 PolarHBondContact O-N 3.03Å; E666-V669 PolarHBondContact O-N 2.69Å; L667-V669 PolarHBondContact O-N 2.83Å; V669-W671 PolarHBondContact O-N 3.34Å; V669-Y672 PolarHBondContact O-N 3.13Å; V669-Q673 VanDerWaalsContact O-CG 3.29Å; V669-Q673 WeakPolarHBondContact O-CG 3.49Å; V669-Q673 PolarHBondContact O-N 2.93Å; V669-N701 HydrophobicContact CG2-CB 4.06Å; V669-L704 HydrophobicContact CG1-CB 3.93Å; V669-L704 HydrophobicContact CG1-CD1 4.33Å; V669-I705 HydrophobicContact CG2-CD1 4.18Å; V669-I705 HydrophobicContact CG2-CG1 3.96Å; V669-M805 HydrophobicContact CB-CE 3.38Å; V669-M805 HydrophobicContact CG1-CE 3.66Å; V669-M805 HydrophobicContact CG1-CG 4.48Å; V669-M805 HydrophobicContact CG2-CE 3.72Å
670	R	98.8	Very high	98.4	Very high	3 Å²	3	17 Å²	17	1%	0.011	10%	0.096	C	C	.	.	H	α-helix	trans	-62.2	-32	176.9	-66.9	-43	-170.6	173.9	2	112.8	W631 L634 E666 L667 Q673 T674 T804 M805 S807	W631-R670 HydrophobicContact CH2-CB 4.04Å; W631-R670 HydrophobicContact CH2-CG 3.5Å; W631-R670 HydrophobicContact CZ3-CB 3.86Å; W631-R670 HydrophobicContact CZ3-CG 3.68Å; L634-R670 HydrophobicContact CD2-CB 3.86Å; E666-R670 WeakPolarHBondContact O-CG 3.47Å; E666-R670 PolarHBondContact O-N 3.31Å; L667-R670 PolarHBondContact O-N 2.9Å; R670-Q673 WeakPolarHBondContact O-CB 3.45Å; R670-Q673 PolarHBondContact O-N 3.31Å; R670-T674 PolarHBondContact O-N 3.23Å; R670-T674 PolarHBondContact O-OG1 3.1Å; R670-T804 PolarHBondContact NH1-O 3.31Å; R670-T804 PolarHBondContact NH2-O 2.73Å; R670-M805 PolarHBondContact NH1-O 3.5Å; R670-S807 PolarHBondContact NH1-O 2.86Å
671	W	98.9	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-70.3	-42.6	175.5	-144.2	-37	0	0	0	112.2	N627 A628 H633 L634 D655 V656 G657 G658 L667 L668 V669 Q673 T674 G675	N627-W671 VanDerWaalsContact ND2-CZ2 3.34Å; N627-W671 WeakPolarHBondContact ND2-CZ2 3.47Å; A628-W671 VanDerWaalsContact O-CH2 3.23Å; A628-W671 WeakPolarHBondContact O-CH2 3.36Å; H633-W671 HydrophobicContact CB-CH2 4.04Å; L634-W671 HydrophobicContact CB-CD2 4.24Å; L634-W671 HydrophobicContact CB-CE3 4.29Å; L634-W671 HydrophobicContact CB-CZ2 4.5Å; L634-W671 HydrophobicContact CB-CZ3 4.42Å; L634-W671 HydrophobicContact CD1-CB 4.18Å; L634-W671 HydrophobicContact CD1-CD2 4.01Å; L634-W671 HydrophobicContact CD1-CG 3.72Å; D655-W671 VanDerWaalsContact O-CE2 3.29Å; D655-W671 VanDerWaalsContact O-CZ2 3.32Å; D655-W671 WeakPolarHBondContact O-CZ2 3.37Å; D655-W671 PolarHBondContact O-NE1 3Å; V656-W671 HydrophobicContact CB-CG 4.49Å; V656-W671 HydrophobicContact CG1-CB 4.01Å; V656-W671 HydrophobicContact CG1-CG 4.11Å; G657-W671 VanDerWaalsContact C-CE3 3.44Å; G657-W671 VanDerWaalsContact C-CZ3 3.47Å; G658-W671 VanDerWaalsContact N-CZ3 3.33Å; L667-W671 HydrophobicContact CD1-CE3 3.91Å; L667-W671 HydrophobicContact CD1-CZ3 4.27Å; L667-W671 HydrophobicContact CD2-CE3 4.42Å; L667-W671 HydrophobicContact CD2-CZ3 4.3Å; L667-W671 HydrophobicContact CG-CE3 4.02Å; L667-W671 HydrophobicContact CG-CZ3 4.37Å; L667-W671 WeakPolarHBondContact O-CB 3.31Å; L667-W671 PolarHBondContact O-N 2.93Å; L668-W671 WeakPolarHBondContact O-CB 3.39Å; L668-W671 PolarHBondContact O-N 3.28Å; V669-W671 PolarHBondContact O-N 3.34Å; W671-Q673 VanDerWaalsContact C-N 3.26Å; W671-Q673 PolarHBondContact O-N 2.87Å; W671-T674 PolarHBondContact O-N 3.42Å; W671-G675 PolarHBondContact O-N 3.5Å
672	Y	98.9	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-38.3	171.7	-82.9	-78.3	0	0	0	111.6	Y405 V656 L668 V669 A676 F681 A683 P694 I705 I709	Y405-Y672 AromaticContact CE2-CE1 3.76Å; Y405-Y672 HydrophobicContact CE2-CE1 3.76Å; Y405-Y672 AromaticContact CZ-CE1 3.77Å; Y405-Y672 PolarHBondContact OH-OH 3.19Å; Y405-Y672 VanDerWaalsContact OH-OH 3.1Å; V656-Y672 HydrophobicContact CG1-CD1 3.87Å; V656-Y672 HydrophobicContact CG1-CD2 4Å; V656-Y672 HydrophobicContact CG1-CE1 4.06Å; V656-Y672 HydrophobicContact CG1-CE2 4.17Å; V656-Y672 HydrophobicContact CG1-CG 3.84Å; L668-Y672 HydrophobicContact CD1-CD2 4.05Å; L668-Y672 HydrophobicContact CD1-CE2 3.63Å; L668-Y672 HydrophobicContact CD2-CE2 4.28Å; L668-Y672 HydrophobicContact CG-CD2 3.98Å; L668-Y672 HydrophobicContact CG-CE2 3.77Å; L668-Y672 VanDerWaalsContact O-CD2 3.25Å; L668-Y672 WeakPolarHBondContact O-CD2 3.24Å; L668-Y672 PolarHBondContact O-N 2.56Å; V669-Y672 PolarHBondContact O-N 3.13Å; Y672-A676 WeakPolarHBondContact O-CB 3.37Å; Y672-A676 PolarHBondContact O-N 2.86Å; Y672-F681 HydrophobicContact CD1-CE2 4.12Å; Y672-F681 AromaticContact CD1-CZ 3.91Å; Y672-F681 HydrophobicContact CD1-CZ 3.91Å; Y672-A683 HydrophobicContact CE1-CB 4.5Å; Y672-P694 HydrophobicContact CE2-CB 4.49Å; Y672-I705 HydrophobicContact CD1-CG2 3.67Å; Y672-I705 HydrophobicContact CD2-CB 4.31Å; Y672-I705 HydrophobicContact CD2-CD1 3.74Å; Y672-I705 HydrophobicContact CD2-CG1 3.74Å; Y672-I705 HydrophobicContact CD2-CG2 3.62Å; Y672-I705 HydrophobicContact CE1-CG2 3.88Å; Y672-I705 HydrophobicContact CE2-CD1 3.85Å; Y672-I705 HydrophobicContact CE2-CG1 4.28Å; Y672-I705 HydrophobicContact CE2-CG2 3.84Å; Y672-I705 HydrophobicContact CG-CB 4.42Å; Y672-I705 HydrophobicContact CG-CG1 4.2Å; Y672-I705 HydrophobicContact CG-CG2 3.55Å; Y672-I709 HydrophobicContact CD1-CD1 3.97Å; Y672-I709 HydrophobicContact CD1-CG1 4.14Å; Y672-I709 HydrophobicContact CE1-CD1 3.91Å
673	Q	98.8	Very high	98.7	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-60.5	-43.1	174.6	-69.3	174.7	-13.3	0	0	112.6	V669 R670 W671 Y677 V708 M805 I808	V669-Q673 VanDerWaalsContact O-CG 3.29Å; V669-Q673 WeakPolarHBondContact O-CG 3.49Å; V669-Q673 PolarHBondContact O-N 2.93Å; R670-Q673 WeakPolarHBondContact O-CB 3.45Å; R670-Q673 PolarHBondContact O-N 3.31Å; W671-Q673 VanDerWaalsContact C-N 3.26Å; W671-Q673 PolarHBondContact O-N 2.87Å; Q673-Y677 WeakPolarHBondContact O-CD2 3.36Å; Q673-V708 HydrophobicContact CG-CB 4.4Å; Q673-V708 HydrophobicContact CG-CG1 4.39Å; Q673-V708 HydrophobicContact CG-CG2 4.46Å; Q673-M805 PolarHBondContact NE2-O 2.78Å; Q673-I808 HydrophobicContact CB-CD1 3.91Å; Q673-I808 HydrophobicContact CB-CG1 4Å; Q673-I808 HydrophobicContact CG-CD1 3.62Å; Q673-I808 HydrophobicContact CG-CG1 3.72Å
674	T	98.9	Very high	98.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-73.6	-50.3	178.6	-57.6	0	0	0	0	111.7	L634 I638 R670 W671 A676 Y677 Q678 P764	L634-T674 HydrophobicContact CD1-CG2 3.86Å; I638-T674 HydrophobicContact CG1-CG2 4.41Å; R670-T674 PolarHBondContact O-N 3.23Å; R670-T674 PolarHBondContact O-OG1 3.1Å; W671-T674 PolarHBondContact O-N 3.42Å; T674-A676 VanDerWaalsContact C-N 3.3Å; T674-A676 PolarHBondContact O-N 3.11Å; T674-Y677 PolarHBondContact O-N 3.05Å; T674-Q678 PolarHBondContact O-N 3.26Å; T674-P764 HydrophobicContact CG2-CB 4.15Å; T674-P764 HydrophobicContact CG2-CG 4.06Å; T674-P764 WeakPolarHBondContact OG1-CB 3.45Å
675	G	98.8	Very high	98.7	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.01	4%	0.035	C	C	.	.	H	α-helix	trans	-63.5	-31.8	-176.9	0	0	0	0	0	113.5	W671 Y677 Q678 F681	W671-G675 PolarHBondContact O-N 3.5Å; G675-Y677 PolarHBondContact O-N 3Å; G675-Y677 VanDerWaalsContact O-N 3.14Å; G675-Q678 PolarHBondContact O-N 3.45Å; G675-F681 VanDerWaalsContact O-CD2 3.29Å; G675-F681 WeakPolarHBondContact O-CD2 3.49Å
676	A	98.9	Very high	98.8	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.008	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.7	174.1	0	0	0	0	0	113.2	Y672 T674 F681 V708 R712	Y672-A676 WeakPolarHBondContact O-CB 3.37Å; Y672-A676 PolarHBondContact O-N 2.86Å; T674-A676 VanDerWaalsContact C-N 3.3Å; T674-A676 PolarHBondContact O-N 3.11Å; A676-F681 HydrophobicContact CB-CE1 4.17Å; A676-F681 HydrophobicContact CB-CZ 4.03Å; A676-V708 HydrophobicContact CB-CG2 3.28Å; A676-R712 HydrophobicContact CB-CB 4.13Å; A676-R712 WeakPolarHBondContact O-CD 3.34Å; A676-R712 PolarHBondContact O-NH1 3.3Å
677	Y	98.9	Very high	98.7	Very high	4 Å²	4	6.5 Å²	6.5	2%	0.016	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	7.3	176.3	-73.2	-87.4	0	0	0	113.7	Q673 T674 G675 Q711 F715 W719 F754 L756 V762 I808 V810	Q673-Y677 WeakPolarHBondContact O-CD2 3.36Å; T674-Y677 PolarHBondContact O-N 3.05Å; G675-Y677 PolarHBondContact O-N 3Å; G675-Y677 VanDerWaalsContact O-N 3.14Å; Y677-Q711 PolarHBondContact OH-NE2 2.77Å; Y677-Q711 PolarHBondContact OH-OE1 3.07Å; Y677-F715 HydrophobicContact CE1-CE2 4.48Å; Y677-W719 WeakPolarHBondContact O-CH2 3.16Å; Y677-F754 WeakPolarHBondContact O-CE2 3.47Å; Y677-L756 HydrophobicContact CD1-CD1 3.79Å; Y677-V762 HydrophobicContact CD1-CG1 4.18Å; Y677-V762 HydrophobicContact CD1-CG2 3.58Å; Y677-V762 HydrophobicContact CD2-CG1 4.36Å; Y677-V762 HydrophobicContact CE1-CG2 4.2Å; Y677-V762 HydrophobicContact CG-CG1 3.87Å; Y677-V762 HydrophobicContact CG-CG2 4.1Å; Y677-I808 HydrophobicContact CD2-CG2 4.29Å; Y677-I808 HydrophobicContact CE2-CD1 4.34Å; Y677-I808 HydrophobicContact CE2-CG2 3.97Å; Y677-V810 HydrophobicContact CE1-CG1 4.02Å; Y677-V810 HydrophobicContact CE1-CG2 3.96Å; Y677-V810 HydrophobicContact CE2-CG2 4.05Å
678	Q	98.9	Very high	98.5	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.068	C	C	.	.	S	Bend	trans	-98.9	148.5	171.8	-72.8	175.4	-15.1	0	0	111.3	S637 T674 G675 F680 R712 M734	S637-Q678 PolarHBondContact OG-NE2 2.95Å; T674-Q678 PolarHBondContact O-N 3.26Å; G675-Q678 PolarHBondContact O-N 3.45Å; Q678-F680 PolarHBondContact O-N 2.83Å; Q678-R712 PolarHBondContact O-NH1 2.93Å; Q678-M734 HydrophobicContact CG-CE 4.42Å; Q678-M734 HydrophobicContact CG-SD 4.37Å
679	P	98.9	Very high	98.5	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.013	7%	0.071	C	C	.	.	S	Bend	trans	-55.3	-49.9	-173.9	-26	32.6	0	0	0	114.7	S650 F651 C652 R712 W719 F723 V733 M734	S650-P679 WeakPolarHBondContact O-CB 3.31Å; S650-P679 VanDerWaalsContact O-CG 3.25Å; S650-P679 WeakPolarHBondContact O-CG 3.34Å; F651-P679 HydrophobicContact CD1-CB 4.46Å; C652-P679 WeakPolarHBondContact O-CB 3.25Å; C652-P679 VanDerWaalsContact O-CD 3.31Å; C652-P679 WeakPolarHBondContact O-CD 3.18Å; P679-R712 PolarHBondContact O-NH2 3Å; P679-W719 HydrophobicContact CB-CZ3 4.15Å; P679-W719 HydrophobicContact CG-CH2 4.46Å; P679-W719 HydrophobicContact CG-CZ3 4.11Å; P679-F723 HydrophobicContact CB-CE2 4.27Å; P679-F723 HydrophobicContact CB-CZ 3.89Å; P679-V733 HydrophobicContact CG-CG1 4.46Å; P679-M734 HydrophobicContact CG-CB 3.92Å
680	F	98.9	Very high	98.4	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.009	10%	0.096	C	C	.	.	S	Bend	trans	-98.7	126.1	172.4	179.7	-119.2	0	0	0	110.7	H406 W436 F606 L608 A621 W623 F651 C652 G653 Q678 R682	H406-F680 AromaticContact CE1-CE2 3.93Å; H406-F680 AromaticContact ND1-CE2 3.96Å; W436-F680 HydrophobicContact CH2-CE2 4.48Å; W436-F680 AromaticContact CH2-CZ 3.89Å; W436-F680 HydrophobicContact CH2-CZ 3.89Å; W436-F680 HydrophobicContact CZ2-CE2 4.16Å; W436-F680 AromaticContact CZ2-CZ 3.82Å; W436-F680 HydrophobicContact CZ2-CZ 3.82Å; F606-F680 HydrophobicContact CE2-CE2 4.25Å; F606-F680 HydrophobicContact CZ-CD2 4.5Å; F606-F680 AromaticContact CZ-CE2 3.76Å; F606-F680 HydrophobicContact CZ-CE2 3.76Å; F606-F680 HydrophobicContact CZ-CZ 4.45Å; L608-F680 HydrophobicContact CD1-CD1 4.02Å; L608-F680 HydrophobicContact CD1-CE1 3.6Å; L608-F680 HydrophobicContact CD1-CE2 4.48Å; L608-F680 HydrophobicContact CD1-CZ 3.86Å; L608-F680 HydrophobicContact CD2-CE1 3.82Å; L608-F680 HydrophobicContact CD2-CZ 3.83Å; L608-F680 HydrophobicContact CG-CE1 4.36Å; L608-F680 HydrophobicContact CG-CZ 4.37Å; A621-F680 HydrophobicContact CB-CD2 4.4Å; W623-F680 HydrophobicContact CB-CD1 4.23Å; W623-F680 HydrophobicContact CB-CE1 4.25Å; F651-F680 HydrophobicContact CD1-CB 3.8Å; F651-F680 HydrophobicContact CE1-CB 3.76Å; F651-F680 AromaticContact CE1-CD2 3.84Å; F651-F680 HydrophobicContact CE1-CD2 3.84Å; F651-F680 HydrophobicContact CE1-CG 4.27Å; F651-F680 HydrophobicContact CZ-CD2 4.22Å; C652-F680 PolarHBondContact O-N 3.11Å; G653-F680 WeakPolarHBondContact CA-O 3.16Å; Q678-F680 PolarHBondContact O-N 2.83Å; F680-R682 HydrophobicContact CD1-CB 4.47Å; F680-R682 HydrophobicContact CE1-CB 3.68Å; F680-R682 HydrophobicContact CE2-CB 4.42Å; F680-R682 HydrophobicContact CZ-CB 3.65Å; F680-R682 HydrophobicContact CZ-CG 4.32Å
681	F	98.9	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.			trans	-124.7	90.2	-170.4	-179.6	-146.2	0	0	0	112	Y405 H406 V656 Y672 G675 A676 I709 R712	Y405-F681 AromaticContact CD2-CD1 3.68Å; Y405-F681 HydrophobicContact CD2-CD1 3.68Å; Y405-F681 HydrophobicContact CD2-CD2 4.2Å; Y405-F681 AromaticContact CD2-CE1 3.5Å; Y405-F681 HydrophobicContact CD2-CE1 3.5Å; Y405-F681 VanDerWaalsContact CD2-CE1 3.5Å; Y405-F681 HydrophobicContact CD2-CE2 4.03Å; Y405-F681 HydrophobicContact CD2-CG 4.04Å; Y405-F681 AromaticContact CD2-CZ 3.7Å; Y405-F681 HydrophobicContact CD2-CZ 3.7Å; Y405-F681 HydrophobicContact CE2-CE1 4.43Å; Y405-F681 HydrophobicContact CE2-CE2 4.29Å; Y405-F681 HydrophobicContact CE2-CZ 4.2Å; Y405-F681 HydrophobicContact CG-CD1 4.22Å; Y405-F681 AromaticContact CG-CE1 3.97Å; Y405-F681 HydrophobicContact CG-CE1 3.97Å; Y405-F681 HydrophobicContact CG-CZ 4.48Å; H406-F681 WeakPolarHBondContact CB-O 3.42Å; H406-F681 PolarHBondContact CD2-O 2.83Å; H406-F681 PolarHBondContact N-O 3.45Å; V656-F681 HydrophobicContact CG2-CD2 3.82Å; V656-F681 HydrophobicContact CG2-CE2 3.78Å; Y672-F681 HydrophobicContact CD1-CE2 4.12Å; Y672-F681 AromaticContact CD1-CZ 3.91Å; Y672-F681 HydrophobicContact CD1-CZ 3.91Å; G675-F681 VanDerWaalsContact O-CD2 3.29Å; G675-F681 WeakPolarHBondContact O-CD2 3.49Å; A676-F681 HydrophobicContact CB-CE1 4.17Å; A676-F681 HydrophobicContact CB-CZ 4.03Å; F681-I709 HydrophobicContact CE1-CG1 4.12Å; F681-I709 HydrophobicContact CZ-CG1 4.02Å; F681-R712 HydrophobicContact CD1-CG 4.06Å; F681-R712 HydrophobicContact CE1-CG 4.34Å
682	R	98.9	Very high	98.4	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.6	-179.7	-174.9	-178	75.3	165.6	5.2	112	H406 C408 D655 V656 F680 H684	H406-R682 HydrophobicContact CB-CB 3.78Å; H406-R682 HydrophobicContact CB-CG 3.84Å; H406-R682 WeakPolarHBondContact O-CA 3.46Å; C408-R682 HydrophobicContact CB-CG 4.09Å; D655-R682 VanDerWaalsContact CG-NH2 3.35Å; D655-R682 IonicContact OD1-CZ 2.7Å; D655-R682 VanDerWaalsContact OD1-CZ 3.28Å; D655-R682 IonicContact OD1-NE 3.44Å; D655-R682 PolarHBondContact OD1-NE 3.25Å; D655-R682 IonicContact OD1-NH2 2.7Å; D655-R682 PolarHBondContact OD1-NH2 2.98Å; D655-R682 IonicContact OD2-NH2 3.64Å; D655-R682 PolarHBondContact OD2-NH2 3.04Å; D655-R682 VanDerWaalsContact OD2-NH2 3.14Å; V656-R682 WeakPolarHBondContact CB-O 3.48Å; V656-R682 WeakPolarHBondContact CG2-O 3.34Å; V656-R682 PolarHBondContact N-O 2.88Å; F680-R682 HydrophobicContact CD1-CB 4.47Å; F680-R682 HydrophobicContact CE1-CB 3.68Å; F680-R682 HydrophobicContact CE2-CB 4.42Å; F680-R682 HydrophobicContact CZ-CB 3.65Å; F680-R682 HydrophobicContact CZ-CG 4.32Å; R682-H684 HydrophobicContact CG-CB 4.41Å; R682-H684 PolarHBondContact NH2-CD2 2.8Å
683	A	98.9	Very high	98.4	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.017	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.6	159	0	0	0	0	0	109.4	Y405 H406 C408 V656 Y672	Y405-A683 HydrophobicContact CE2-CB 4.07Å; Y405-A683 WeakPolarHBondContact OH-CB 3.36Å; H406-A683 PolarHBondContact O-N 2.53Å; C408-A683 CarbonylContact C-O 3.44Å; C408-A683 VanDerWaalsContact CA-O 3.31Å; C408-A683 WeakPolarHBondContact CA-O 3.3Å; C408-A683 VanDerWaalsContact CB-O 3.23Å; C408-A683 WeakPolarHBondContact CB-O 3.44Å; C408-A683 PolarHBondContact N-O 2.87Å; V656-A683 HydrophobicContact CB-CB 4.06Å; V656-A683 HydrophobicContact CG1-CB 4.48Å; Y672-A683 HydrophobicContact CE1-CB 4.5Å
684	H	98.8	Very high	98.3	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.019	11%	0.112	C	C	.	.			trans	-146.8	155	178	-175.8	46.4	0	0	0	109.6	C408 R409 D438 W549 D655 F659 R682 R692	C408-H684 HydrophobicContact CB-CB 4.03Å; C408-H684 WeakPolarHBondContact O-CA 3.32Å; C408-H684 VanDerWaalsContact SG-CE1 3.51Å; C408-H684 PolarHBondContact SG-ND1 2.66Å; R409-H684 WeakPolarHBondContact CA-ND1 3.41Å; D438-H684 IonicContact OD2-CE1 3.52Å; D438-H684 PolarHBondContact OD2-CE1 2.94Å; D438-H684 VanDerWaalsContact OD2-CE1 3.25Å; D438-H684 IonicContact OD2-NE2 3.82Å; W549-H684 AromaticContact CH2-NE2 3.77Å; D655-H684 HydrophobicContact CB-CB 4.18Å; D655-H684 WeakPolarHBondContact OD1-CB 3.22Å; D655-H684 IonicContact OD2-CD2 3.47Å; D655-H684 PolarHBondContact OD2-CD2 2.79Å; D655-H684 IonicContact OD2-CG 3.92Å; F659-H684 AromaticContact CD2-CD2 3.49Å; F659-H684 VanDerWaalsContact CD2-CD2 3.49Å; F659-H684 WeakPolarHBondContact CD2-CD2 3.37Å; F659-H684 AromaticContact CD2-NE2 3.68Å; F659-H684 AromaticContact CE2-CD2 3.72Å; F659-H684 AromaticContact CE2-NE2 3.36Å; F659-H684 WeakPolarHBondContact CE2-NE2 3.27Å; R682-H684 HydrophobicContact CG-CB 4.41Å; R682-H684 PolarHBondContact NH2-CD2 2.8Å; H684-R692 PolarHBondContact O-NH2 3Å
685	A	98.4	Very high	98.3	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.017	12%	0.12	C	C	.	.			trans	-153.5	143.2	-169.4	0	0	0	0	0	111.3	R409 W410 T689 R692	R409-A685 HydrophobicContact CB-CB 4.26Å; W410-A685 WeakPolarHBondContact CB-O 3.1Å; W410-A685 PolarHBondContact N-O 3.46Å; A685-T689 WeakPolarHBondContact CB-OG1 3.37Å; A685-R692 HydrophobicContact CB-CG 4.46Å; A685-R692 VanDerWaalsContact CB-CZ 3.48Å; A685-R692 VanDerWaalsContact CB-NH2 3.31Å
686	H	98	Very high	98.2	Very high	29 Å²	29	27.8 Å²	27.8	13%	0.134	14%	0.141	C	C	.	.			trans	-66.5	158.3	178.3	178.4	-95.9	0	0	0	112.8	W410 F659 F660 D688 T689	W410-H686 AromaticContact CE3-CD2 3.94Å; W410-H686 AromaticContact CZ3-CD2 3.89Å; W410-H686 AromaticContact CZ3-NE2 3.96Å; F659-H686 HydrophobicContact CD1-CB 3.95Å; F659-H686 HydrophobicContact CD2-CB 4.23Å; F659-H686 HydrophobicContact CE1-CB 3.77Å; F659-H686 AromaticContact CE1-CD2 3.53Å; F659-H686 HydrophobicContact CE2-CB 4.03Å; F659-H686 HydrophobicContact CG-CB 4.21Å; F659-H686 HydrophobicContact CZ-CB 3.82Å; F659-H686 AromaticContact CZ-CD2 3.64Å; F659-H686 WeakPolarHBondContact O-CB 3.42Å; F659-H686 PolarHBondContact O-N 2.95Å; F660-H686 HydrophobicContact CD1-CB 4.24Å; F660-H686 AromaticContact CE1-CD2 3.75Å; H686-D688 VanDerWaalsContact C-N 3.34Å; H686-D688 IonicContact CE1-OD2 2.65Å; H686-D688 PolarHBondContact CE1-OD2 2.7Å; H686-D688 PolarHBondContact ND1-N 3.04Å; H686-D688 IonicContact ND1-OD2 3.84Å; H686-D688 PolarHBondContact O-N 3.4Å; H686-T689 HydrophobicContact CB-CG2 3.99Å; H686-T689 WeakPolarHBondContact O-CB 3.17Å; H686-T689 WeakPolarHBondContact O-CG2 3.4Å; H686-T689 PolarHBondContact O-N 2.83Å; H686-T689 PolarHBondContact O-OG1 2.64Å
687	L	96.2	Very high	98.1	Very high	75 Å²	75	29.8 Å²	29.8	39%	0.393	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-49.2	-177.1	-177.3	60.7	0	0	0	113.7	R409 W410 T689	R409-L687 PolarHBondContact NH2-O 2.93Å; W410-L687 HydrophobicContact CB-CB 4.46Å; W410-L687 HydrophobicContact CD2-CB 3.74Å; W410-L687 HydrophobicContact CE3-CB 4.14Å; W410-L687 HydrophobicContact CG-CB 3.87Å; W410-L687 HydrophobicContact CG-CD1 4.34Å; W410-L687 HydrophobicContact CZ2-CB 4.45Å; W410-L687 HydrophobicContact CZ2-CD2 4.25Å; W410-L687 VanDerWaalsContact O-CA 3.31Å; W410-L687 WeakPolarHBondContact O-CA 3.41Å; L687-T689 PolarHBondContact O-N 2.64Å
688	D	95.6	Very high	97.9	Very high	139 Å²	139	31.2 Å²	31.2	74%	0.743	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.1	-174.9	-63.4	-29.5	0	0	0	114.1	H686	H686-D688 VanDerWaalsContact C-N 3.34Å; H686-D688 IonicContact CE1-OD2 2.65Å; H686-D688 PolarHBondContact CE1-OD2 2.7Å; H686-D688 PolarHBondContact ND1-N 3.04Å; H686-D688 IonicContact ND1-OD2 3.84Å; H686-D688 PolarHBondContact O-N 3.4Å
689	T	97.8	Very high	97.8	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.067	20%	0.201	C	C	.	.	S	Bend	trans	-81.8	145.2	-178.3	67.6	0	0	0	0	111.9	R409 K661 A685 H686 L687	R409-T689 PolarHBondContact NH1-O 3.22Å; R409-T689 PolarHBondContact NH2-O 2.68Å; K661-T689 VanDerWaalsContact O-CG2 3.25Å; K661-T689 WeakPolarHBondContact O-CG2 3.34Å; A685-T689 WeakPolarHBondContact CB-OG1 3.37Å; H686-T689 HydrophobicContact CB-CG2 3.99Å; H686-T689 WeakPolarHBondContact O-CB 3.17Å; H686-T689 WeakPolarHBondContact O-CG2 3.4Å; H686-T689 PolarHBondContact O-N 2.83Å; H686-T689 PolarHBondContact O-OG1 2.64Å; L687-T689 PolarHBondContact O-N 2.64Å
690	P	97.7	Very high	97.7	Very high	81 Å²	81	44 Å²	44	53%	0.526	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-55.6	155.4	167.4	-18.3	29.9	0	0	0	111.4	S662 R692	S662-P690 WeakPolarHBondContact OG-CD 3.44Å; P690-R692 PolarHBondContact O-N 2.86Å
691	R	98.4	Very high	97.7	Very high	82 Å²	82	45.6 Å²	45.6	31%	0.309	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-58.4	136.3	169.2	-69.9	-71.1	-72.4	-126.4	-11.3	109.8	D417 E693 L696	D417-R691 VanDerWaalsContact CG-NH1 3.25Å; D417-R691 IonicContact OD1-CZ 2.86Å; D417-R691 VanDerWaalsContact OD1-CZ 3.3Å; D417-R691 IonicContact OD1-NH1 3.42Å; D417-R691 PolarHBondContact OD1-NH1 3.33Å; D417-R691 IonicContact OD1-NH2 3.45Å; D417-R691 PolarHBondContact OD1-NH2 2.76Å; D417-R691 IonicContact OD2-CZ 3.54Å; D417-R691 IonicContact OD2-NH1 3.59Å; D417-R691 PolarHBondContact OD2-NH1 2.76Å; R691-E693 IonicContact CZ-OE1 3.02Å; R691-E693 IonicContact CZ-OE2 3.37Å; R691-E693 VanDerWaalsContact NE-CD 3.29Å; R691-E693 IonicContact NE-OE1 3.87Å; R691-E693 PolarHBondContact NE-OE1 3.23Å; R691-E693 IonicContact NE-OE2 2.75Å; R691-E693 PolarHBondContact NE-OE2 3.12Å; R691-E693 IonicContact NH2-OE1 3.52Å; R691-E693 IonicContact NH2-OE2 2.73Å; R691-L696 HydrophobicContact CB-CD1 3.63Å
692	R	98.2	Very high	97.6	Very high	14 Å²	14	45.9 Å²	45.9	5%	0.053	25%	0.245	C	C	.	.			trans	-143.2	32.1	-176.5	61.1	-178.5	177.4	86.5	-11.9	113.8	V656 G658 H684 A685 P690 F697	V656-R692 PolarHBondContact O-NH1 2.6Å; G658-R692 PolarHBondContact O-NH2 3.22Å; H684-R692 PolarHBondContact O-NH2 3Å; A685-R692 HydrophobicContact CB-CG 4.46Å; A685-R692 VanDerWaalsContact CB-CZ 3.48Å; A685-R692 VanDerWaalsContact CB-NH2 3.31Å; P690-R692 PolarHBondContact O-N 2.86Å; R692-F697 HydrophobicContact CB-CE2 3.65Å; R692-F697 HydrophobicContact CB-CZ 3.63Å
693	E	98.7	Very high	97.6	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.014	26%	0.262	C	S	.	.			trans	-51.3	143.2	161.5	-72.4	69.7	-148	0	0	109.8	Y412 V421 R691 W695 L696	Y412-E693 VanDerWaalsContact CE1-OE1 3.26Å; Y412-E693 WeakPolarHBondContact CE1-OE1 3.3Å; Y412-E693 PolarHBondContact OH-OE1 2.93Å; V421-E693 HydrophobicContact CG1-CG 4.23Å; V421-E693 HydrophobicContact CG2-CG 4.37Å; R691-E693 IonicContact CZ-OE1 3.02Å; R691-E693 IonicContact CZ-OE2 3.37Å; R691-E693 VanDerWaalsContact NE-CD 3.29Å; R691-E693 IonicContact NE-OE1 3.87Å; R691-E693 PolarHBondContact NE-OE1 3.23Å; R691-E693 IonicContact NE-OE2 2.75Å; R691-E693 PolarHBondContact NE-OE2 3.12Å; R691-E693 IonicContact NH2-OE1 3.52Å; R691-E693 IonicContact NH2-OE2 2.73Å; E693-W695 HydrophobicContact CB-CD2 4.02Å; E693-W695 HydrophobicContact CB-CE3 4.14Å; E693-W695 HydrophobicContact CB-CH2 3.72Å; E693-W695 HydrophobicContact CB-CZ2 3.58Å; E693-W695 HydrophobicContact CB-CZ3 3.99Å; E693-W695 HydrophobicContact CG-CH2 3.83Å; E693-W695 HydrophobicContact CG-CZ2 3.82Å; E693-W695 HydrophobicContact CG-CZ3 4.46Å; E693-W695 PolarHBondContact O-N 2.84Å; E693-L696 HydrophobicContact CB-CD1 4.16Å; E693-L696 HydrophobicContact CB-CG 4.36Å; E693-L696 WeakPolarHBondContact O-CB 3.43Å; E693-L696 WeakPolarHBondContact O-CG 3.41Å; E693-L696 PolarHBondContact O-N 3.35Å
694	P	97.9	Very high	97.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.6	-17	-160.2	22.3	-34.1	0	0	0	114.8	F425 I430 Y672 T702 I705	F425-P694 HydrophobicContact CE1-CG 3.85Å; F425-P694 HydrophobicContact CZ-CG 4.13Å; I430-P694 HydrophobicContact CD1-CB 3.98Å; I430-P694 HydrophobicContact CD1-CG 3.74Å; I430-P694 HydrophobicContact CG2-CG 4.45Å; Y672-P694 HydrophobicContact CE2-CB 4.49Å; P694-T702 PolarHBondContact O-OG1 2.8Å; P694-I705 HydrophobicContact CB-CB 4.35Å; P694-I705 HydrophobicContact CB-CD1 4.31Å; P694-I705 HydrophobicContact CB-CG2 3.58Å
695	W	98.3	Very high	97.6	Very high	44 Å²	44	49.3 Å²	49.3	17%	0.167	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-85.4	-7.4	178.4	56.3	89.7	0	0	0	115.2	V421 F425 H428 E693 F697 T702	V421-W695 HydrophobicContact CG1-CH2 4.06Å; V421-W695 WeakPolarHBondContact O-CH2 3.41Å; F425-W695 AromaticContact CD1-CZ3 3.99Å; F425-W695 HydrophobicContact CD1-CZ3 3.99Å; F425-W695 AromaticContact CD2-CH2 3.77Å; F425-W695 HydrophobicContact CD2-CH2 3.77Å; F425-W695 AromaticContact CD2-CZ3 3.63Å; F425-W695 HydrophobicContact CD2-CZ3 3.63Å; F425-W695 AromaticContact CE1-CZ3 3.99Å; F425-W695 HydrophobicContact CE1-CZ3 3.99Å; F425-W695 AromaticContact CE2-CH2 3.77Å; F425-W695 HydrophobicContact CE2-CH2 3.77Å; F425-W695 AromaticContact CE2-CZ3 3.62Å; F425-W695 HydrophobicContact CE2-CZ3 3.62Å; F425-W695 HydrophobicContact CG-CH2 4.33Å; F425-W695 AromaticContact CG-CZ3 3.79Å; F425-W695 HydrophobicContact CG-CZ3 3.79Å; F425-W695 HydrophobicContact CZ-CH2 4.35Å; F425-W695 AromaticContact CZ-CZ3 3.79Å; F425-W695 HydrophobicContact CZ-CZ3 3.79Å; H428-W695 HydrophobicContact CB-CB 4.28Å; H428-W695 WeakPolarHBondContact CD2-CB 3.37Å; H428-W695 AromaticContact CD2-CD1 3.7Å; H428-W695 AromaticContact CD2-CD2 3.55Å; H428-W695 AromaticContact CD2-CE3 3.99Å; H428-W695 AromaticContact CD2-CG 3.2Å; H428-W695 WeakPolarHBondContact NE2-CB 3.11Å; H428-W695 AromaticContact NE2-CD1 3.45Å; H428-W695 AromaticContact NE2-CG 3.4Å; E693-W695 HydrophobicContact CB-CD2 4.02Å; E693-W695 HydrophobicContact CB-CE3 4.14Å; E693-W695 HydrophobicContact CB-CH2 3.72Å; E693-W695 HydrophobicContact CB-CZ2 3.58Å; E693-W695 HydrophobicContact CB-CZ3 3.99Å; E693-W695 HydrophobicContact CG-CH2 3.83Å; E693-W695 HydrophobicContact CG-CZ2 3.82Å; E693-W695 HydrophobicContact CG-CZ3 4.46Å; E693-W695 PolarHBondContact O-N 2.84Å; W695-F697 VanDerWaalsContact C-N 3.25Å; W695-F697 PolarHBondContact O-N 3.35Å; W695-T702 WeakPolarHBondContact CA-OG1 3.23Å; W695-T702 HydrophobicContact CB-CG2 4.01Å; W695-T702 PolarHBondContact O-OG1 3.25Å
696	L	97.9	Very high	97.6	Very high	86 Å²	86	52.3 Å²	52.3	45%	0.45	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-79.6	-3.3	-174.7	-60.7	176.2	0	0	0	114.1	R691 E693	R691-L696 HydrophobicContact CB-CD1 3.63Å; E693-L696 HydrophobicContact CB-CD1 4.16Å; E693-L696 HydrophobicContact CB-CG 4.36Å; E693-L696 WeakPolarHBondContact O-CB 3.43Å; E693-L696 WeakPolarHBondContact O-CG 3.41Å; E693-L696 PolarHBondContact O-N 3.35Å
697	F	95.1	Very high	97.6	Very high	44 Å²	44	56.6 Å²	56.6	19%	0.193	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-105	22.5	-172.4	-65.8	-94.1	0	0	0	114.1	T665 L668 R692 W695 N701	T665-F697 HydrophobicContact CG2-CB 4.01Å; T665-F697 HydrophobicContact CG2-CD1 4.13Å; T665-F697 HydrophobicContact CG2-CG 4.47Å; L668-F697 HydrophobicContact CD2-CD1 4.09Å; L668-F697 HydrophobicContact CD2-CD2 3.47Å; L668-F697 VanDerWaalsContact CD2-CD2 3.47Å; L668-F697 HydrophobicContact CD2-CE1 3.82Å; L668-F697 HydrophobicContact CD2-CE2 3.17Å; L668-F697 HydrophobicContact CD2-CG 3.94Å; L668-F697 HydrophobicContact CD2-CZ 3.37Å; R692-F697 HydrophobicContact CB-CE2 3.65Å; R692-F697 HydrophobicContact CB-CZ 3.63Å; W695-F697 VanDerWaalsContact C-N 3.25Å; W695-F697 PolarHBondContact O-N 3.35Å; F697-N701 HydrophobicContact CB-CB 4.06Å; F697-N701 WeakPolarHBondContact O-CB 3.36Å; F697-N701 PolarHBondContact O-ND2 3.22Å
698	G	95.8	Very high	97.7	Very high	33 Å²	33	53.1 Å²	53.1	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	80	156.7	179.9	0	0	0	0	0	113.6	E700 N701 T702	G698-E700 VanDerWaalsContact C-N 3.31Å; G698-E700 PolarHBondContact O-N 2.76Å; G698-N701 PolarHBondContact O-N 3.01Å; G698-T702 PolarHBondContact O-N 2.98Å; G698-T702 PolarHBondContact O-OG1 3.02Å
699	P	96.6	Very high	97.9	Very high	115 Å²	115	46.5 Å²	46.5	75%	0.747	25%	0.247	S	C	*	.	H	α-helix	trans	-61.7	-32.9	-164.6	22.9	-34.3	0	0	0	114.5	A703	P699-A703 WeakPolarHBondContact O-CB 3.48Å; P699-A703 PolarHBondContact O-N 2.94Å
700	E	97.1	Very high	97.9	Very high	157 Å²	157	48.6 Å²	48.6	73%	0.734	25%	0.254	S	S	*	.	H	α-helix	trans	-66.5	-49.1	178.7	-64.9	-179.2	179.5	0	0	111.4	G698 A703 L704	G698-E700 VanDerWaalsContact C-N 3.31Å; G698-E700 PolarHBondContact O-N 2.76Å; E700-A703 WeakPolarHBondContact O-CB 3.48Å; E700-A703 PolarHBondContact O-N 2.87Å; E700-L704 WeakPolarHBondContact O-CG 3.34Å; E700-L704 PolarHBondContact O-N 3.07Å
701	N	97.7	Very high	97.9	Very high	35 Å²	35	45.5 Å²	45.5	19%	0.187	23%	0.232	C	C	.	.	H	α-helix	trans	-71.5	-36.8	-179.9	-55.6	-63.1	0	0	0	111.7	T665 V669 F697 G698 A703 L704 I705	T665-N701 HydrophobicContact CG2-CB 3.78Å; T665-N701 WeakPolarHBondContact CG2-ND2 3.44Å; V669-N701 HydrophobicContact CG2-CB 4.06Å; F697-N701 HydrophobicContact CB-CB 4.06Å; F697-N701 WeakPolarHBondContact O-CB 3.36Å; F697-N701 PolarHBondContact O-ND2 3.22Å; G698-N701 PolarHBondContact O-N 3.01Å; N701-A703 VanDerWaalsContact C-N 3.25Å; N701-A703 PolarHBondContact O-N 2.82Å; N701-L704 PolarHBondContact O-N 2.89Å; N701-L704 VanDerWaalsContact O-N 3.15Å; N701-I705 WeakPolarHBondContact O-CG1 3.48Å; N701-I705 PolarHBondContact O-N 3.34Å
702	T	98.3	Very high	98	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-55.9	-42	170.8	-54.9	0	0	0	0	111.2	I430 P694 W695 G698 R706	I430-T702 HydrophobicContact CD1-CG2 4.12Å; P694-T702 PolarHBondContact O-OG1 2.8Å; W695-T702 WeakPolarHBondContact CA-OG1 3.23Å; W695-T702 HydrophobicContact CB-CG2 4.01Å; W695-T702 PolarHBondContact O-OG1 3.25Å; G698-T702 PolarHBondContact O-N 2.98Å; G698-T702 PolarHBondContact O-OG1 3.02Å; T702-R706 WeakPolarHBondContact O-CB 3.28Å; T702-R706 PolarHBondContact O-N 3.44Å
703	A	98.4	Very high	98	Very high	43 Å²	43	41.1 Å²	41.1	36%	0.355	22%	0.216	S	C	.	.	H	α-helix	trans	-66.3	-38.8	177.8	0	0	0	0	0	112.4	P699 E700 N701 E707	P699-A703 WeakPolarHBondContact O-CB 3.48Å; P699-A703 PolarHBondContact O-N 2.94Å; E700-A703 WeakPolarHBondContact O-CB 3.48Å; E700-A703 PolarHBondContact O-N 2.87Å; N701-A703 VanDerWaalsContact C-N 3.25Å; N701-A703 PolarHBondContact O-N 2.82Å; A703-E707 WeakPolarHBondContact O-CB 3.23Å; A703-E707 PolarHBondContact O-N 3.03Å
704	L	98.4	Very high	98	Very high	36 Å²	36	41.8 Å²	41.8	19%	0.188	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-45.7	176.9	-65.1	168.1	0	0	0	112.1	V669 E700 N701 E707 V708 M805 S806	V669-L704 HydrophobicContact CG1-CB 3.93Å; V669-L704 HydrophobicContact CG1-CD1 4.33Å; E700-L704 WeakPolarHBondContact O-CG 3.34Å; E700-L704 PolarHBondContact O-N 3.07Å; N701-L704 PolarHBondContact O-N 2.89Å; N701-L704 VanDerWaalsContact O-N 3.15Å; L704-E707 PolarHBondContact O-N 3.03Å; L704-V708 PolarHBondContact O-N 2.84Å; L704-M805 HydrophobicContact CD1-CB 4.12Å; L704-M805 HydrophobicContact CD1-CG 3.49Å; L704-M805 VanDerWaalsContact CD1-CG 3.49Å; L704-S806 VanDerWaalsContact CD2-CB 3.47Å
705	I	98.8	Very high	98.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-66.3	-43.4	177.1	-64	169.2	0	0	0	110.4	L668 V669 Y672 P694 N701 E707 V708 I709	L668-I705 HydrophobicContact CD2-CD1 4.33Å; L668-I705 HydrophobicContact CG-CD1 4.4Å; V669-I705 HydrophobicContact CG2-CD1 4.18Å; V669-I705 HydrophobicContact CG2-CG1 3.96Å; Y672-I705 HydrophobicContact CD1-CG2 3.67Å; Y672-I705 HydrophobicContact CD2-CB 4.31Å; Y672-I705 HydrophobicContact CD2-CD1 3.74Å; Y672-I705 HydrophobicContact CD2-CG1 3.74Å; Y672-I705 HydrophobicContact CD2-CG2 3.62Å; Y672-I705 HydrophobicContact CE1-CG2 3.88Å; Y672-I705 HydrophobicContact CE2-CD1 3.85Å; Y672-I705 HydrophobicContact CE2-CG1 4.28Å; Y672-I705 HydrophobicContact CE2-CG2 3.84Å; Y672-I705 HydrophobicContact CG-CB 4.42Å; Y672-I705 HydrophobicContact CG-CG1 4.2Å; Y672-I705 HydrophobicContact CG-CG2 3.55Å; P694-I705 HydrophobicContact CB-CB 4.35Å; P694-I705 HydrophobicContact CB-CD1 4.31Å; P694-I705 HydrophobicContact CB-CG2 3.58Å; N701-I705 WeakPolarHBondContact O-CG1 3.48Å; N701-I705 PolarHBondContact O-N 3.34Å; I705-E707 VanDerWaalsContact C-N 3.31Å; I705-E707 PolarHBondContact O-N 3.15Å; I705-V708 VanDerWaalsContact O-CG1 3.3Å; I705-V708 WeakPolarHBondContact O-CG1 3.45Å; I705-V708 PolarHBondContact O-N 2.88Å; I705-I709 HydrophobicContact CG2-CD1 3.63Å; I705-I709 HydrophobicContact CG2-CG1 4.28Å; I705-I709 VanDerWaalsContact O-CG1 3.29Å; I705-I709 WeakPolarHBondContact O-CG1 3.04Å; I705-I709 PolarHBondContact O-N 3.06Å
706	R	98.7	Very high	98.1	Very high	64 Å²	64	40 Å²	40	24%	0.242	21%	0.214	C	C	.	.	H	α-helix	trans	-54.2	-49.1	174.2	-179.9	-169.4	-57.2	125.5	1.8	111	H428 D429 I430 T702 V708 I709 R710	H428-R706 PolarHBondContact O-NE 2.9Å; H428-R706 PolarHBondContact O-NH2 3.25Å; D429-R706 WeakPolarHBondContact O-CD 3.18Å; D429-R706 VanDerWaalsContact O-CG 3.31Å; D429-R706 WeakPolarHBondContact O-CG 3.21Å; I430-R706 HydrophobicContact CD1-CB 4.46Å; I430-R706 HydrophobicContact CG1-CB 3.87Å; I430-R706 HydrophobicContact CG1-CG 3.96Å; T702-R706 WeakPolarHBondContact O-CB 3.28Å; T702-R706 PolarHBondContact O-N 3.44Å; R706-V708 PolarHBondContact O-N 3.11Å; R706-I709 PolarHBondContact O-N 2.69Å; R706-R710 HydrophobicContact CG-CG 4.18Å; R706-R710 WeakPolarHBondContact O-CB 3.41Å; R706-R710 WeakPolarHBondContact O-CG 3.37Å; R706-R710 PolarHBondContact O-N 3.17Å
707	E	98.1	Very high	98.1	Very high	119 Å²	119	36.4 Å²	36.4	56%	0.556	20%	0.195	S	C	*	.	H	α-helix	trans	-62.4	-45	-174.4	-175.6	57.2	-157.2	0	0	112	A703 L704 I705 R710 Q711	A703-E707 WeakPolarHBondContact O-CB 3.23Å; A703-E707 PolarHBondContact O-N 3.03Å; L704-E707 PolarHBondContact O-N 3.03Å; I705-E707 VanDerWaalsContact C-N 3.31Å; I705-E707 PolarHBondContact O-N 3.15Å; E707-R710 PolarHBondContact O-N 3.13Å; E707-Q711 WeakPolarHBondContact O-CB 3.31Å; E707-Q711 PolarHBondContact O-N 3.16Å
708	V	98.5	Very high	98.3	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-40.3	177.8	67.1	0	0	0	0	112.2	Q673 A676 L704 I705 R706 R710 Q711 R712 I808	Q673-V708 HydrophobicContact CG-CB 4.4Å; Q673-V708 HydrophobicContact CG-CG1 4.39Å; Q673-V708 HydrophobicContact CG-CG2 4.46Å; A676-V708 HydrophobicContact CB-CG2 3.28Å; L704-V708 PolarHBondContact O-N 2.84Å; I705-V708 VanDerWaalsContact O-CG1 3.3Å; I705-V708 WeakPolarHBondContact O-CG1 3.45Å; I705-V708 PolarHBondContact O-N 2.88Å; R706-V708 PolarHBondContact O-N 3.11Å; V708-R710 VanDerWaalsContact C-N 3.31Å; V708-R710 PolarHBondContact O-N 3.23Å; V708-Q711 WeakPolarHBondContact O-CA 3.28Å; V708-Q711 WeakPolarHBondContact O-CB 3.37Å; V708-Q711 PolarHBondContact O-N 3.16Å; V708-Q711 VanDerWaalsContact O-N 3.11Å; V708-R712 PolarHBondContact O-N 3.1Å; V708-I808 HydrophobicContact CB-CD1 3.92Å; V708-I808 HydrophobicContact CG2-CD1 3.49Å; V708-I808 VanDerWaalsContact CG2-CD1 3.49Å
709	I	98.9	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-47.2	175.7	-64.9	171.7	0	0	0	108.7	Y405 I430 P431 Y672 F681 I705 R706 Q711 R712 Y713	Y405-I709 HydrophobicContact CD1-CD1 4.18Å; Y405-I709 HydrophobicContact CD1-CG2 4.43Å; Y405-I709 HydrophobicContact CE1-CD1 4.26Å; Y405-I709 HydrophobicContact CG-CD1 4.46Å; Y405-I709 HydrophobicContact CG-CG2 4.33Å; I430-I709 HydrophobicContact CG2-CB 4.43Å; I430-I709 HydrophobicContact CG2-CD1 3.53Å; I430-I709 HydrophobicContact CG2-CG2 4.23Å; P431-I709 HydrophobicContact CG-CG2 3.82Å; P431-I709 VanDerWaalsContact O-CG2 3.27Å; P431-I709 WeakPolarHBondContact O-CG2 3.29Å; Y672-I709 HydrophobicContact CD1-CD1 3.97Å; Y672-I709 HydrophobicContact CD1-CG1 4.14Å; Y672-I709 HydrophobicContact CE1-CD1 3.91Å; F681-I709 HydrophobicContact CE1-CG1 4.12Å; F681-I709 HydrophobicContact CZ-CG1 4.02Å; I705-I709 HydrophobicContact CG2-CD1 3.63Å; I705-I709 HydrophobicContact CG2-CG1 4.28Å; I705-I709 VanDerWaalsContact O-CG1 3.29Å; I705-I709 WeakPolarHBondContact O-CG1 3.04Å; I705-I709 PolarHBondContact O-N 3.06Å; R706-I709 PolarHBondContact O-N 2.69Å; I709-Q711 VanDerWaalsContact C-N 3.27Å; I709-Q711 PolarHBondContact O-N 3.37Å; I709-R712 WeakPolarHBondContact O-CB 3.22Å; I709-R712 PolarHBondContact O-N 3.47Å; I709-R712 VanDerWaalsContact O-N 3.13Å; I709-Y713 HydrophobicContact CG2-CD2 4.11Å; I709-Y713 HydrophobicContact CG2-CE2 3.92Å; I709-Y713 VanDerWaalsContact O-CD2 3.27Å; I709-Y713 WeakPolarHBondContact O-CD2 3.34Å; I709-Y713 PolarHBondContact O-N 2.64Å; I709-Y713 VanDerWaalsContact O-N 3.12Å
710	R	98.8	Very high	98.6	Very high	54 Å²	54	28 Å²	28	20%	0.204	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-39.4	175.5	-68.4	172.7	74.2	86	-3.3	112.1	D429 P431 R706 E707 V708 Y713 T714 V824	D429-R710 IonicContact OD1-NH1 2.82Å; D429-R710 PolarHBondContact OD1-NH1 2.75Å; D429-R710 IonicContact OD2-CZ 3.19Å; D429-R710 IonicContact OD2-NH1 3.66Å; D429-R710 PolarHBondContact OD2-NH1 3.24Å; D429-R710 IonicContact OD2-NH2 3.16Å; P431-R710 HydrophobicContact CG-CG 4.19Å; R706-R710 HydrophobicContact CG-CG 4.18Å; R706-R710 WeakPolarHBondContact O-CB 3.41Å; R706-R710 WeakPolarHBondContact O-CG 3.37Å; R706-R710 PolarHBondContact O-N 3.17Å; E707-R710 PolarHBondContact O-N 3.13Å; V708-R710 VanDerWaalsContact C-N 3.31Å; V708-R710 PolarHBondContact O-N 3.23Å; R710-Y713 WeakPolarHBondContact O-CB 3.36Å; R710-Y713 PolarHBondContact O-N 2.61Å; R710-Y713 VanDerWaalsContact O-N 3.14Å; R710-T714 WeakPolarHBondContact O-CG2 3.4Å; R710-T714 PolarHBondContact O-N 2.65Å; R710-V824 HydrophobicContact CB-CG1 4.1Å; R710-V824 HydrophobicContact CB-CG2 4.26Å; R710-V824 HydrophobicContact CG-CG1 3.95Å
711	Q	98.5	Very high	98.6	Very high	17 Å²	17	21.2 Å²	21.2	8%	0.079	11%	0.106	C	C	.	.	H	α-helix	trans	-58.5	-47.6	174.9	-169.6	178.7	46	0	0	111.5	Y677 E707 V708 I709 Y713 T714 F715 H788	Y677-Q711 PolarHBondContact OH-NE2 2.77Å; Y677-Q711 PolarHBondContact OH-OE1 3.07Å; E707-Q711 WeakPolarHBondContact O-CB 3.31Å; E707-Q711 PolarHBondContact O-N 3.16Å; V708-Q711 WeakPolarHBondContact O-CA 3.28Å; V708-Q711 WeakPolarHBondContact O-CB 3.37Å; V708-Q711 PolarHBondContact O-N 3.16Å; V708-Q711 VanDerWaalsContact O-N 3.11Å; I709-Q711 VanDerWaalsContact C-N 3.27Å; I709-Q711 PolarHBondContact O-N 3.37Å; Q711-Y713 VanDerWaalsContact C-N 3.28Å; Q711-Y713 PolarHBondContact O-N 3.32Å; Q711-T714 PolarHBondContact O-N 2.62Å; Q711-T714 PolarHBondContact O-OG1 2.96Å; Q711-F715 HydrophobicContact CG-CD2 4.01Å; Q711-F715 HydrophobicContact CG-CE2 3.83Å; Q711-F715 WeakPolarHBondContact O-CD2 3.5Å; Q711-F715 PolarHBondContact O-N 3.2Å; Q711-H788 PolarHBondContact NE2-CE1 3.06Å; Q711-H788 PolarHBondContact NE2-NE2 3.26Å
712	R	98.9	Very high	98.7	Very high	3 Å²	3	20 Å²	20	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-52	-46.8	172	167.2	55.4	166.4	-107.1	3.7	111.5	L403 A676 Q678 P679 F681 V708 I709 T714 F715 L716	L403-R712 PolarHBondContact O-NE 3.46Å; L403-R712 PolarHBondContact O-NH2 2.97Å; A676-R712 HydrophobicContact CB-CB 4.13Å; A676-R712 WeakPolarHBondContact O-CD 3.34Å; A676-R712 PolarHBondContact O-NH1 3.3Å; Q678-R712 PolarHBondContact O-NH1 2.93Å; P679-R712 PolarHBondContact O-NH2 3Å; F681-R712 HydrophobicContact CD1-CG 4.06Å; F681-R712 HydrophobicContact CE1-CG 4.34Å; V708-R712 PolarHBondContact O-N 3.1Å; I709-R712 WeakPolarHBondContact O-CB 3.22Å; I709-R712 PolarHBondContact O-N 3.47Å; I709-R712 VanDerWaalsContact O-N 3.13Å; R712-T714 VanDerWaalsContact C-N 3.31Å; R712-T714 PolarHBondContact O-N 3.39Å; R712-F715 PolarHBondContact O-N 3.42Å; R712-L716 PolarHBondContact O-N 3.39Å
713	Y	98.9	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.7	-36.3	177.3	-83.1	-100.2	0	0	0	113.1	Y405 P431 Y432 D433 I709 R710 Q711 F715 L716 V824 M831	Y405-Y713 PolarHBondContact N-OH 3.43Å; Y405-Y713 VanDerWaalsContact N-OH 3.13Å; P431-Y713 HydrophobicContact CB-CD1 4.19Å; P431-Y713 HydrophobicContact CB-CD2 3.98Å; P431-Y713 HydrophobicContact CB-CE1 4.03Å; P431-Y713 HydrophobicContact CB-CE2 3.8Å; P431-Y713 HydrophobicContact CB-CG 4.17Å; P431-Y713 HydrophobicContact CG-CD1 4.42Å; P431-Y713 HydrophobicContact CG-CD2 3.49Å; P431-Y713 VanDerWaalsContact CG-CD2 3.49Å; P431-Y713 HydrophobicContact CG-CE2 3.66Å; P431-Y713 HydrophobicContact CG-CG 3.9Å; Y432-Y713 WeakPolarHBondContact CA-OH 3.43Å; Y432-Y713 PolarHBondContact N-OH 2.86Å; D433-Y713 PolarHBondContact N-OH 3.35Å; D433-Y713 WeakPolarHBondContact OD2-CE1 3.16Å; D433-Y713 VanDerWaalsContact OD2-CZ 3.22Å; D433-Y713 PolarHBondContact OD2-OH 2.78Å; I709-Y713 HydrophobicContact CG2-CD2 4.11Å; I709-Y713 HydrophobicContact CG2-CE2 3.92Å; I709-Y713 VanDerWaalsContact O-CD2 3.27Å; I709-Y713 WeakPolarHBondContact O-CD2 3.34Å; I709-Y713 PolarHBondContact O-N 2.64Å; I709-Y713 VanDerWaalsContact O-N 3.12Å; R710-Y713 WeakPolarHBondContact O-CB 3.36Å; R710-Y713 PolarHBondContact O-N 2.61Å; R710-Y713 VanDerWaalsContact O-N 3.14Å; Q711-Y713 VanDerWaalsContact C-N 3.28Å; Q711-Y713 PolarHBondContact O-N 3.32Å; Y713-F715 PolarHBondContact O-N 3.01Å; Y713-L716 HydrophobicContact CD1-CD1 3.62Å; Y713-L716 HydrophobicContact CE1-CD1 4.09Å; Y713-L716 HydrophobicContact CG-CD1 4.13Å; Y713-L716 PolarHBondContact O-N 2.96Å; Y713-V824 HydrophobicContact CG-CG1 4.41Å; Y713-M831 HydrophobicContact CD1-SD 3.71Å; Y713-M831 HydrophobicContact CG-SD 4.35Å; Y713-M831 WeakPolarHBondContact O-CE 3.38Å
714	T	98.8	Very high	98.7	Very high	18 Å²	18	18.4 Å²	18.4	11%	0.11	8%	0.083	C	C	.	.	H	α-helix	trans	-64	-30.8	175	72.1	0	0	0	0	113.2	R710 Q711 R712 R820 K821 L822 V824	R710-T714 WeakPolarHBondContact O-CG2 3.4Å; R710-T714 PolarHBondContact O-N 2.65Å; Q711-T714 PolarHBondContact O-N 2.62Å; Q711-T714 PolarHBondContact O-OG1 2.96Å; R712-T714 VanDerWaalsContact C-N 3.31Å; R712-T714 PolarHBondContact O-N 3.39Å; T714-R820 CarbonylContact O-C 3.53Å; T714-R820 WeakPolarHBondContact O-CA 3.28Å; T714-R820 VanDerWaalsContact O-CB 3.28Å; T714-R820 WeakPolarHBondContact O-CB 3.41Å; T714-K821 WeakPolarHBondContact CA-O 3.47Å; T714-K821 PolarHBondContact O-N 2.87Å; T714-L822 HydrophobicContact CG2-CD2 4Å; T714-V824 HydrophobicContact CG2-CG2 3.49Å; T714-V824 VanDerWaalsContact CG2-CG2 3.49Å
715	F	98.9	Very high	98.7	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-89.7	-2.3	-179.2	-79.1	-73.3	0	0	0	114.2	Y677 Q711 R712 Y713 P717 Y718 W719 L760 I787 I818 R820	Y677-F715 HydrophobicContact CE1-CE2 4.48Å; Q711-F715 HydrophobicContact CG-CD2 4.01Å; Q711-F715 HydrophobicContact CG-CE2 3.83Å; Q711-F715 WeakPolarHBondContact O-CD2 3.5Å; Q711-F715 PolarHBondContact O-N 3.2Å; R712-F715 PolarHBondContact O-N 3.42Å; Y713-F715 PolarHBondContact O-N 3.01Å; F715-P717 VanDerWaalsContact C-N 3.27Å; F715-P717 VanDerWaalsContact O-N 3.15Å; F715-Y718 WeakPolarHBondContact O-CA 3.48Å; F715-Y718 WeakPolarHBondContact O-CB 3.07Å; F715-Y718 PolarHBondContact O-N 3.15Å; F715-W719 PolarHBondContact O-N 3.26Å; F715-L760 HydrophobicContact CD1-CD1 3.96Å; F715-L760 HydrophobicContact CE1-CD1 3.51Å; F715-L760 HydrophobicContact CE1-CD2 4.39Å; F715-L760 HydrophobicContact CZ-CD1 4.09Å; F715-I787 HydrophobicContact CE2-CD1 4.09Å; F715-I787 HydrophobicContact CZ-CD1 3.93Å; F715-I818 HydrophobicContact CD1-CG2 4.23Å; F715-I818 HydrophobicContact CE1-CG2 4.11Å; F715-R820 HydrophobicContact CD1-CG 4.24Å; F715-R820 HydrophobicContact CE1-CG 4.35Å
716	L	98.9	Very high	98.7	Very high	6 Å²	6	19 Å²	19	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-49.6	-39.6	178.7	-76.3	173.5	0	0	0	114.2	L400 L403 R712 Y713 Y718 W719 Y720	L400-L716 HydrophobicContact CD1-CB 4.38Å; L403-L716 HydrophobicContact CB-CD2 3.81Å; L403-L716 VanDerWaalsContact O-CD2 3.3Å; L403-L716 WeakPolarHBondContact O-CD2 3.43Å; R712-L716 PolarHBondContact O-N 3.39Å; Y713-L716 HydrophobicContact CD1-CD1 3.62Å; Y713-L716 HydrophobicContact CE1-CD1 4.09Å; Y713-L716 HydrophobicContact CG-CD1 4.13Å; Y713-L716 PolarHBondContact O-N 2.96Å; L716-Y718 VanDerWaalsContact C-N 3.3Å; L716-Y718 PolarHBondContact O-N 3.38Å; L716-W719 PolarHBondContact O-N 3.29Å; L716-Y720 VanDerWaalsContact O-CB 3.24Å; L716-Y720 WeakPolarHBondContact O-CB 3.43Å; L716-Y720 PolarHBondContact O-N 2.88Å
717	P	98.9	Very high	98.7	Very high	9 Å²	9	18.7 Å²	18.7	6%	0.058	9%	0.086	C	C	.	.	H	α-helix	trans	-58.6	-38.8	173.8	-26.8	36.7	0	0	0	114.2	F715 Q721 P819 K821 Y836 L852	F715-P717 VanDerWaalsContact C-N 3.27Å; F715-P717 VanDerWaalsContact O-N 3.15Å; P717-Q721 WeakPolarHBondContact O-CB 3.4Å; P717-Q721 PolarHBondContact O-N 3.29Å; P717-Q721 VanDerWaalsContact O-N 3.1Å; P717-P819 HydrophobicContact CB-CB 4.43Å; P717-P819 HydrophobicContact CB-CG 4.3Å; P717-K821 HydrophobicContact CG-CB 4.37Å; P717-K821 HydrophobicContact CG-CD 4.29Å; P717-K821 HydrophobicContact CG-CG 3.92Å; P717-Y836 HydrophobicContact CB-CD1 4.29Å; P717-Y836 HydrophobicContact CB-CE1 3.78Å; P717-Y836 HydrophobicContact CG-CD1 4.11Å; P717-Y836 HydrophobicContact CG-CE1 3.67Å; P717-L852 HydrophobicContact CB-CD1 4.22Å
718	Y	98.9	Very high	98.6	Very high	7 Å²	7	17.6 Å²	17.6	3%	0.027	8%	0.081	C	C	.	.	H	α-helix	trans	-72.8	-46.3	178.3	-176.1	-115.9	0	0	0	110.9	F715 L716 Y720 Q721 L722 L756 D759 L760 I818	F715-Y718 WeakPolarHBondContact O-CA 3.48Å; F715-Y718 WeakPolarHBondContact O-CB 3.07Å; F715-Y718 PolarHBondContact O-N 3.15Å; L716-Y718 VanDerWaalsContact C-N 3.3Å; L716-Y718 PolarHBondContact O-N 3.38Å; Y718-Y720 VanDerWaalsContact C-N 3.28Å; Y718-Y720 PolarHBondContact O-N 2.74Å; Y718-Q721 WeakPolarHBondContact O-CB 3.39Å; Y718-Q721 PolarHBondContact O-N 3.03Å; Y718-L722 HydrophobicContact CD1-CD1 4.05Å; Y718-L722 HydrophobicContact CD1-CG 4.45Å; Y718-L722 HydrophobicContact CE1-CD1 3.57Å; Y718-L722 HydrophobicContact CE1-CD2 4.46Å; Y718-L722 HydrophobicContact CE1-CG 4.13Å; Y718-L722 HydrophobicContact CE2-CD2 4.1Å; Y718-L722 HydrophobicContact CE2-CG 4.31Å; Y718-L722 WeakPolarHBondContact O-CG 3.23Å; Y718-L722 PolarHBondContact O-N 2.92Å; Y718-L756 HydrophobicContact CE1-CB 4.12Å; Y718-L756 PolarHBondContact OH-O 2.61Å; Y718-D759 HydrophobicContact CE2-CB 4.45Å; Y718-D759 WeakPolarHBondContact OH-CB 3.16Å; Y718-D759 PolarHBondContact OH-OD2 3.41Å; Y718-L760 HydrophobicContact CD1-CD1 3.74Å; Y718-L760 HydrophobicContact CE1-CB 4.49Å; Y718-L760 HydrophobicContact CE1-CD1 3.62Å; Y718-L760 HydrophobicContact CE1-CG 4.01Å; Y718-I818 HydrophobicContact CD2-CG1 4.36Å; Y718-I818 HydrophobicContact CD2-CG2 4.05Å; Y718-I818 HydrophobicContact CE2-CG1 4.32Å; Y718-I818 HydrophobicContact CG-CG2 3.95Å
719	W	98.9	Very high	98.6	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-53.5	-46.9	173.1	-80.1	110	0	0	0	112.1	L403 Y677 P679 F715 L716 L722 F723 V733 L756	L403-W719 HydrophobicContact CD1-CB 4.19Å; Y677-W719 WeakPolarHBondContact O-CH2 3.16Å; P679-W719 HydrophobicContact CB-CZ3 4.15Å; P679-W719 HydrophobicContact CG-CH2 4.46Å; P679-W719 HydrophobicContact CG-CZ3 4.11Å; F715-W719 PolarHBondContact O-N 3.26Å; L716-W719 PolarHBondContact O-N 3.29Å; W719-L722 PolarHBondContact O-N 2.91Å; W719-L722 VanDerWaalsContact O-N 3.16Å; W719-F723 HydrophobicContact CE3-CE2 4.24Å; W719-F723 WeakPolarHBondContact O-CD2 3.05Å; W719-F723 PolarHBondContact O-N 3.34Å; W719-V733 HydrophobicContact CE3-CG1 3.77Å; W719-V733 HydrophobicContact CZ3-CG1 3.49Å; W719-V733 VanDerWaalsContact CZ3-CG1 3.49Å; W719-L756 HydrophobicContact CH2-CD1 3.6Å; W719-L756 HydrophobicContact CH2-CD2 3.34Å; W719-L756 HydrophobicContact CH2-CG 4.09Å; W719-L756 HydrophobicContact CZ2-CD1 3.31Å; W719-L756 HydrophobicContact CZ2-CD2 4.01Å; W719-L756 HydrophobicContact CZ2-CG 4.29Å; W719-L756 HydrophobicContact CZ3-CD1 4.42Å; W719-L756 HydrophobicContact CZ3-CD2 3.86Å
720	Y	98.9	Very high	98.5	Very high	7 Å²	7	19.7 Å²	19.7	3%	0.027	10%	0.095	C	C	.	.	H	α-helix	trans	-65.9	-40.4	-178.4	-163.1	-128.2	0	0	0	112.5	F397 L400 L403 R604 L716 Y718 L722 F723 Y724 Y853 D855 G857	F397-Y720 HydrophobicContact CE1-CE1 4.47Å; F397-Y720 HydrophobicContact CE1-CE2 4.12Å; F397-Y720 AromaticContact CE1-CZ 3.77Å; F397-Y720 WeakPolarHBondContact CE1-OH 3.47Å; F397-Y720 AromaticContact CE2-CD2 3.98Å; F397-Y720 HydrophobicContact CE2-CD2 3.98Å; F397-Y720 AromaticContact CE2-CE2 3.66Å; F397-Y720 HydrophobicContact CE2-CE2 3.66Å; F397-Y720 HydrophobicContact CZ-CD1 4.34Å; F397-Y720 AromaticContact CZ-CD2 3.99Å; F397-Y720 HydrophobicContact CZ-CD2 3.99Å; F397-Y720 AromaticContact CZ-CE1 3.81Å; F397-Y720 HydrophobicContact CZ-CE1 3.81Å; F397-Y720 AromaticContact CZ-CE2 3.38Å; F397-Y720 HydrophobicContact CZ-CE2 3.38Å; F397-Y720 HydrophobicContact CZ-CG 4.42Å; F397-Y720 AromaticContact CZ-CZ 3.27Å; F397-Y720 WeakPolarHBondContact CZ-OH 3.06Å; L400-Y720 HydrophobicContact CB-CD2 4.26Å; L400-Y720 HydrophobicContact CB-CE2 4.02Å; L400-Y720 HydrophobicContact CD1-CD1 4.29Å; L400-Y720 HydrophobicContact CD1-CD2 3.82Å; L400-Y720 HydrophobicContact CD1-CE2 4.42Å; L400-Y720 HydrophobicContact CD1-CG 3.76Å; L403-Y720 HydrophobicContact CD1-CD2 3.85Å; R604-Y720 PolarHBondContact NH2-OH 2.75Å; L716-Y720 VanDerWaalsContact O-CB 3.24Å; L716-Y720 WeakPolarHBondContact O-CB 3.43Å; L716-Y720 PolarHBondContact O-N 2.88Å; Y718-Y720 VanDerWaalsContact C-N 3.28Å; Y718-Y720 PolarHBondContact O-N 2.74Å; Y720-L722 VanDerWaalsContact C-N 3.35Å; Y720-L722 PolarHBondContact O-N 3.12Å; Y720-F723 PolarHBondContact O-N 3.22Å; Y720-Y724 PolarHBondContact O-N 2.69Å; Y720-Y853 AromaticContact CD1-CD1 3.72Å; Y720-Y853 HydrophobicContact CD1-CD1 3.72Å; Y720-Y853 HydrophobicContact CD1-CE1 4.21Å; Y720-Y853 AromaticContact CE1-CD1 3.52Å; Y720-Y853 HydrophobicContact CE1-CD1 3.52Å; Y720-Y853 AromaticContact CE1-CE1 3.53Å; Y720-Y853 HydrophobicContact CE1-CE1 3.53Å; Y720-D855 WeakPolarHBondContact CE1-OD1 3.48Å; Y720-D855 VanDerWaalsContact CZ-OD1 3.28Å; Y720-D855 PolarHBondContact OH-OD1 3.01Å; Y720-D855 PolarHBondContact OH-OD2 3.49Å; Y720-G857 WeakPolarHBondContact OH-CA 3.36Å
721	Q	98.6	Very high	98.5	Very high	14 Å²	14	17.9 Å²	17.9	7%	0.065	9%	0.089	C	C	.	.	H	α-helix	trans	-59.8	-41.8	170.2	173.1	66.6	48	0	0	112.2	P717 Y718 F723 Y724 L725 E851 L852	P717-Q721 WeakPolarHBondContact O-CB 3.4Å; P717-Q721 PolarHBondContact O-N 3.29Å; P717-Q721 VanDerWaalsContact O-N 3.1Å; Y718-Q721 WeakPolarHBondContact O-CB 3.39Å; Y718-Q721 PolarHBondContact O-N 3.03Å; Q721-F723 VanDerWaalsContact C-N 3.35Å; Q721-Y724 WeakPolarHBondContact O-CB 3.31Å; Q721-Y724 PolarHBondContact O-N 3.44Å; Q721-L725 PolarHBondContact O-N 3.04Å; Q721-E851 HydrophobicContact CG-CB 4.25Å; Q721-E851 PolarHBondContact NE2-OE2 3.26Å; Q721-L852 VanDerWaalsContact OE1-C 3.31Å
722	L	98.9	Very high	98.5	Very high	10 Å²	10	17.1 Å²	17.1	5%	0.052	9%	0.085	C	C	.	.	H	α-helix	trans	-66	-38.2	177.7	-65.9	-177.3	0	0	0	112	Y718 W719 Y720 L725 A726 V733 L756	Y718-L722 HydrophobicContact CD1-CD1 4.05Å; Y718-L722 HydrophobicContact CD1-CG 4.45Å; Y718-L722 HydrophobicContact CE1-CD1 3.57Å; Y718-L722 HydrophobicContact CE1-CD2 4.46Å; Y718-L722 HydrophobicContact CE1-CG 4.13Å; Y718-L722 HydrophobicContact CE2-CD2 4.1Å; Y718-L722 HydrophobicContact CE2-CG 4.31Å; Y718-L722 WeakPolarHBondContact O-CG 3.23Å; Y718-L722 PolarHBondContact O-N 2.92Å; W719-L722 PolarHBondContact O-N 2.91Å; W719-L722 VanDerWaalsContact O-N 3.16Å; Y720-L722 VanDerWaalsContact C-N 3.35Å; Y720-L722 PolarHBondContact O-N 3.12Å; L722-L725 WeakPolarHBondContact O-CB 3.26Å; L722-L725 PolarHBondContact O-N 2.84Å; L722-A726 PolarHBondContact O-N 3Å; L722-V733 HydrophobicContact CB-CG1 3.93Å; L722-V733 HydrophobicContact CB-CG2 4.27Å; L722-V733 HydrophobicContact CD1-CG1 4.01Å; L722-L756 HydrophobicContact CD1-CB 4.03Å
723	F	98.9	Very high	98.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69	-33.8	174.4	-89.7	-78.1	0	0	0	112.8	Q395 F397 P398 L403 F651 P679 W719 Y720 Q721 L725 A726 Y727 V733	Q395-F723 HydrophobicContact CG-CD1 3.98Å; Q395-F723 HydrophobicContact CG-CE1 3.98Å; F397-F723 HydrophobicContact CD2-CB 4.29Å; F397-F723 HydrophobicContact CE2-CB 4.22Å; P398-F723 HydrophobicContact CG-CB 3.91Å; P398-F723 HydrophobicContact CG-CD1 3.64Å; P398-F723 HydrophobicContact CG-CD2 4.29Å; P398-F723 HydrophobicContact CG-CE1 4.2Å; P398-F723 HydrophobicContact CG-CG 3.68Å; L403-F723 HydrophobicContact CD1-CD2 3.77Å; L403-F723 HydrophobicContact CD1-CE2 4.34Å; L403-F723 HydrophobicContact CD1-CG 4.44Å; L403-F723 HydrophobicContact CD2-CD2 3.58Å; L403-F723 HydrophobicContact CD2-CE2 3.34Å; L403-F723 HydrophobicContact CD2-CG 4.33Å; L403-F723 HydrophobicContact CD2-CZ 3.91Å; L403-F723 HydrophobicContact CG-CD2 4.34Å; L403-F723 HydrophobicContact CG-CE2 4.48Å; F651-F723 HydrophobicContact CB-CE1 3.78Å; F651-F723 HydrophobicContact CB-CZ 4.04Å; F651-F723 HydrophobicContact CD1-CE1 4.24Å; F651-F723 AromaticContact CD1-CZ 3.74Å; F651-F723 HydrophobicContact CD1-CZ 3.74Å; F651-F723 HydrophobicContact CD2-CE1 4.41Å; F651-F723 HydrophobicContact CE1-CZ 4.38Å; F651-F723 AromaticContact CG-CE1 3.91Å; F651-F723 HydrophobicContact CG-CE1 3.91Å; F651-F723 AromaticContact CG-CZ 3.9Å; F651-F723 HydrophobicContact CG-CZ 3.9Å; P679-F723 HydrophobicContact CB-CE2 4.27Å; P679-F723 HydrophobicContact CB-CZ 3.89Å; W719-F723 HydrophobicContact CE3-CE2 4.24Å; W719-F723 WeakPolarHBondContact O-CD2 3.05Å; W719-F723 PolarHBondContact O-N 3.34Å; Y720-F723 PolarHBondContact O-N 3.22Å; Q721-F723 VanDerWaalsContact C-N 3.35Å; F723-L725 VanDerWaalsContact C-N 3.33Å; F723-A726 PolarHBondContact O-N 3.48Å; F723-Y727 WeakPolarHBondContact O-CB 3.38Å; F723-Y727 PolarHBondContact O-N 3.01Å; F723-V733 HydrophobicContact CD1-CG2 4.09Å; F723-V733 HydrophobicContact CD2-CG1 4.49Å; F723-V733 HydrophobicContact CD2-CG2 4.16Å; F723-V733 HydrophobicContact CE1-CG2 4.13Å; F723-V733 HydrophobicContact CE2-CG1 4.2Å; F723-V733 HydrophobicContact CE2-CG2 4.19Å; F723-V733 HydrophobicContact CG-CG2 4.12Å; F723-V733 HydrophobicContact CZ-CG2 4.2Å
724	Y	98.4	Very high	98.5	Very high	15 Å²	15	17.2 Å²	17.2	6%	0.059	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-41.7	170.6	179.9	-101.4	0	0	0	111.3	F397 Y720 Q721 Y727 H728 Y853 H869	F397-Y724 HydrophobicContact CE1-CD2 4.26Å; F397-Y724 HydrophobicContact CE2-CD2 4.45Å; F397-Y724 HydrophobicContact CZ-CD2 4.12Å; Y720-Y724 PolarHBondContact O-N 2.69Å; Q721-Y724 WeakPolarHBondContact O-CB 3.31Å; Q721-Y724 PolarHBondContact O-N 3.44Å; Y724-Y727 PolarHBondContact O-N 3.23Å; Y724-H728 AromaticContact CD1-ND1 3.88Å; Y724-H728 AromaticContact CD2-CE1 3.59Å; Y724-H728 AromaticContact CD2-ND1 3.7Å; Y724-H728 AromaticContact CE1-CE1 3.81Å; Y724-H728 AromaticContact CE1-ND1 3.66Å; Y724-H728 AromaticContact CE2-CE1 2.99Å; Y724-H728 WeakPolarHBondContact CE2-CE1 3.49Å; Y724-H728 AromaticContact CE2-ND1 3.5Å; Y724-H728 AromaticContact CE2-NE2 3.99Å; Y724-H728 AromaticContact CG-ND1 3.9Å; Y724-H728 AromaticContact CZ-CE1 3.12Å; Y724-H728 AromaticContact CZ-ND1 3.48Å; Y724-H728 AromaticContact CZ-NE2 3.82Å; Y724-H728 PolarHBondContact O-N 3.27Å; Y724-H728 PolarHBondContact O-ND1 3.48Å; Y724-H728 PolarHBondContact OH-CE1 2.9Å; Y724-Y853 AromaticContact CD1-CD2 3.87Å; Y724-Y853 HydrophobicContact CD1-CD2 3.87Å; Y724-Y853 HydrophobicContact CD1-CE2 4.44Å; Y724-Y853 HydrophobicContact CD1-CG 4.31Å; Y724-Y853 HydrophobicContact CD2-CD1 4.32Å; Y724-Y853 AromaticContact CD2-CD2 3.46Å; Y724-Y853 HydrophobicContact CD2-CD2 3.46Å; Y724-Y853 VanDerWaalsContact CD2-CD2 3.46Å; Y724-Y853 HydrophobicContact CD2-CE1 4.18Å; Y724-Y853 AromaticContact CD2-CE2 3.26Å; Y724-Y853 HydrophobicContact CD2-CE2 3.26Å; Y724-Y853 AromaticContact CD2-CG 3.98Å; Y724-Y853 HydrophobicContact CD2-CG 3.98Å; Y724-Y853 AromaticContact CD2-CZ 3.64Å; Y724-Y853 AromaticContact CE1-CD2 3.91Å; Y724-Y853 HydrophobicContact CE1-CD2 3.91Å; Y724-Y853 HydrophobicContact CE1-CE2 4.31Å; Y724-Y853 AromaticContact CE2-CD2 3.47Å; Y724-Y853 HydrophobicContact CE2-CD2 3.47Å; Y724-Y853 VanDerWaalsContact CE2-CD2 3.47Å; Y724-Y853 AromaticContact CE2-CE2 3.05Å; Y724-Y853 HydrophobicContact CE2-CE2 3.05Å; Y724-Y853 HydrophobicContact CE2-CG 4.43Å; Y724-Y853 AromaticContact CE2-CZ 3.75Å; Y724-Y853 HydrophobicContact CG-CD1 4.45Å; Y724-Y853 AromaticContact CG-CD2 3.64Å; Y724-Y853 HydrophobicContact CG-CD2 3.64Å; Y724-Y853 AromaticContact CG-CE2 3.97Å; Y724-Y853 HydrophobicContact CG-CE2 3.97Å; Y724-Y853 AromaticContact CG-CG 3.9Å; Y724-Y853 HydrophobicContact CG-CG 3.9Å; Y724-Y853 AromaticContact CZ-CD2 3.71Å; Y724-Y853 AromaticContact CZ-CE2 3.64Å; Y724-H869 AromaticContact CE1-CE1 3.71Å; Y724-H869 AromaticContact CE1-ND1 3.79Å
725	L	98	Very high	98.4	Very high	50 Å²	50	16.6 Å²	16.6	26%	0.262	8%	0.082	S	C	.	.	H	α-helix	trans	-63	-46.4	173.9	-179.3	66.8	0	0	0	111.6	Q721 L722 F723 Y727 H728 T729	Q721-L725 PolarHBondContact O-N 3.04Å; L722-L725 WeakPolarHBondContact O-CB 3.26Å; L722-L725 PolarHBondContact O-N 2.84Å; F723-L725 VanDerWaalsContact C-N 3.33Å; L725-Y727 VanDerWaalsContact C-N 3.32Å; L725-Y727 PolarHBondContact O-N 3.19Å; L725-H728 PolarHBondContact O-N 3.08Å; L725-H728 VanDerWaalsContact O-N 3.14Å; L725-T729 HydrophobicContact CD1-CG2 3.59Å; L725-T729 HydrophobicContact CG-CG2 4.46Å; L725-T729 WeakPolarHBondContact O-CB 3.33Å; L725-T729 PolarHBondContact O-N 2.9Å; L725-T729 PolarHBondContact O-OG1 3.11Å
726	A	98.6	Very high	98.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-60.8	-40.6	178	0	0	0	0	0	112	T394 Q395 L722 F723 H728 G730 E731 V733	T394-A726 WeakPolarHBondContact CB-O 3.31Å; Q395-A726 HydrophobicContact CB-CB 4.25Å; L722-A726 PolarHBondContact O-N 3Å; F723-A726 PolarHBondContact O-N 3.48Å; A726-H728 VanDerWaalsContact C-N 3.34Å; A726-H728 PolarHBondContact O-N 2.86Å; A726-G730 WeakPolarHBondContact O-CA 3.33Å; A726-G730 PolarHBondContact O-N 2.9Å; A726-E731 WeakPolarHBondContact CA-O 3.36Å; A726-E731 WeakPolarHBondContact CB-O 3.44Å; A726-V733 HydrophobicContact CB-CG2 3.85Å
727	Y	98.3	Very high	98.4	Very high	56 Å²	56	16.2 Å²	16.2	22%	0.22	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-36.4	173.9	169.1	-99.3	0	0	0	112.8	T394 Q395 F397 F723 Y724 L725 Y862	T394-Y727 WeakPolarHBondContact CB-O 3.37Å; T394-Y727 WeakPolarHBondContact CG2-O 3.32Å; T394-Y727 PolarHBondContact OG1-O 3.29Å; Q395-Y727 WeakPolarHBondContact O-CA 3.06Å; Q395-Y727 WeakPolarHBondContact O-CB 3.26Å; Q395-Y727 WeakPolarHBondContact O-CD2 3.23Å; F397-Y727 HydrophobicContact CB-CD1 4.4Å; F397-Y727 HydrophobicContact CB-CD2 3.91Å; F397-Y727 HydrophobicContact CB-CE2 4.47Å; F397-Y727 HydrophobicContact CB-CG 3.86Å; F723-Y727 WeakPolarHBondContact O-CB 3.38Å; F723-Y727 PolarHBondContact O-N 3.01Å; Y724-Y727 PolarHBondContact O-N 3.23Å; L725-Y727 VanDerWaalsContact C-N 3.32Å; L725-Y727 PolarHBondContact O-N 3.19Å; Y727-Y862 HydrophobicContact CD1-CE2 4.39Å; Y727-Y862 AromaticContact CE1-CE2 3.62Å; Y727-Y862 HydrophobicContact CE1-CE2 3.62Å; Y727-Y862 AromaticContact CZ-CE2 3.7Å; Y727-Y862 PolarHBondContact OH-OH 3.44Å
728	H	96.7	Very high	98.4	Very high	97 Å²	97	15.8 Å²	15.8	45%	0.449	8%	0.077	S	C	.	.	H	α-helix	trans	-84	-33.9	-179.5	-79.5	82.7	0	0	0	114.6	Y724 L725 A726	Y724-H728 AromaticContact CD1-ND1 3.88Å; Y724-H728 AromaticContact CD2-CE1 3.59Å; Y724-H728 AromaticContact CD2-ND1 3.7Å; Y724-H728 AromaticContact CE1-CE1 3.81Å; Y724-H728 AromaticContact CE1-ND1 3.66Å; Y724-H728 AromaticContact CE2-CE1 2.99Å; Y724-H728 WeakPolarHBondContact CE2-CE1 3.49Å; Y724-H728 AromaticContact CE2-ND1 3.5Å; Y724-H728 AromaticContact CE2-NE2 3.99Å; Y724-H728 AromaticContact CG-ND1 3.9Å; Y724-H728 AromaticContact CZ-CE1 3.12Å; Y724-H728 AromaticContact CZ-ND1 3.48Å; Y724-H728 AromaticContact CZ-NE2 3.82Å; Y724-H728 PolarHBondContact O-N 3.27Å; Y724-H728 PolarHBondContact O-ND1 3.48Å; Y724-H728 PolarHBondContact OH-CE1 2.9Å; L725-H728 PolarHBondContact O-N 3.08Å; L725-H728 VanDerWaalsContact O-N 3.14Å; A726-H728 VanDerWaalsContact C-N 3.34Å; A726-H728 PolarHBondContact O-N 2.86Å
729	T	97.3	Very high	98.4	Very high	38 Å²	38	15.7 Å²	15.7	23%	0.233	8%	0.077	C	C	.	.	H	α-helix	trans	-118.1	-20.4	-165.5	63.3	0	0	0	0	114.1	S386 L725 E731	S386-T729 PolarHBondContact OG-O 2.86Å; L725-T729 HydrophobicContact CD1-CG2 3.59Å; L725-T729 HydrophobicContact CG-CG2 4.46Å; L725-T729 WeakPolarHBondContact O-CB 3.33Å; L725-T729 PolarHBondContact O-N 2.9Å; L725-T729 PolarHBondContact O-OG1 3.11Å; T729-E731 PolarHBondContact O-N 2.75Å; T729-E731 WeakPolarHBondContact OG1-CB 3.5Å; T729-E731 WeakPolarHBondContact OG1-CG 3.31Å; T729-E731 PolarHBondContact OG1-N 2.75Å; T729-E731 VanDerWaalsContact OG1-N 3.17Å
730	G	97.8	Very high	98.4	Very high	9 Å²	9	16.8 Å²	16.8	9%	0.093	8%	0.083	C	C	.	.			trans	75.8	2	-168.8	0	0	0	0	0	114.2	A726	A726-G730 WeakPolarHBondContact O-CA 3.33Å; A726-G730 PolarHBondContact O-N 2.9Å
731	E	97.7	Very high	98.3	Very high	16 Å²	16	17.3 Å²	17.3	8%	0.075	9%	0.085	C	C	.	.			trans	-66.9	140.1	176.4	-69	-173	-163.4	0	0	111.4	R382 A726 T729 R735	R382-E731 VanDerWaalsContact CD-OE1 3.31Å; R382-E731 WeakPolarHBondContact CD-OE1 3.48Å; R382-E731 HydrophobicContact CG-CG 4.47Å; R382-E731 IonicContact CZ-OE1 2.76Å; R382-E731 IonicContact CZ-OE2 3.34Å; R382-E731 IonicContact NE-OE1 3.38Å; R382-E731 IonicContact NH1-OE1 2.97Å; R382-E731 PolarHBondContact NH1-OE1 3.45Å; R382-E731 VanDerWaalsContact NH1-OE1 3.16Å; R382-E731 IonicContact NH1-OE2 3.5Å; A726-E731 WeakPolarHBondContact CA-O 3.36Å; A726-E731 WeakPolarHBondContact CB-O 3.44Å; T729-E731 PolarHBondContact O-N 2.75Å; T729-E731 WeakPolarHBondContact OG1-CB 3.5Å; T729-E731 WeakPolarHBondContact OG1-CG 3.31Å; T729-E731 PolarHBondContact OG1-N 2.75Å; T729-E731 VanDerWaalsContact OG1-N 3.17Å; E731-R735 IonicContact OE2-CZ 3.28Å; E731-R735 IonicContact OE2-NH1 3.14Å; E731-R735 PolarHBondContact OE2-NH1 2.93Å; E731-R735 IonicContact OE2-NH2 2.78Å; E731-R735 PolarHBondContact OE2-NH2 3.13Å
732	P	98.5	Very high	98.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.			trans	-63.1	144.5	179.4	19.4	-27.9	0	0	0	113	F385 S650 R735	F385-P732 HydrophobicContact CD2-CG 4.38Å; F385-P732 HydrophobicContact CE1-CG 4.49Å; F385-P732 HydrophobicContact CE2-CG 3.87Å; F385-P732 HydrophobicContact CZ-CG 3.95Å; S650-P732 WeakPolarHBondContact OG-CA 3.31Å; P732-R735 HydrophobicContact CB-CG 4.34Å; P732-R735 HydrophobicContact CG-CG 4.08Å; P732-R735 WeakPolarHBondContact O-CG 3.43Å; P732-R735 PolarHBondContact O-NE 3.35Å; P732-R735 PolarHBondContact O-NH2 2.75Å
733	V	98.8	Very high	98.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.128	C	C	.	.	S	Bend	trans	-72.3	-51.5	172.2	173.6	0	0	0	0	110.9	S650 P679 W719 L722 F723 A726 G757	S650-V733 PolarHBondContact OG-N 3.35Å; P679-V733 HydrophobicContact CG-CG1 4.46Å; W719-V733 HydrophobicContact CE3-CG1 3.77Å; W719-V733 HydrophobicContact CZ3-CG1 3.49Å; W719-V733 VanDerWaalsContact CZ3-CG1 3.49Å; L722-V733 HydrophobicContact CB-CG1 3.93Å; L722-V733 HydrophobicContact CB-CG2 4.27Å; L722-V733 HydrophobicContact CD1-CG1 4.01Å; F723-V733 HydrophobicContact CD1-CG2 4.09Å; F723-V733 HydrophobicContact CD2-CG1 4.49Å; F723-V733 HydrophobicContact CD2-CG2 4.16Å; F723-V733 HydrophobicContact CE1-CG2 4.13Å; F723-V733 HydrophobicContact CE2-CG1 4.2Å; F723-V733 HydrophobicContact CE2-CG2 4.19Å; F723-V733 HydrophobicContact CG-CG2 4.12Å; F723-V733 HydrophobicContact CZ-CG2 4.2Å; A726-V733 HydrophobicContact CB-CG2 3.85Å; V733-G757 PolarHBondContact O-N 3.41Å
734	M	98.9	Very high	98.1	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.1	175.5	-171.8	-171.8	171.6	0	0	108.4	I638 C641 L642 Q678 P679 F754 L755 L756	I638-M734 HydrophobicContact CG2-CE 3.94Å; C641-M734 HydrophobicContact CB-CE 4.36Å; C641-M734 HydrophobicContact CB-SD 3.77Å; L642-M734 HydrophobicContact CD2-CB 4.5Å; L642-M734 HydrophobicContact CD2-CE 3.96Å; L642-M734 HydrophobicContact CD2-CG 3.75Å; L642-M734 HydrophobicContact CD2-SD 4.22Å; L642-M734 HydrophobicContact CG-CE 4.08Å; Q678-M734 HydrophobicContact CG-CE 4.42Å; Q678-M734 HydrophobicContact CG-SD 4.37Å; P679-M734 HydrophobicContact CG-CB 3.92Å; M734-F754 HydrophobicContact CE-CB 4.12Å; M734-F754 HydrophobicContact CE-CD1 3.43Å; M734-F754 VanDerWaalsContact CE-CD1 3.43Å; M734-F754 HydrophobicContact CE-CD2 3.62Å; M734-F754 HydrophobicContact CE-CE1 3.58Å; M734-F754 HydrophobicContact CE-CE2 3.76Å; M734-F754 HydrophobicContact CE-CG 3.44Å; M734-F754 VanDerWaalsContact CE-CG 3.44Å; M734-F754 HydrophobicContact CE-CZ 3.74Å; M734-F754 HydrophobicContact CG-CB 4.36Å; M734-F754 HydrophobicContact CG-CD2 3.59Å; M734-F754 HydrophobicContact CG-CE2 4.07Å; M734-F754 HydrophobicContact CG-CG 4.09Å; M734-F754 HydrophobicContact SD-CD2 4.32Å; M734-F754 HydrophobicContact SD-CE2 4.4Å; M734-L755 CarbonylContact C-O 3.33Å; M734-L755 WeakPolarHBondContact CA-O 3.44Å; M734-L756 HydrophobicContact CB-CD2 4.17Å; M734-L756 HydrophobicContact CG-CD2 4.18Å
735	R	98.6	Very high	98	Very high	5 Å²	5	31 Å²	31	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.8	-166.9	-43.9	-171.8	179	-171.4	-11.5	111.5	E731 P732 V739 E740 F754 L755 G757	E731-R735 IonicContact OE2-CZ 3.28Å; E731-R735 IonicContact OE2-NH1 3.14Å; E731-R735 PolarHBondContact OE2-NH1 2.93Å; E731-R735 IonicContact OE2-NH2 2.78Å; E731-R735 PolarHBondContact OE2-NH2 3.13Å; P732-R735 HydrophobicContact CB-CG 4.34Å; P732-R735 HydrophobicContact CG-CG 4.08Å; P732-R735 WeakPolarHBondContact O-CG 3.43Å; P732-R735 PolarHBondContact O-NE 3.35Å; P732-R735 PolarHBondContact O-NH2 2.75Å; R735-V739 HydrophobicContact CB-CB 4.3Å; R735-V739 HydrophobicContact CB-CG1 4.48Å; R735-E740 IonicContact CZ-OE1 3.73Å; R735-E740 IonicContact NH1-OE1 2.84Å; R735-E740 PolarHBondContact NH1-OE1 3.39Å; R735-F754 WeakPolarHBondContact O-CA 3.17Å; R735-F754 WeakPolarHBondContact O-CB 3.42Å; R735-L755 HydrophobicContact CB-CB 4.32Å; R735-L755 PolarHBondContact N-O 2.9Å; R735-L755 PolarHBondContact O-N 2.79Å; R735-G757 VanDerWaalsContact CD-O 3.29Å; R735-G757 WeakPolarHBondContact CD-O 3.39Å
736	P	98.8	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.			trans	-60.7	148.8	160.5	-19.4	32.7	0	0	0	110	L275 L642 L646 W738 V739	L275-P736 HydrophobicContact CD2-CB 3.72Å; L275-P736 HydrophobicContact CD2-CG 3.56Å; L642-P736 HydrophobicContact CB-CG 4.18Å; L642-P736 HydrophobicContact CD1-CG 4.33Å; L642-P736 HydrophobicContact CD2-CG 4.11Å; L642-P736 HydrophobicContact CG-CG 4.44Å; L646-P736 HydrophobicContact CD1-CG 4.15Å; L646-P736 HydrophobicContact CD2-CG 4.08Å; L646-P736 HydrophobicContact CG-CG 4.16Å; P736-W738 VanDerWaalsContact CB-CD1 3.44Å; P736-W738 HydrophobicContact CB-CG 4.28Å; P736-W738 PolarHBondContact O-N 3.21Å; P736-V739 HydrophobicContact CG-CG2 4.44Å; P736-V739 WeakPolarHBondContact O-CB 3.11Å; P736-V739 PolarHBondContact O-N 2.8Å; P736-V739 VanDerWaalsContact O-N 3.09Å
737	L	98.8	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-36.4	-177.8	-88.1	59.7	0	0	0	112.5	V739 E740 Y741 T747 L750 E753 L755 L761 Y776 P778	L737-V739 PolarHBondContact O-N 2.93Å; L737-E740 PolarHBondContact O-N 2.99Å; L737-Y741 HydrophobicContact CB-CD2 4.48Å; L737-Y741 VanDerWaalsContact O-CD2 3.3Å; L737-Y741 WeakPolarHBondContact O-CD2 3.39Å; L737-Y741 PolarHBondContact O-N 2.8Å; L737-T747 HydrophobicContact CB-CG2 3.9Å; L737-T747 HydrophobicContact CD2-CG2 4.47Å; L737-L750 HydrophobicContact CD2-CD1 4.16Å; L737-E753 HydrophobicContact CD1-CG 4Å; L737-E753 HydrophobicContact CD2-CG 4.07Å; L737-L755 HydrophobicContact CD1-CG 4.19Å; L737-L755 HydrophobicContact CG-CG 4.48Å; L737-L761 HydrophobicContact CD2-CD1 4.2Å; L737-Y776 HydrophobicContact CD2-CD1 4.32Å; L737-P778 HydrophobicContact CD2-CG 3.98Å; L737-P778 HydrophobicContact CG-CG 4.37Å
738	W	98.6	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-21.1	-179.2	71.3	-103.3	0	0	0	113.7	Y266 L312 H314 T319 P381 L646 P736 Y741 P742 T747 F748	Y266-W738 AromaticContact CD2-CZ2 3.88Å; Y266-W738 HydrophobicContact CD2-CZ2 3.88Å; Y266-W738 AromaticContact CE1-NE1 3.64Å; Y266-W738 AromaticContact CE2-CE2 3.95Å; Y266-W738 AromaticContact CE2-CZ2 3.97Å; Y266-W738 HydrophobicContact CE2-CZ2 3.97Å; Y266-W738 HydrophobicContact CG-CZ2 4.25Å; Y266-W738 AromaticContact CZ-CE2 3.97Å; Y266-W738 AromaticContact CZ-NE1 3.6Å; L312-W738 HydrophobicContact CD2-CH2 4.09Å; H314-W738 HydrophobicContact CB-CE3 4.48Å; H314-W738 HydrophobicContact CB-CZ3 4.35Å; H314-W738 AromaticContact CD2-CE3 3.59Å; H314-W738 AromaticContact CE1-CE3 3.85Å; H314-W738 AromaticContact CG-CE3 3.74Å; H314-W738 AromaticContact CG-CZ3 3.92Å; H314-W738 AromaticContact ND1-CE3 3.88Å; H314-W738 AromaticContact ND1-CZ3 3.93Å; H314-W738 AromaticContact NE2-CE3 3.66Å; T319-W738 HydrophobicContact CG2-CH2 4.4Å; T319-W738 HydrophobicContact CG2-CZ3 4.19Å; P381-W738 HydrophobicContact CB-CZ3 3.94Å; P381-W738 HydrophobicContact CG-CE3 4.25Å; P381-W738 HydrophobicContact CG-CZ3 3.82Å; L646-W738 HydrophobicContact CD1-CZ2 3.79Å; L646-W738 HydrophobicContact CD2-CH2 3.96Å; L646-W738 HydrophobicContact CD2-CZ2 3.49Å; L646-W738 VanDerWaalsContact CD2-CZ2 3.49Å; L646-W738 HydrophobicContact CG-CZ2 4.3Å; P736-W738 VanDerWaalsContact CB-CD1 3.44Å; P736-W738 HydrophobicContact CB-CG 4.28Å; P736-W738 PolarHBondContact O-N 3.21Å; W738-Y741 CarbonylContact O-C 3.6Å; W738-Y741 VanDerWaalsContact O-C 3.31Å; W738-P742 WeakPolarHBondContact O-CA 3.48Å; W738-T747 VanDerWaalsContact CA-OG1 3.23Å; W738-T747 WeakPolarHBondContact CA-OG1 2.97Å; W738-T747 WeakPolarHBondContact CB-OG1 3.22Å; W738-F748 HydrophobicContact CB-CD1 3.67Å; W738-F748 HydrophobicContact CB-CE1 4.19Å
739	V	98.5	Very high	97.8	Very high	4 Å²	4	27 Å²	27	2%	0.024	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-41.5	175.7	172.1	0	0	0	0	111.6	P381 F385 L646 R735 P736 L737	P381-V739 HydrophobicContact CB-CG1 4.3Å; F385-V739 HydrophobicContact CE2-CG1 3.74Å; F385-V739 HydrophobicContact CE2-CG2 4.35Å; F385-V739 HydrophobicContact CZ-CG1 4.24Å; F385-V739 HydrophobicContact CZ-CG2 4.01Å; L646-V739 HydrophobicContact CD2-CG2 3.83Å; R735-V739 HydrophobicContact CB-CB 4.3Å; R735-V739 HydrophobicContact CB-CG1 4.48Å; P736-V739 HydrophobicContact CG-CG2 4.44Å; P736-V739 WeakPolarHBondContact O-CB 3.11Å; P736-V739 PolarHBondContact O-N 2.8Å; P736-V739 VanDerWaalsContact O-N 3.09Å; L737-V739 PolarHBondContact O-N 2.93Å
740	E	98	Very high	97.8	Very high	26 Å²	26	27.2 Å²	27.2	12%	0.121	16%	0.162	C	C	.	.	H	α-helix	trans	-90.9	-20.4	176.8	-65.2	-56.4	136.1	0	0	112.7	R382 R735 L737 P742 L755 R758	R382-E740 IonicContact NH2-OE1 3.71Å; R382-E740 IonicContact NH2-OE2 2.64Å; R382-E740 PolarHBondContact NH2-OE2 3.08Å; R382-E740 VanDerWaalsContact NH2-OE2 3.09Å; R735-E740 IonicContact CZ-OE1 3.73Å; R735-E740 IonicContact NH1-OE1 2.84Å; R735-E740 PolarHBondContact NH1-OE1 3.39Å; L737-E740 PolarHBondContact O-N 2.99Å; E740-P742 WeakPolarHBondContact O-CD 3.25Å; E740-L755 HydrophobicContact CB-CD1 3.74Å; E740-L755 HydrophobicContact CG-CD1 3.57Å; E740-R758 HydrophobicContact CG-CB 4.26Å
741	Y	98.1	Very high	97.8	Very high	18 Å²	18	28.3 Å²	28.3	7%	0.071	17%	0.165	C	C	.	.			trans	-120.9	58.6	178.5	-56.1	-79	0	0	0	112	L737 W738 Q743 D744 L755 P778 E782 W784 R813	L737-Y741 HydrophobicContact CB-CD2 4.48Å; L737-Y741 VanDerWaalsContact O-CD2 3.3Å; L737-Y741 WeakPolarHBondContact O-CD2 3.39Å; L737-Y741 PolarHBondContact O-N 2.8Å; W738-Y741 CarbonylContact O-C 3.6Å; W738-Y741 VanDerWaalsContact O-C 3.31Å; Y741-Q743 PolarHBondContact O-N 3.33Å; Y741-D744 PolarHBondContact O-N 2.96Å; Y741-L755 HydrophobicContact CE2-CD1 4.09Å; Y741-P778 HydrophobicContact CD1-CB 3.93Å; Y741-P778 HydrophobicContact CD1-CG 4.44Å; Y741-P778 HydrophobicContact CD2-CB 3.54Å; Y741-P778 HydrophobicContact CD2-CG 3.46Å; Y741-P778 VanDerWaalsContact CD2-CG 3.46Å; Y741-P778 HydrophobicContact CE1-CB 3.96Å; Y741-P778 HydrophobicContact CE1-CG 4.12Å; Y741-P778 HydrophobicContact CE2-CB 3.62Å; Y741-P778 HydrophobicContact CE2-CG 3.09Å; Y741-P778 HydrophobicContact CG-CB 3.73Å; Y741-P778 HydrophobicContact CG-CG 4.16Å; Y741-P778 VanDerWaalsContact CZ-CG 3.47Å; Y741-E782 PolarHBondContact OH-OE2 2.76Å; Y741-W784 VanDerWaalsContact OH-CZ2 3.28Å; Y741-W784 WeakPolarHBondContact OH-CZ2 3.15Å; Y741-R813 VanDerWaalsContact OH-CZ 3.23Å; Y741-R813 PolarHBondContact OH-NE 3.06Å; Y741-R813 PolarHBondContact OH-NH2 3.27Å
742	P	97.7	Very high	97.8	Very high	40 Å²	40	30 Å²	30	26%	0.26	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.9	-171.5	28	-37.1	0	0	0	114.1	H314 A316 P381 W738 E740 F748	H314-P742 PolarHBondContact CE1-O 3.47Å; H314-P742 PolarHBondContact NE2-O 3.25Å; A316-P742 WeakPolarHBondContact CA-O 3.5Å; P381-P742 HydrophobicContact CG-CB 4.03Å; W738-P742 WeakPolarHBondContact O-CA 3.48Å; E740-P742 WeakPolarHBondContact O-CD 3.25Å; P742-F748 WeakPolarHBondContact O-CZ 3.38Å
743	Q	97.1	Very high	97.8	Very high	163 Å²	163	30.1 Å²	30.1	76%	0.762	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	4.6	178.1	-63.4	-177.6	-8.1	0	0	112.8	Y741 P745	Y741-Q743 PolarHBondContact O-N 3.33Å; Q743-P745 VanDerWaalsContact O-CD 3.31Å; Q743-P745 WeakPolarHBondContact O-CD 3.49Å
744	D	97.1	Very high	97.8	Very high	37 Å²	37	30.1 Å²	30.1	20%	0.198	18%	0.175	C	C	.	.			trans	-108.8	95	-179.5	-171.7	-2.5	0	0	0	111.1	Y741 A746 T747 F748 Y776	Y741-D744 PolarHBondContact O-N 2.96Å; D744-A746 PolarHBondContact O-N 3.1Å; D744-A746 WeakPolarHBondContact OD1-CB 3.39Å; D744-A746 PolarHBondContact OD1-N 2.73Å; D744-T747 HydrophobicContact CB-CG2 4.13Å; D744-T747 PolarHBondContact O-N 3.37Å; D744-T747 PolarHBondContact O-OG1 3.21Å; D744-F748 WeakPolarHBondContact O-CD1 3.48Å; D744-F748 VanDerWaalsContact O-CE1 3.28Å; D744-F748 WeakPolarHBondContact O-CE1 3.47Å; D744-Y776 WeakPolarHBondContact OD2-CE1 3.44Å; D744-Y776 PolarHBondContact OD2-OH 2.75Å
745	P	95.6	Very high	97.8	Very high	85 Å²	85	29.9 Å²	29.9	55%	0.552	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-59.2	-20.9	-177.1	-24.5	34.9	0	0	0	114.3	Q743 T747 F748	Q743-P745 VanDerWaalsContact O-CD 3.31Å; Q743-P745 WeakPolarHBondContact O-CD 3.49Å; P745-T747 PolarHBondContact O-N 3.02Å; P745-F748 HydrophobicContact CB-CD2 4.28Å; P745-F748 HydrophobicContact CB-CE2 4.15Å; P745-F748 HydrophobicContact CB-CZ 4.47Å; P745-F748 HydrophobicContact CG-CE2 4.34Å; P745-F748 HydrophobicContact CG-CZ 4.42Å; P745-F748 PolarHBondContact O-N 3.05Å
746	A	95.7	Very high	97.8	Very high	55 Å²	55	29.7 Å²	29.7	46%	0.455	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-61.3	-22.8	175.7	0	0	0	0	0	112.4	D744 L750 Y776	D744-A746 PolarHBondContact O-N 3.1Å; D744-A746 WeakPolarHBondContact OD1-CB 3.39Å; D744-A746 PolarHBondContact OD1-N 2.73Å; A746-L750 WeakPolarHBondContact O-CG 3.41Å; A746-Y776 HydrophobicContact CB-CE1 4.17Å
747	T	98.1	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-90.4	-13.2	-177.1	67.3	0	0	0	0	114.3	L737 W738 D744 P745 A749 L750 Y776 P778	L737-T747 HydrophobicContact CB-CG2 3.9Å; L737-T747 HydrophobicContact CD2-CG2 4.47Å; W738-T747 VanDerWaalsContact CA-OG1 3.23Å; W738-T747 WeakPolarHBondContact CA-OG1 2.97Å; W738-T747 WeakPolarHBondContact CB-OG1 3.22Å; D744-T747 HydrophobicContact CB-CG2 4.13Å; D744-T747 PolarHBondContact O-N 3.37Å; D744-T747 PolarHBondContact O-OG1 3.21Å; P745-T747 PolarHBondContact O-N 3.02Å; T747-A749 VanDerWaalsContact C-N 3.29Å; T747-A749 PolarHBondContact O-N 3.15Å; T747-L750 PolarHBondContact O-N 3.03Å; T747-Y776 HydrophobicContact CG2-CD1 4.08Å; T747-Y776 HydrophobicContact CG2-CE1 3.69Å; T747-P778 HydrophobicContact CG2-CB 4.44Å
748	F	98.2	Very high	97.7	Very high	8 Å²	8	34 Å²	34	4%	0.035	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.7	-166.2	-64.8	-0.2	0	0	0	113.1	H264 Y266 H314 A316 W738 P742 D744 P745	H264-F748 AromaticContact ND1-CD2 3.84Å; Y266-F748 WeakPolarHBondContact CE1-O 3.47Å; Y266-F748 PolarHBondContact OH-O 3.42Å; H314-F748 AromaticContact CD2-CD1 3.69Å; H314-F748 AromaticContact CD2-CE1 3.57Å; H314-F748 AromaticContact CD2-CE2 3.96Å; H314-F748 AromaticContact CD2-CG 3.97Å; H314-F748 AromaticContact CD2-CZ 3.7Å; H314-F748 AromaticContact NE2-CD1 3.65Å; H314-F748 AromaticContact NE2-CE1 3.07Å; H314-F748 WeakPolarHBondContact NE2-CE1 3.37Å; H314-F748 AromaticContact NE2-CZ 3.28Å; H314-F748 VanDerWaalsContact NE2-CZ 3.28Å; H314-F748 WeakPolarHBondContact NE2-CZ 3.43Å; A316-F748 HydrophobicContact CB-CZ 4.31Å; W738-F748 HydrophobicContact CB-CD1 3.67Å; W738-F748 HydrophobicContact CB-CE1 4.19Å; P742-F748 WeakPolarHBondContact O-CZ 3.38Å; D744-F748 WeakPolarHBondContact O-CD1 3.48Å; D744-F748 VanDerWaalsContact O-CE1 3.28Å; D744-F748 WeakPolarHBondContact O-CE1 3.47Å; P745-F748 HydrophobicContact CB-CD2 4.28Å; P745-F748 HydrophobicContact CB-CE2 4.15Å; P745-F748 HydrophobicContact CB-CZ 4.47Å; P745-F748 HydrophobicContact CG-CE2 4.34Å; P745-F748 HydrophobicContact CG-CZ 4.42Å; P745-F748 PolarHBondContact O-N 3.05Å
749	A	96.3	Very high	97.7	Very high	59 Å²	59	34.6 Å²	34.6	49%	0.488	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	1.7	179	0	0	0	0	0	113.6	K276 T747	K276-A749 HydrophobicContact CD-CB 4.49Å; T747-A749 VanDerWaalsContact C-N 3.29Å; T747-A749 PolarHBondContact O-N 3.15Å
750	L	97.9	Very high	97.7	Very high	41 Å²	41	34.5 Å²	34.5	22%	0.215	19%	0.193	C	C	.	.			trans	-75.7	130.1	179.5	-65	176.7	0	0	0	110.5	L737 A746 T747 E753 Y776	L737-L750 HydrophobicContact CD2-CD1 4.16Å; A746-L750 WeakPolarHBondContact O-CG 3.41Å; T747-L750 PolarHBondContact O-N 3.03Å; L750-E753 WeakPolarHBondContact CD1-OE1 3.49Å; L750-Y776 HydrophobicContact CD1-CD1 3.91Å; L750-Y776 HydrophobicContact CD1-CG 4.35Å
751	D	97.6	Very high	97.7	Very high	32 Å²	32	33.2 Å²	33.2	17%	0.171	19%	0.187	C	C	.	.			trans	-145.7	10.7	-179.4	67	0.4	0	0	0	114.8	L275 I638 P639	L275-D751 HydrophobicContact CB-CB 3.53Å; L275-D751 HydrophobicContact CD2-CB 4.19Å; L275-D751 PolarHBondContact N-OD2 3.17Å; I638-D751 WeakPolarHBondContact CG2-O 3.46Å; P639-D751 HydrophobicContact CB-CB 4.08Å
752	D	97.7	Very high	97.8	Very high	53 Å²	53	32.4 Å²	32.4	28%	0.283	18%	0.184	S	C	.	.	S	Bend	trans	-106.3	-4	173.6	61.5	-14.2	0	0	0	113.1	H763	D752-H763 PolarHBondContact O-ND1 3.02Å; D752-H763 IonicContact OD2-CE1 3.25Å; D752-H763 PolarHBondContact OD2-CE1 2.61Å
753	E	97.8	Very high	97.8	Very high	2 Å²	2	31 Å²	31	1%	0.009	17%	0.173	C	C	.	.			trans	-136	154.2	169.1	64.6	-173.3	174.3	0	0	111.3	L737 L750 V762 H763 A775 Y776	L737-E753 HydrophobicContact CD1-CG 4Å; L737-E753 HydrophobicContact CD2-CG 4.07Å; L750-E753 WeakPolarHBondContact CD1-OE1 3.49Å; E753-V762 WeakPolarHBondContact CA-O 3.31Å; E753-V762 WeakPolarHBondContact CB-O 3.29Å; E753-H763 HydrophobicContact CB-CB 3.86Å; E753-A775 WeakPolarHBondContact OE2-CA 3.32Å; E753-A775 WeakPolarHBondContact OE2-CB 3.42Å; E753-Y776 WeakPolarHBondContact OE1-CA 3.34Å; E753-Y776 WeakPolarHBondContact OE1-CB 3.39Å; E753-Y776 PolarHBondContact OE1-N 2.67Å; E753-Y776 PolarHBondContact OE2-N 2.66Å; E753-Y776 VanDerWaalsContact OE2-N 3.14Å
754	F	98.9	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	164.6	-172.8	56.7	-88.7	0	0	0	111.8	I638 L642 Y677 M734 R735 L756 L761 V762 P764	I638-F754 HydrophobicContact CD1-CE1 4.3Å; I638-F754 HydrophobicContact CG1-CE1 4.31Å; I638-F754 HydrophobicContact CG2-CD1 3.68Å; I638-F754 HydrophobicContact CG2-CE1 4.19Å; L642-F754 HydrophobicContact CD1-CB 4.31Å; L642-F754 HydrophobicContact CD2-CB 3.92Å; Y677-F754 WeakPolarHBondContact O-CE2 3.47Å; M734-F754 HydrophobicContact CE-CB 4.12Å; M734-F754 HydrophobicContact CE-CD1 3.43Å; M734-F754 VanDerWaalsContact CE-CD1 3.43Å; M734-F754 HydrophobicContact CE-CD2 3.62Å; M734-F754 HydrophobicContact CE-CE1 3.58Å; M734-F754 HydrophobicContact CE-CE2 3.76Å; M734-F754 HydrophobicContact CE-CG 3.44Å; M734-F754 VanDerWaalsContact CE-CG 3.44Å; M734-F754 HydrophobicContact CE-CZ 3.74Å; M734-F754 HydrophobicContact CG-CB 4.36Å; M734-F754 HydrophobicContact CG-CD2 3.59Å; M734-F754 HydrophobicContact CG-CE2 4.07Å; M734-F754 HydrophobicContact CG-CG 4.09Å; M734-F754 HydrophobicContact SD-CD2 4.32Å; M734-F754 HydrophobicContact SD-CE2 4.4Å; R735-F754 WeakPolarHBondContact O-CA 3.17Å; R735-F754 WeakPolarHBondContact O-CB 3.42Å; F754-L756 HydrophobicContact CD2-CD2 4.17Å; F754-L756 HydrophobicContact CD2-CG 4.48Å; F754-L756 HydrophobicContact CE2-CD2 3.97Å; F754-L756 HydrophobicContact CE2-CG 4.23Å; F754-L761 WeakPolarHBondContact O-CA 3.35Å; F754-V762 HydrophobicContact CD2-CB 4.12Å; F754-V762 HydrophobicContact CD2-CG2 4.4Å; F754-V762 HydrophobicContact CE1-CB 4.14Å; F754-V762 HydrophobicContact CE1-CG1 4.11Å; F754-V762 HydrophobicContact CE2-CB 3.66Å; F754-V762 HydrophobicContact CE2-CG1 4.06Å; F754-V762 HydrophobicContact CE2-CG2 3.88Å; F754-V762 HydrophobicContact CZ-CB 3.68Å; F754-V762 HydrophobicContact CZ-CG1 3.61Å; F754-V762 HydrophobicContact CZ-CG2 4.3Å; F754-V762 PolarHBondContact N-O 3.13Å; F754-V762 PolarHBondContact O-N 3.05Å; F754-P764 HydrophobicContact CE1-CG 3.85Å; F754-P764 HydrophobicContact CZ-CG 4.31Å
755	L	98.9	Very high	97.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	144	170.6	-63.2	166	0	0	0	110.7	M734 R735 L737 E740 Y741 G757 L760 L761 W784	M734-L755 CarbonylContact C-O 3.33Å; M734-L755 WeakPolarHBondContact CA-O 3.44Å; R735-L755 HydrophobicContact CB-CB 4.32Å; R735-L755 PolarHBondContact N-O 2.9Å; R735-L755 PolarHBondContact O-N 2.79Å; L737-L755 HydrophobicContact CD1-CG 4.19Å; L737-L755 HydrophobicContact CG-CG 4.48Å; E740-L755 HydrophobicContact CB-CD1 3.74Å; E740-L755 HydrophobicContact CG-CD1 3.57Å; Y741-L755 HydrophobicContact CE2-CD1 4.09Å; L755-G757 VanDerWaalsContact CB-O 3.32Å; L755-G757 WeakPolarHBondContact CB-O 3.48Å; L755-L760 CarbonylContact C-O 3.45Å; L755-L760 WeakPolarHBondContact CA-O 3.25Å; L755-L761 HydrophobicContact CD2-CB 3.76Å; L755-L761 HydrophobicContact CD2-CD1 4.48Å; L755-L761 HydrophobicContact CD2-CG 4.35Å; L755-W784 HydrophobicContact CD2-CH2 3.73Å; L755-W784 HydrophobicContact CD2-CZ3 4.28Å
756	L	98.9	Very high	98.1	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.6	159.2	-62.3	-179.3	0	0	0	108.3	Y677 Y718 W719 L722 M734 F754 R758 L760 V762	Y677-L756 HydrophobicContact CD1-CD1 3.79Å; Y718-L756 HydrophobicContact CE1-CB 4.12Å; Y718-L756 PolarHBondContact OH-O 2.61Å; W719-L756 HydrophobicContact CH2-CD1 3.6Å; W719-L756 HydrophobicContact CH2-CD2 3.34Å; W719-L756 HydrophobicContact CH2-CG 4.09Å; W719-L756 HydrophobicContact CZ2-CD1 3.31Å; W719-L756 HydrophobicContact CZ2-CD2 4.01Å; W719-L756 HydrophobicContact CZ2-CG 4.29Å; W719-L756 HydrophobicContact CZ3-CD1 4.42Å; W719-L756 HydrophobicContact CZ3-CD2 3.86Å; L722-L756 HydrophobicContact CD1-CB 4.03Å; M734-L756 HydrophobicContact CB-CD2 4.17Å; M734-L756 HydrophobicContact CG-CD2 4.18Å; F754-L756 HydrophobicContact CD2-CD2 4.17Å; F754-L756 HydrophobicContact CD2-CG 4.48Å; F754-L756 HydrophobicContact CE2-CD2 3.97Å; F754-L756 HydrophobicContact CE2-CG 4.23Å; L756-R758 PolarHBondContact O-N 3.18Å; L756-L760 HydrophobicContact CB-CB 4.26Å; L756-L760 PolarHBondContact N-O 2.78Å; L756-V762 HydrophobicContact CD1-CG2 4.4Å; L756-V762 HydrophobicContact CG-CG2 4.37Å
757	G	98.1	Very high	98.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.01	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-135	-164.8	0	0	0	0	0	110.2	V733 R735 L755	V733-G757 PolarHBondContact O-N 3.41Å; R735-G757 VanDerWaalsContact CD-O 3.29Å; R735-G757 WeakPolarHBondContact CD-O 3.39Å; L755-G757 VanDerWaalsContact CB-O 3.32Å; L755-G757 WeakPolarHBondContact CB-O 3.48Å
758	R	97.2	Very high	98.1	Very high	88 Å²	88	25.4 Å²	25.4	33%	0.332	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-8.9	177	78.4	-172.4	-176.1	175.4	-1.8	113.9	E740 L756 R813 E849	E740-R758 HydrophobicContact CG-CB 4.26Å; L756-R758 PolarHBondContact O-N 3.18Å; R758-R813 VanDerWaalsContact O-CD 3.22Å; R758-R813 WeakPolarHBondContact O-CD 3.47Å; R758-R813 PolarHBondContact O-NH1 2.97Å; R758-E849 PolarHBondContact NH2-O 2.9Å
759	D	98.3	Very high	98.1	Very high	14 Å²	14	26.8 Å²	26.8	8%	0.075	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-19.6	-158.1	-56.6	-53.7	0	0	0	115.1	Y718 Q812 R813 S816 I818	Y718-D759 HydrophobicContact CE2-CB 4.45Å; Y718-D759 WeakPolarHBondContact OH-CB 3.16Å; Y718-D759 PolarHBondContact OH-OD2 3.41Å; D759-Q812 CarbonylContact O-C 3.56Å; D759-Q812 WeakPolarHBondContact O-CA 3.39Å; D759-R813 PolarHBondContact O-N 2.67Å; D759-S816 VanDerWaalsContact CG-CB 3.48Å; D759-S816 WeakPolarHBondContact OD1-CB 3.45Å; D759-I818 HydrophobicContact CB-CD1 4Å; D759-I818 HydrophobicContact CB-CG1 4.34Å
760	L	98.7	Very high	98.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118	179.6	-69.8	176.7	0	0	0	111	F715 Y718 L755 L756 I787 V810 F811 Q812 I818	F715-L760 HydrophobicContact CD1-CD1 3.96Å; F715-L760 HydrophobicContact CE1-CD1 3.51Å; F715-L760 HydrophobicContact CE1-CD2 4.39Å; F715-L760 HydrophobicContact CZ-CD1 4.09Å; Y718-L760 HydrophobicContact CD1-CD1 3.74Å; Y718-L760 HydrophobicContact CE1-CB 4.49Å; Y718-L760 HydrophobicContact CE1-CD1 3.62Å; Y718-L760 HydrophobicContact CE1-CG 4.01Å; L755-L760 CarbonylContact C-O 3.45Å; L755-L760 WeakPolarHBondContact CA-O 3.25Å; L756-L760 HydrophobicContact CB-CB 4.26Å; L756-L760 PolarHBondContact N-O 2.78Å; L760-I787 HydrophobicContact CD2-CG2 4.23Å; L760-V810 HydrophobicContact CD2-CG1 4.43Å; L760-F811 CarbonylContact C-O 3.31Å; L760-F811 WeakPolarHBondContact CA-O 3.25Å; L760-Q812 HydrophobicContact CD2-CB 4.01Å; L760-Q812 HydrophobicContact CD2-CG 4.38Å; L760-I818 HydrophobicContact CD1-CD1 4.04Å; L760-I818 HydrophobicContact CD2-CD1 3.43Å; L760-I818 VanDerWaalsContact CD2-CD1 3.43Å; L760-I818 HydrophobicContact CG-CD1 3.51Å
761	L	98.9	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.7	169.3	-175.5	153.3	0	0	0	109.7	L737 F754 L755 L777 P778 W784 V810 F811	L737-L761 HydrophobicContact CD2-CD1 4.2Å; F754-L761 WeakPolarHBondContact O-CA 3.35Å; L755-L761 HydrophobicContact CD2-CB 3.76Å; L755-L761 HydrophobicContact CD2-CD1 4.48Å; L755-L761 HydrophobicContact CD2-CG 4.35Å; L761-L777 HydrophobicContact CD1-CD2 4.15Å; L761-L777 HydrophobicContact CD2-CD2 4.22Å; L761-P778 HydrophobicContact CD1-CG 4.42Å; L761-W784 HydrophobicContact CB-CE3 4.05Å; L761-W784 HydrophobicContact CB-CH2 3.94Å; L761-W784 HydrophobicContact CB-CZ3 3.52Å; L761-W784 HydrophobicContact CD1-CH2 4.27Å; L761-W784 HydrophobicContact CD1-CZ2 4.37Å; L761-W784 HydrophobicContact CD1-CZ3 4.47Å; L761-V810 CarbonylContact O-C 3.56Å; L761-V810 VanDerWaalsContact O-CA 3.27Å; L761-V810 WeakPolarHBondContact O-CA 3.5Å; L761-F811 HydrophobicContact CB-CB 4.39Å; L761-F811 HydrophobicContact CD2-CD2 3.89Å; L761-F811 PolarHBondContact N-O 2.9Å; L761-F811 PolarHBondContact O-N 3.2Å
762	V	98.8	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.5	-178.1	-173.3	0	0	0	0	108.4	Y677 E753 F754 L756 P764 V810	Y677-V762 HydrophobicContact CD1-CG1 4.18Å; Y677-V762 HydrophobicContact CD1-CG2 3.58Å; Y677-V762 HydrophobicContact CD2-CG1 4.36Å; Y677-V762 HydrophobicContact CE1-CG2 4.2Å; Y677-V762 HydrophobicContact CG-CG1 3.87Å; Y677-V762 HydrophobicContact CG-CG2 4.1Å; E753-V762 WeakPolarHBondContact CA-O 3.31Å; E753-V762 WeakPolarHBondContact CB-O 3.29Å; F754-V762 HydrophobicContact CD2-CB 4.12Å; F754-V762 HydrophobicContact CD2-CG2 4.4Å; F754-V762 HydrophobicContact CE1-CB 4.14Å; F754-V762 HydrophobicContact CE1-CG1 4.11Å; F754-V762 HydrophobicContact CE2-CB 3.66Å; F754-V762 HydrophobicContact CE2-CG1 4.06Å; F754-V762 HydrophobicContact CE2-CG2 3.88Å; F754-V762 HydrophobicContact CZ-CB 3.68Å; F754-V762 HydrophobicContact CZ-CG1 3.61Å; F754-V762 HydrophobicContact CZ-CG2 4.3Å; F754-V762 PolarHBondContact N-O 3.13Å; F754-V762 PolarHBondContact O-N 3.05Å; L756-V762 HydrophobicContact CD1-CG2 4.4Å; L756-V762 HydrophobicContact CG-CG2 4.37Å; V762-P764 HydrophobicContact CG1-CG 3.91Å; V762-V810 HydrophobicContact CG1-CG2 4.17Å; V762-V810 HydrophobicContact CG2-CG1 4.27Å; V762-V810 HydrophobicContact CG2-CG2 4.42Å
763	H	98.6	Very high	98.1	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.046	15%	0.149	C	C	.	.			trans	-129.1	85.6	172.4	-174.4	50.3	0	0	0	109.3	D752 E753 V773 T774 A775 P809	D752-H763 PolarHBondContact O-ND1 3.02Å; D752-H763 IonicContact OD2-CE1 3.25Å; D752-H763 PolarHBondContact OD2-CE1 2.61Å; E753-H763 HydrophobicContact CB-CB 3.86Å; H763-V773 VanDerWaalsContact CD2-CG2 3.49Å; H763-V773 WeakPolarHBondContact CD2-CG2 3.37Å; H763-T774 PolarHBondContact NE2-O 3.32Å; H763-A775 HydrophobicContact CB-CB 4.05Å; H763-P809 HydrophobicContact CB-CB 4.37Å; H763-P809 PolarHBondContact N-O 3.37Å; H763-P809 WeakPolarHBondContact O-CB 3.13Å; H763-P809 WeakPolarHBondContact O-CD 3.39Å; H763-P809 VanDerWaalsContact O-CG 3.31Å; H763-P809 WeakPolarHBondContact O-CG 3.24Å
764	P	98.1	Very high	98.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.013	17%	0.17	C	C	.	.			trans	-63.8	153.9	-176.5	-17.5	31.1	0	0	0	112.4	I638 T674 F754 V762 T766	I638-P764 HydrophobicContact CD1-CG 4.12Å; T674-P764 HydrophobicContact CG2-CB 4.15Å; T674-P764 HydrophobicContact CG2-CG 4.06Å; T674-P764 WeakPolarHBondContact OG1-CB 3.45Å; F754-P764 HydrophobicContact CE1-CG 3.85Å; F754-P764 HydrophobicContact CZ-CG 4.31Å; V762-P764 HydrophobicContact CG1-CG 3.91Å; P764-T766 HydrophobicContact CB-CG2 4.25Å; P764-T766 PolarHBondContact O-N 3.4Å
765	V	98.6	Very high	98	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.17	C	C	.	.			trans	-84.3	109.4	173.4	-176.4	0	0	0	0	109	A770 V773 V803	V765-A770 HydrophobicContact CG1-CB 3.65Å; V765-V773 HydrophobicContact CG1-CG1 4.47Å; V765-V773 HydrophobicContact CG2-CG1 4.02Å; V765-V803 HydrophobicContact CG1-CG2 4.38Å; V765-V803 HydrophobicContact CG2-CB 4.06Å; V765-V803 HydrophobicContact CG2-CG1 3.9Å; V765-V803 HydrophobicContact CG2-CG2 3.9Å
766	T	98.1	Very high	98	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	18%	0.175	C	C	.	.			trans	-116.5	19.6	-175	65.1	0	0	0	0	113.7	W631 L634 I638 P764	W631-T766 VanDerWaalsContact CE3-C 3.41Å; L634-T766 HydrophobicContact CD2-CG2 4.36Å; L634-T766 HydrophobicContact CG-CG2 4.07Å; I638-T766 HydrophobicContact CD1-CG2 4.24Å; P764-T766 HydrophobicContact CB-CG2 4.25Å; P764-T766 PolarHBondContact O-N 3.4Å
767	E	97.7	Very high	98	Very high	86 Å²	86	34.5 Å²	34.5	40%	0.402	17%	0.174	S	C	.	.	S	Bend	trans	-127.3	140	-179	-59.9	-68.7	163.1	0	0	110.3	K635 A770	K635-E767 IonicContact NZ-OE1 2.88Å; K635-E767 PolarHBondContact NZ-OE1 2.99Å; E767-A770 HydrophobicContact CB-CB 4.36Å; E767-A770 WeakPolarHBondContact O-CB 3.32Å
768	E	97.9	Very high	97.9	Very high	124 Å²	124	34.4 Å²	34.4	58%	0.579	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	133.3	-178	-165.7	164.8	-139.3	0	0	112.4	W631 A770	W631-E768 HydrophobicContact CD2-CB 4.13Å; W631-E768 HydrophobicContact CG-CB 4.38Å; W631-E768 VanDerWaalsContact CZ2-CA 3.5Å; W631-E768 HydrophobicContact CZ2-CB 3.78Å; W631-E768 HydrophobicContact CZ2-CG 3.84Å; E768-A770 PolarHBondContact O-N 3.07Å; E768-A770 VanDerWaalsContact O-N 3.16Å
769	G	97.8	Very high	97.9	Very high	36 Å²	36	30.8 Å²	30.8	37%	0.371	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	11.1	175	0	0	0	0	0	114.8	E666 R771	E666-G769 WeakPolarHBondContact OE1-CA 3.24Å; E666-G769 PolarHBondContact OE1-N 3.15Å; G769-R771 PolarHBondContact O-N 2.97Å
770	A	97.4	Very high	97.6	Very high	19 Å²	19	38.3 Å²	38.3	16%	0.157	20%	0.196	C	C	.	.			trans	-56	135.3	-177.8	0	0	0	0	0	112.3	V765 E767 E768 V803	V765-A770 HydrophobicContact CG1-CB 3.65Å; E767-A770 HydrophobicContact CB-CB 4.36Å; E767-A770 WeakPolarHBondContact O-CB 3.32Å; E768-A770 PolarHBondContact O-N 3.07Å; E768-A770 VanDerWaalsContact O-N 3.16Å; A770-V803 HydrophobicContact CB-CG2 4.45Å
771	R	97.1	Very high	97.3	Very high	194 Å²	194	45.9 Å²	45.9	73%	0.732	23%	0.231	S	C	*	.	S	Bend	trans	-109.3	-9.7	177.5	-58.1	-57.5	-172.8	-167	-2.6	113.3	G769 P802 V803	G769-R771 PolarHBondContact O-N 2.97Å; R771-P802 WeakPolarHBondContact O-CA 3.4Å; R771-V803 PolarHBondContact O-N 3.41Å
772	G	96.9	Very high	97.2	Very high	19 Å²	19	48 Å²	48	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	163.5	170.3	0	0	0	0	0	110.4	I801	G772-I801 CarbonylContact C-O 3.55Å; G772-I801 WeakPolarHBondContact CA-O 3.38Å
773	V	97.3	Very high	97.2	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.115	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	161.1	171.8	-61.5	0	0	0	0	109.3	H763 V765 Y800 I801 V803 P809	H763-V773 VanDerWaalsContact CD2-CG2 3.49Å; H763-V773 WeakPolarHBondContact CD2-CG2 3.37Å; V765-V773 HydrophobicContact CG1-CG1 4.47Å; V765-V773 HydrophobicContact CG2-CG1 4.02Å; V773-Y800 WeakPolarHBondContact O-CA 3.4Å; V773-I801 HydrophobicContact CG2-CB 4.24Å; V773-I801 HydrophobicContact CG2-CD1 4.38Å; V773-I801 PolarHBondContact N-O 2.9Å; V773-I801 PolarHBondContact O-N 2.92Å; V773-V803 HydrophobicContact CG2-CG1 4.11Å; V773-P809 HydrophobicContact CG2-CB 4.31Å; V773-P809 HydrophobicContact CG2-CG 3.64Å
774	T	97.7	Very high	97.2	Very high	76 Å²	76	47.6 Å²	47.6	47%	0.466	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	103.1	176.7	-57.7	0	0	0	0	108.9	H763 N798 L799	H763-T774 PolarHBondContact NE2-O 3.32Å; T774-N798 HydrophobicContact CG2-CB 3.83Å; T774-L799 WeakPolarHBondContact CA-O 3.43Å
775	A	97.1	Very high	97.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.8	176.6	0	0	0	0	0	110.1	E753 H763 L799 I801	E753-A775 WeakPolarHBondContact OE2-CA 3.32Å; E753-A775 WeakPolarHBondContact OE2-CB 3.42Å; H763-A775 HydrophobicContact CB-CB 4.05Å; A775-L799 PolarHBondContact N-O 3.06Å; A775-L799 PolarHBondContact O-N 3.12Å; A775-I801 HydrophobicContact CB-CD1 3.73Å
776	Y	98.4	Very high	97.2	Very high	23 Å²	23	48.6 Å²	48.6	9%	0.09	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.1	167.5	176.9	-113.9	0	0	0	108.5	L737 D744 A746 T747 L750 E753 P778 N798	L737-Y776 HydrophobicContact CD2-CD1 4.32Å; D744-Y776 WeakPolarHBondContact OD2-CE1 3.44Å; D744-Y776 PolarHBondContact OD2-OH 2.75Å; A746-Y776 HydrophobicContact CB-CE1 4.17Å; T747-Y776 HydrophobicContact CG2-CD1 4.08Å; T747-Y776 HydrophobicContact CG2-CE1 3.69Å; L750-Y776 HydrophobicContact CD1-CD1 3.91Å; L750-Y776 HydrophobicContact CD1-CG 4.35Å; E753-Y776 WeakPolarHBondContact OE1-CA 3.34Å; E753-Y776 WeakPolarHBondContact OE1-CB 3.39Å; E753-Y776 PolarHBondContact OE1-N 2.67Å; E753-Y776 PolarHBondContact OE2-N 2.66Å; E753-Y776 VanDerWaalsContact OE2-N 3.14Å; Y776-P778 HydrophobicContact CD1-CB 4.2Å; Y776-P778 HydrophobicContact CE1-CB 3.74Å; Y776-P778 WeakPolarHBondContact O-CD 3.39Å; Y776-N798 WeakPolarHBondContact CB-OD1 3.13Å; Y776-N798 WeakPolarHBondContact CD2-OD1 3.4Å
777	L	98.4	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	105.2	173	-62.1	-176.6	0	0	0	107.9	L761 W784 H793 G795 G796 Q797 L799 F811	L761-L777 HydrophobicContact CD1-CD2 4.15Å; L761-L777 HydrophobicContact CD2-CD2 4.22Å; L777-W784 HydrophobicContact CB-CG 4.33Å; L777-W784 HydrophobicContact CD1-CB 4.09Å; L777-W784 HydrophobicContact CD1-CG 4.39Å; L777-W784 HydrophobicContact CD2-CB 4.33Å; L777-W784 HydrophobicContact CD2-CD2 4.48Å; L777-W784 HydrophobicContact CD2-CG 4.15Å; L777-H793 HydrophobicContact CD1-CB 3.59Å; L777-G795 CarbonylContact O-C 3.43Å; L777-G795 WeakPolarHBondContact O-CA 2.95Å; L777-G796 WeakPolarHBondContact O-CA 3.2Å; L777-G796 PolarHBondContact O-N 2.94Å; L777-Q797 PolarHBondContact N-O 2.89Å; L777-Q797 PolarHBondContact O-N 3.13Å; L777-L799 HydrophobicContact CD1-CB 4.14Å; L777-L799 HydrophobicContact CD1-CD2 3.74Å; L777-L799 HydrophobicContact CG-CB 4.36Å; L777-F811 HydrophobicContact CD2-CD1 4.43Å; L777-F811 HydrophobicContact CD2-CD2 3.98Å; L777-F811 HydrophobicContact CD2-CE2 4.3Å; L777-F811 HydrophobicContact CD2-CG 4.06Å
778	P	97.7	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.			trans	-75.5	173.2	-175.2	32.3	-37.7	0	0	0	112.4	L737 Y741 T747 L761 Y776 W784 G795	L737-P778 HydrophobicContact CD2-CG 3.98Å; L737-P778 HydrophobicContact CG-CG 4.37Å; Y741-P778 HydrophobicContact CD1-CB 3.93Å; Y741-P778 HydrophobicContact CD1-CG 4.44Å; Y741-P778 HydrophobicContact CD2-CB 3.54Å; Y741-P778 HydrophobicContact CD2-CG 3.46Å; Y741-P778 VanDerWaalsContact CD2-CG 3.46Å; Y741-P778 HydrophobicContact CE1-CB 3.96Å; Y741-P778 HydrophobicContact CE1-CG 4.12Å; Y741-P778 HydrophobicContact CE2-CB 3.62Å; Y741-P778 HydrophobicContact CE2-CG 3.09Å; Y741-P778 HydrophobicContact CG-CB 3.73Å; Y741-P778 HydrophobicContact CG-CG 4.16Å; Y741-P778 VanDerWaalsContact CZ-CG 3.47Å; T747-P778 HydrophobicContact CG2-CB 4.44Å; L761-P778 HydrophobicContact CD1-CG 4.42Å; Y776-P778 HydrophobicContact CD1-CB 4.2Å; Y776-P778 HydrophobicContact CE1-CB 3.74Å; Y776-P778 WeakPolarHBondContact O-CD 3.39Å; P778-W784 HydrophobicContact CG-CZ2 3.89Å; P778-W784 PolarHBondContact O-NE1 2.95Å; P778-G795 WeakPolarHBondContact O-CA 3.42Å
779	G	96.3	Very high	96.8	Very high	11 Å²	11	46.3 Å²	46.3	11%	0.113	24%	0.237	C	C	.	.			trans	79.8	91.9	175.4	0	0	0	0	0	114.2	H781 E782 G795	G779-H781 PolarHBondContact O-N 2.91Å; G779-E782 WeakPolarHBondContact O-CB 3.36Å; G779-E782 PolarHBondContact O-N 2.81Å; G779-G795 CarbonylContact O-C 3.52Å; G779-G795 VanDerWaalsContact O-C 3.31Å; G779-G795 WeakPolarHBondContact O-CA 3.24Å
780	K	91.4	Very high	96.7	Very high	173 Å²	173	46.6 Å²	46.6	75%	0.752	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.9	-176.9	-70.6	-178.9	179.7	174.5	0	115.6
781	H	93.2	Very high	96.6	Very high	160 Å²	160	51.1 Å²	51.1	74%	0.741	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	9.1	179.6	-60	-53	0	0	0	113	G779 N844	G779-H781 PolarHBondContact O-N 2.91Å; H781-N844 PolarHBondContact O-ND2 3.36Å
782	E	96.9	Very high	96.6	Very high	45 Å²	45	46.6 Å²	46.6	21%	0.21	23%	0.232	C	C	.	.			trans	-102	169.8	-177.9	-58.5	-170.6	-168.3	0	0	111.5	Y741 G779 G795 R813	Y741-E782 PolarHBondContact OH-OE2 2.76Å; G779-E782 WeakPolarHBondContact O-CB 3.36Å; G779-E782 PolarHBondContact O-N 2.81Å; E782-G795 PolarHBondContact O-N 3.4Å; E782-R813 VanDerWaalsContact CD-NH2 3.26Å; E782-R813 IonicContact OE1-CZ 3.23Å; E782-R813 IonicContact OE1-NE 2.78Å; E782-R813 IonicContact OE1-NH2 2.75Å; E782-R813 PolarHBondContact OE1-NH2 2.98Å; E782-R813 IonicContact OE2-CZ 2.85Å; E782-R813 VanDerWaalsContact OE2-CZ 3.3Å; E782-R813 IonicContact OE2-NE 3.16Å; E782-R813 PolarHBondContact OE2-NE 3.19Å; E782-R813 IonicContact OE2-NH2 4Å; E782-R813 PolarHBondContact OE2-NH2 2.97Å
783	V	97.9	Very high	96.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.7	178.9	-61.2	0	0	0	0	108.7	F785 K792 H793 G814 N844	V783-F785 HydrophobicContact CG2-CE2 3.82Å; V783-F785 HydrophobicContact CG2-CZ 4.35Å; V783-K792 HydrophobicContact CB-CG 4.34Å; V783-H793 CarbonylContact C-O 3.41Å; V783-H793 VanDerWaalsContact CA-O 3.24Å; V783-H793 WeakPolarHBondContact CA-O 3.45Å; V783-G814 PolarHBondContact O-N 3.03Å; V783-N844 WeakPolarHBondContact CG1-ND2 3.32Å; V783-N844 VanDerWaalsContact CG1-OD1 3.23Å; V783-N844 WeakPolarHBondContact CG1-OD1 3.27Å
784	W	98.6	Very high	96.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134	-176	-69.5	95	0	0	0	108.5	Y741 L755 L761 L777 P778 K792 H793 F811 R813	Y741-W784 VanDerWaalsContact OH-CZ2 3.28Å; Y741-W784 WeakPolarHBondContact OH-CZ2 3.15Å; L755-W784 HydrophobicContact CD2-CH2 3.73Å; L755-W784 HydrophobicContact CD2-CZ3 4.28Å; L761-W784 HydrophobicContact CB-CE3 4.05Å; L761-W784 HydrophobicContact CB-CH2 3.94Å; L761-W784 HydrophobicContact CB-CZ3 3.52Å; L761-W784 HydrophobicContact CD1-CH2 4.27Å; L761-W784 HydrophobicContact CD1-CZ2 4.37Å; L761-W784 HydrophobicContact CD1-CZ3 4.47Å; L777-W784 HydrophobicContact CB-CG 4.33Å; L777-W784 HydrophobicContact CD1-CB 4.09Å; L777-W784 HydrophobicContact CD1-CG 4.39Å; L777-W784 HydrophobicContact CD2-CB 4.33Å; L777-W784 HydrophobicContact CD2-CD2 4.48Å; L777-W784 HydrophobicContact CD2-CG 4.15Å; P778-W784 HydrophobicContact CG-CZ2 3.89Å; P778-W784 PolarHBondContact O-NE1 2.95Å; W784-K792 CarbonylContact O-C 3.56Å; W784-H793 PolarHBondContact N-O 2.82Å; W784-H793 PolarHBondContact O-N 3.4Å; W784-F811 HydrophobicContact CB-CB 4.16Å; W784-F811 HydrophobicContact CB-CD1 4.43Å; W784-F811 HydrophobicContact CD2-CB 4.48Å; W784-F811 HydrophobicContact CE3-CB 3.8Å; W784-R813 HydrophobicContact CE3-CB 3.95Å; W784-R813 HydrophobicContact CE3-CG 4.43Å; W784-R813 HydrophobicContact CH2-CB 3.79Å; W784-R813 HydrophobicContact CH2-CG 3.84Å; W784-R813 HydrophobicContact CZ2-CB 4.42Å; W784-R813 HydrophobicContact CZ2-CG 4.03Å; W784-R813 HydrophobicContact CZ3-CB 3.53Å; W784-R813 HydrophobicContact CZ3-CG 4.06Å
785	F	98.6	Very high	96.6	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.2	179.9	-64.9	-93.2	0	0	0	109.4	V783 I787 Q791 K792 F811 Q812 A841 L842 L902	V783-F785 HydrophobicContact CG2-CE2 3.82Å; V783-F785 HydrophobicContact CG2-CZ 4.35Å; F785-I787 PolarHBondContact O-N 2.94Å; F785-Q791 WeakPolarHBondContact CA-O 3.48Å; F785-K792 HydrophobicContact CD1-CB 4.05Å; F785-K792 HydrophobicContact CD1-CG 4.44Å; F785-K792 HydrophobicContact CE1-CB 3.8Å; F785-K792 HydrophobicContact CE1-CD 4.23Å; F785-K792 HydrophobicContact CE1-CG 3.94Å; F785-K792 HydrophobicContact CZ-CD 4.23Å; F785-K792 HydrophobicContact CZ-CG 4.15Å; F785-F811 CarbonylContact O-C 3.51Å; F785-F811 VanDerWaalsContact O-CA 3.26Å; F785-F811 WeakPolarHBondContact O-CA 3.3Å; F785-Q812 PolarHBondContact N-O 3.22Å; F785-Q812 PolarHBondContact O-N 3.1Å; F785-A841 HydrophobicContact CD2-CB 3.86Å; F785-A841 HydrophobicContact CE2-CB 4.12Å; F785-L842 WeakPolarHBondContact CE2-O 3.31Å; F785-L902 HydrophobicContact CB-CD1 3.76Å; F785-L902 HydrophobicContact CD1-CB 3.81Å; F785-L902 HydrophobicContact CD1-CD1 4.12Å; F785-L902 HydrophobicContact CE1-CB 3.8Å; F785-L902 HydrophobicContact CG-CB 4.21Å; F785-L902 HydrophobicContact CG-CD1 3.9Å; F785-L902 HydrophobicContact CZ-CB 4.19Å
786	D	97.9	Very high	96.5	Very high	20 Å²	20	48.7 Å²	48.7	11%	0.107	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	125.5	169.3	178.3	-57.7	0	0	0	109	H788 T789 F790 Q791 F811	D786-H788 PolarHBondContact O-N 3.34Å; D786-H788 WeakPolarHBondContact OD1-CA 3.17Å; D786-H788 WeakPolarHBondContact OD1-CB 3.26Å; D786-H788 PolarHBondContact OD1-N 2.65Å; D786-T789 VanDerWaalsContact CB-OG1 3.32Å; D786-T789 WeakPolarHBondContact CB-OG1 3.45Å; D786-T789 PolarHBondContact OD1-N 3.05Å; D786-T789 PolarHBondContact OD1-OG1 2.87Å; D786-F790 WeakPolarHBondContact O-CA 3.46Å; D786-F790 PolarHBondContact O-N 3.34Å; D786-Q791 PolarHBondContact N-O 2.93Å; D786-F811 HydrophobicContact CB-CD1 4.17Å; D786-F811 HydrophobicContact CB-CE1 4.01Å
787	I	97.3	Very high	96.4	Very high	11 Å²	11	51.1 Å²	51.1	6%	0.056	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.6	-171.8	69	166.9	0	0	0	113.8	F715 L760 F785 V810 Q812	F715-I787 HydrophobicContact CE2-CD1 4.09Å; F715-I787 HydrophobicContact CZ-CD1 3.93Å; L760-I787 HydrophobicContact CD2-CG2 4.23Å; F785-I787 PolarHBondContact O-N 2.94Å; I787-V810 HydrophobicContact CD1-CB 3.62Å; I787-V810 HydrophobicContact CD1-CG1 3.53Å; I787-V810 HydrophobicContact CD1-CG2 4.38Å; I787-V810 HydrophobicContact CG1-CB 3.84Å; I787-V810 HydrophobicContact CG1-CG1 4.05Å; I787-V810 HydrophobicContact CG2-CG1 4.11Å; I787-V810 PolarHBondContact N-O 3.11Å; I787-Q812 HydrophobicContact CG2-CB 3.94Å
788	H	93.8	Very high	96.3	Very high	94 Å²	94	56.6 Å²	56.6	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-42.5	-178.5	-64.5	-78.5	0	0	0	111.5	Q711 D786	Q711-H788 PolarHBondContact NE2-CE1 3.06Å; Q711-H788 PolarHBondContact NE2-NE2 3.26Å; D786-H788 PolarHBondContact O-N 3.34Å; D786-H788 WeakPolarHBondContact OD1-CA 3.17Å; D786-H788 WeakPolarHBondContact OD1-CB 3.26Å; D786-H788 PolarHBondContact OD1-N 2.65Å
789	T	94.5	Very high	96.3	Very high	68 Å²	68	57.9 Å²	57.9	42%	0.417	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-13	-175.9	67.5	0	0	0	0	113.7	D786 Q791 M929	D786-T789 VanDerWaalsContact CB-OG1 3.32Å; D786-T789 WeakPolarHBondContact CB-OG1 3.45Å; D786-T789 PolarHBondContact OD1-N 3.05Å; D786-T789 PolarHBondContact OD1-OG1 2.87Å; T789-Q791 PolarHBondContact O-N 2.85Å; T789-Q791 VanDerWaalsContact O-N 3.1Å; T789-Q791 WeakPolarHBondContact OG1-CB 3.32Å; T789-Q791 PolarHBondContact OG1-N 2.79Å; T789-M929 VanDerWaalsContact O-SD 3.32Å
790	F	96.6	Very high	96.4	Very high	42 Å²	42	64 Å²	64	18%	0.184	31%	0.313	C	S	.	.			trans	58.5	11.9	-170.8	-51.1	-43.6	0	0	0	114.6	D786 K792 Y839 L902 M929 V931	D786-F790 WeakPolarHBondContact O-CA 3.46Å; D786-F790 PolarHBondContact O-N 3.34Å; F790-K792 PolarHBondContact O-N 2.75Å; F790-Y839 HydrophobicContact CE1-CE1 4.09Å; F790-Y839 HydrophobicContact CZ-CE1 4.19Å; F790-L902 HydrophobicContact CB-CD2 4.14Å; F790-L902 HydrophobicContact CD1-CD1 4.13Å; F790-L902 HydrophobicContact CD1-CD2 3.66Å; F790-L902 HydrophobicContact CD2-CD2 4.42Å; F790-L902 HydrophobicContact CE1-CD2 4.15Å; F790-L902 HydrophobicContact CG-CD2 3.82Å; F790-M929 HydrophobicContact CB-SD 4.39Å; F790-M929 HydrophobicContact CD2-CE 4.49Å; F790-M929 HydrophobicContact CD2-SD 4.43Å; F790-V931 HydrophobicContact CB-CG2 3.96Å; F790-V931 HydrophobicContact CD2-CG2 4.05Å; F790-V931 HydrophobicContact CG-CG2 4.21Å
791	Q	95.7	Very high	96.6	Very high	114 Å²	114	56.7 Å²	56.7	53%	0.533	28%	0.281	S	S	.	.			trans	-61.8	129.4	176.3	-174.8	173.9	-10	0	0	109.9	F785 D786 T789 H793	F785-Q791 WeakPolarHBondContact CA-O 3.48Å; D786-Q791 PolarHBondContact N-O 2.93Å; T789-Q791 PolarHBondContact O-N 2.85Å; T789-Q791 VanDerWaalsContact O-N 3.1Å; T789-Q791 WeakPolarHBondContact OG1-CB 3.32Å; T789-Q791 PolarHBondContact OG1-N 2.79Å; Q791-H793 PolarHBondContact NE2-CE1 2.82Å; Q791-H793 PolarHBondContact O-CD2 3.18Å; Q791-H793 VanDerWaalsContact O-CD2 3.31Å
792	K	96.6	Very high	96.8	Very high	99 Å²	99	53.6 Å²	53.6	43%	0.43	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.4	176.5	-176.6	-177.7	175.5	177.1	0	110.4	V783 W784 F785 F790 N844	V783-K792 HydrophobicContact CB-CG 4.34Å; W784-K792 CarbonylContact O-C 3.56Å; F785-K792 HydrophobicContact CD1-CB 4.05Å; F785-K792 HydrophobicContact CD1-CG 4.44Å; F785-K792 HydrophobicContact CE1-CB 3.8Å; F785-K792 HydrophobicContact CE1-CD 4.23Å; F785-K792 HydrophobicContact CE1-CG 3.94Å; F785-K792 HydrophobicContact CZ-CD 4.23Å; F785-K792 HydrophobicContact CZ-CG 4.15Å; F790-K792 PolarHBondContact O-N 2.75Å; K792-N844 PolarHBondContact NZ-OD1 2.75Å
793	H	97.3	Very high	96.8	Very high	22 Å²	22	51.8 Å²	51.8	10%	0.102	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146	172.9	-58.3	-86	0	0	0	109.5	L777 V783 W784 Q791 L799 F811	L777-H793 HydrophobicContact CD1-CB 3.59Å; V783-H793 CarbonylContact C-O 3.41Å; V783-H793 VanDerWaalsContact CA-O 3.24Å; V783-H793 WeakPolarHBondContact CA-O 3.45Å; W784-H793 PolarHBondContact N-O 2.82Å; W784-H793 PolarHBondContact O-N 3.4Å; Q791-H793 PolarHBondContact NE2-CE1 2.82Å; Q791-H793 PolarHBondContact O-CD2 3.18Å; Q791-H793 VanDerWaalsContact O-CD2 3.31Å; H793-L799 HydrophobicContact CB-CD2 4.39Å; H793-L799 WeakPolarHBondContact ND1-CD2 3.4Å; H793-F811 AromaticContact CD2-CE1 3.85Å
794	N	97	Very high	96.8	Very high	96 Å²	96	55.5 Å²	55.5	51%	0.513	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	152.5	171.6	-61.9	-40.5	0	0	0	109.7	Q797	N794-Q797 WeakPolarHBondContact O-CG 3.46Å; N794-Q797 PolarHBondContact O-NE2 2.9Å
795	G	97.1	Very high	96.6	Very high	10 Å²	10	57.9 Å²	57.9	10%	0.103	30%	0.302	C	S	.	.	S	Bend	trans	-83.2	179.6	171.9	0	0	0	0	0	113.5	L777 P778 G779 E782	L777-G795 CarbonylContact O-C 3.43Å; L777-G795 WeakPolarHBondContact O-CA 2.95Å; P778-G795 WeakPolarHBondContact O-CA 3.42Å; G779-G795 CarbonylContact O-C 3.52Å; G779-G795 VanDerWaalsContact O-C 3.31Å; G779-G795 WeakPolarHBondContact O-CA 3.24Å; E782-G795 PolarHBondContact O-N 3.4Å
796	G	95.5	Very high	96.4	Very high	30 Å²	30	61.2 Å²	61.2	31%	0.309	33%	0.326	S	S	.	.	S	Bend	trans	70.1	30	-174	0	0	0	0	0	114.4	L777	L777-G796 WeakPolarHBondContact O-CA 3.2Å; L777-G796 PolarHBondContact O-N 2.94Å
797	Q	95.8	Very high	96.1	Very high	73 Å²	73	61.9 Å²	61.9	34%	0.341	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.2	-177.4	69.2	178.2	-42.4	0	0	113.4	L777 N794	L777-Q797 PolarHBondContact N-O 2.89Å; L777-Q797 PolarHBondContact O-N 3.13Å; N794-Q797 WeakPolarHBondContact O-CG 3.46Å; N794-Q797 PolarHBondContact O-NE2 2.9Å
798	N	97.4	Very high	95.9	Very high	115 Å²	115	61.8 Å²	61.8	62%	0.615	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.7	164.4	-69.9	-37.9	0	0	0	109.1	T774 Y776	T774-N798 HydrophobicContact CG2-CB 3.83Å; Y776-N798 WeakPolarHBondContact CB-OD1 3.13Å; Y776-N798 WeakPolarHBondContact CD2-OD1 3.4Å
799	L	97.4	Very high	96	Very high	27 Å²	27	57.4 Å²	57.4	14%	0.141	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.6	-178.8	-179.7	67.6	0	0	0	110.1	T774 A775 L777 H793 I801 F811	T774-L799 WeakPolarHBondContact CA-O 3.43Å; A775-L799 PolarHBondContact N-O 3.06Å; A775-L799 PolarHBondContact O-N 3.12Å; L777-L799 HydrophobicContact CD1-CB 4.14Å; L777-L799 HydrophobicContact CD1-CD2 3.74Å; L777-L799 HydrophobicContact CG-CB 4.36Å; H793-L799 HydrophobicContact CB-CD2 4.39Å; H793-L799 WeakPolarHBondContact ND1-CD2 3.4Å; L799-I801 HydrophobicContact CD2-CD1 4.27Å; L799-I801 HydrophobicContact CD2-CG1 3.87Å; L799-I801 HydrophobicContact CG-CD1 4.48Å; L799-I801 HydrophobicContact CG-CG1 3.86Å; L799-F811 HydrophobicContact CD2-CE1 4.08Å; L799-F811 HydrophobicContact CD2-CZ 4.04Å
800	Y	97.8	Very high	96.2	Very high	140 Å²	140	54.2 Å²	54.2	55%	0.549	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.7	167.8	-178.7	-95	0	0	0	110.3	V773 P802	V773-Y800 WeakPolarHBondContact O-CA 3.4Å; Y800-P802 HydrophobicContact CE1-CG 4.26Å
801	I	96.4	Very high	96.3	Very high	19 Å²	19	52.2 Å²	52.2	10%	0.097	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112.4	-174.1	-57.9	153.6	0	0	0	107.6	G772 V773 A775 L799 V803 P809 F811	G772-I801 CarbonylContact C-O 3.55Å; G772-I801 WeakPolarHBondContact CA-O 3.38Å; V773-I801 HydrophobicContact CG2-CB 4.24Å; V773-I801 HydrophobicContact CG2-CD1 4.38Å; V773-I801 PolarHBondContact N-O 2.9Å; V773-I801 PolarHBondContact O-N 2.92Å; A775-I801 HydrophobicContact CB-CD1 3.73Å; L799-I801 HydrophobicContact CD2-CD1 4.27Å; L799-I801 HydrophobicContact CD2-CG1 3.87Å; L799-I801 HydrophobicContact CG-CD1 4.48Å; L799-I801 HydrophobicContact CG-CG1 3.86Å; I801-V803 HydrophobicContact CG2-CG1 4.39Å; I801-V803 PolarHBondContact O-N 3.44Å; I801-P809 HydrophobicContact CD1-CB 4.1Å; I801-P809 HydrophobicContact CG2-CG 4.39Å; I801-F811 HydrophobicContact CD1-CE2 3.61Å; I801-F811 HydrophobicContact CD1-CZ 3.44Å; I801-F811 VanDerWaalsContact CD1-CZ 3.44Å; I801-F811 HydrophobicContact CG1-CZ 4.06Å
802	P	96.7	Very high	96.5	Very high	96 Å²	96	46.9 Å²	46.9	62%	0.623	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.4	171.6	-19.8	31.9	0	0	0	110.3	R771 Y800	R771-P802 WeakPolarHBondContact O-CA 3.4Å; Y800-P802 HydrophobicContact CE1-CG 4.26Å
803	V	97.3	Very high	96.6	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.042	25%	0.245	C	C	.	.			trans	-120.4	140.8	179.4	-58.3	0	0	0	0	111.5	V765 A770 R771 V773 I801 P809	V765-V803 HydrophobicContact CG1-CG2 4.38Å; V765-V803 HydrophobicContact CG2-CB 4.06Å; V765-V803 HydrophobicContact CG2-CG1 3.9Å; V765-V803 HydrophobicContact CG2-CG2 3.9Å; A770-V803 HydrophobicContact CB-CG2 4.45Å; R771-V803 PolarHBondContact O-N 3.41Å; V773-V803 HydrophobicContact CG2-CG1 4.11Å; I801-V803 HydrophobicContact CG2-CG1 4.39Å; I801-V803 PolarHBondContact O-N 3.44Å; V803-P809 HydrophobicContact CG1-CG 3.88Å
804	T	96.7	Very high	96.7	Very high	78 Å²	78	43.5 Å²	43.5	48%	0.479	24%	0.244	S	C	.	.			trans	-110.5	-177.8	164.7	73.3	0	0	0	0	108.9	R670 S806 S807	R670-T804 PolarHBondContact NH1-O 3.31Å; R670-T804 PolarHBondContact NH2-O 2.73Å; T804-S806 PolarHBondContact O-N 3.36Å; T804-S806 PolarHBondContact OG1-N 3.07Å; T804-S806 PolarHBondContact OG1-OG 3.21Å; T804-S806 VanDerWaalsContact OG1-OG 3.09Å; T804-S807 PolarHBondContact N-OG 2.85Å; T804-S807 WeakPolarHBondContact O-CB 3.29Å; T804-S807 PolarHBondContact O-N 3.43Å; T804-S807 VanDerWaalsContact O-N 3.14Å; T804-S807 PolarHBondContact OG1-OG 3.47Å
805	M	95.9	Very high	96.7	Very high	51 Å²	51	39.7 Å²	39.7	25%	0.251	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.3	176.8	-161.1	62.8	-179.7	0	0	113.6	E666 V669 R670 Q673 L704	E666-M805 VanDerWaalsContact CA-CE 3.47Å; E666-M805 HydrophobicContact CB-CE 4.08Å; E666-M805 HydrophobicContact CG-CE 3.8Å; E666-M805 HydrophobicContact CG-SD 3.89Å; V669-M805 HydrophobicContact CB-CE 3.38Å; V669-M805 HydrophobicContact CG1-CE 3.66Å; V669-M805 HydrophobicContact CG1-CG 4.48Å; V669-M805 HydrophobicContact CG2-CE 3.72Å; R670-M805 PolarHBondContact NH1-O 3.5Å; Q673-M805 PolarHBondContact NE2-O 2.78Å; L704-M805 HydrophobicContact CD1-CB 4.12Å; L704-M805 HydrophobicContact CD1-CG 3.49Å; L704-M805 VanDerWaalsContact CD1-CG 3.49Å
806	S	94	Very high	96.8	Very high	74 Å²	74	39.2 Å²	39.2	52%	0.517	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.6	178.5	66	0	0	0	0	113.9	L704 T804	L704-S806 VanDerWaalsContact CD2-CB 3.47Å; T804-S806 PolarHBondContact O-N 3.36Å; T804-S806 PolarHBondContact OG1-N 3.07Å; T804-S806 PolarHBondContact OG1-OG 3.21Å; T804-S806 VanDerWaalsContact OG1-OG 3.09Å
807	S	91.9	Very high	97	Very high	33 Å²	33	37.9 Å²	37.9	23%	0.231	21%	0.209	C	C	.	.			trans	-75.8	131.2	-176.6	-60.9	0	0	0	0	111.1	R670 T804	R670-S807 PolarHBondContact NH1-O 2.86Å; T804-S807 PolarHBondContact N-OG 2.85Å; T804-S807 WeakPolarHBondContact O-CB 3.29Å; T804-S807 PolarHBondContact O-N 3.43Å; T804-S807 VanDerWaalsContact O-N 3.14Å; T804-S807 PolarHBondContact OG1-OG 3.47Å
808	I	91.9	Very high	97.1	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.051	19%	0.193	C	C	.	.			trans	-127.2	105.6	166.8	-44.4	175.8	0	0	0	106.2	Q673 Y677 V708 V810	Q673-I808 HydrophobicContact CB-CD1 3.91Å; Q673-I808 HydrophobicContact CB-CG1 4Å; Q673-I808 HydrophobicContact CG-CD1 3.62Å; Q673-I808 HydrophobicContact CG-CG1 3.72Å; Y677-I808 HydrophobicContact CD2-CG2 4.29Å; Y677-I808 HydrophobicContact CE2-CD1 4.34Å; Y677-I808 HydrophobicContact CE2-CG2 3.97Å; V708-I808 HydrophobicContact CB-CD1 3.92Å; V708-I808 HydrophobicContact CG2-CD1 3.49Å; V708-I808 VanDerWaalsContact CG2-CD1 3.49Å; I808-V810 HydrophobicContact CB-CG2 4.36Å; I808-V810 HydrophobicContact CG2-CG2 3.82Å; I808-V810 PolarHBondContact O-N 3.34Å
809	P	97.6	Very high	97.2	Very high	2 Å²	2	29 Å²	29	1%	0.013	16%	0.164	C	C	.	.			trans	-62.7	105.7	178.7	-24.2	34.9	0	0	0	111.2	H763 V773 I801 V803 F811	H763-P809 HydrophobicContact CB-CB 4.37Å; H763-P809 PolarHBondContact N-O 3.37Å; H763-P809 WeakPolarHBondContact O-CB 3.13Å; H763-P809 WeakPolarHBondContact O-CD 3.39Å; H763-P809 VanDerWaalsContact O-CG 3.31Å; H763-P809 WeakPolarHBondContact O-CG 3.24Å; V773-P809 HydrophobicContact CG2-CB 4.31Å; V773-P809 HydrophobicContact CG2-CG 3.64Å; I801-P809 HydrophobicContact CD1-CB 4.1Å; I801-P809 HydrophobicContact CG2-CG 4.39Å; V803-P809 HydrophobicContact CG1-CG 3.88Å; P809-F811 HydrophobicContact CB-CE2 4.23Å
810	V	98.6	Very high	97.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	130.9	179.9	-175.7	0	0	0	0	109.7	Y677 L760 L761 V762 I787 I808	Y677-V810 HydrophobicContact CE1-CG1 4.02Å; Y677-V810 HydrophobicContact CE1-CG2 3.96Å; Y677-V810 HydrophobicContact CE2-CG2 4.05Å; L760-V810 HydrophobicContact CD2-CG1 4.43Å; L761-V810 CarbonylContact O-C 3.56Å; L761-V810 VanDerWaalsContact O-CA 3.27Å; L761-V810 WeakPolarHBondContact O-CA 3.5Å; V762-V810 HydrophobicContact CG1-CG2 4.17Å; V762-V810 HydrophobicContact CG2-CG1 4.27Å; V762-V810 HydrophobicContact CG2-CG2 4.42Å; I787-V810 HydrophobicContact CD1-CB 3.62Å; I787-V810 HydrophobicContact CD1-CG1 3.53Å; I787-V810 HydrophobicContact CD1-CG2 4.38Å; I787-V810 HydrophobicContact CG1-CB 3.84Å; I787-V810 HydrophobicContact CG1-CG1 4.05Å; I787-V810 HydrophobicContact CG2-CG1 4.11Å; I787-V810 PolarHBondContact N-O 3.11Å; I808-V810 HydrophobicContact CB-CG2 4.36Å; I808-V810 HydrophobicContact CG2-CG2 3.82Å; I808-V810 PolarHBondContact O-N 3.34Å
811	F	98.8	Very high	97.3	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.7	-174.6	-58.4	-91.7	0	0	0	111	L760 L761 L777 W784 F785 D786 H793 L799 I801 P809	L760-F811 CarbonylContact C-O 3.31Å; L760-F811 WeakPolarHBondContact CA-O 3.25Å; L761-F811 HydrophobicContact CB-CB 4.39Å; L761-F811 HydrophobicContact CD2-CD2 3.89Å; L761-F811 PolarHBondContact N-O 2.9Å; L761-F811 PolarHBondContact O-N 3.2Å; L777-F811 HydrophobicContact CD2-CD1 4.43Å; L777-F811 HydrophobicContact CD2-CD2 3.98Å; L777-F811 HydrophobicContact CD2-CE2 4.3Å; L777-F811 HydrophobicContact CD2-CG 4.06Å; W784-F811 HydrophobicContact CB-CB 4.16Å; W784-F811 HydrophobicContact CB-CD1 4.43Å; W784-F811 HydrophobicContact CD2-CB 4.48Å; W784-F811 HydrophobicContact CE3-CB 3.8Å; F785-F811 CarbonylContact O-C 3.51Å; F785-F811 VanDerWaalsContact O-CA 3.26Å; F785-F811 WeakPolarHBondContact O-CA 3.3Å; D786-F811 HydrophobicContact CB-CD1 4.17Å; D786-F811 HydrophobicContact CB-CE1 4.01Å; H793-F811 AromaticContact CD2-CE1 3.85Å; L799-F811 HydrophobicContact CD2-CE1 4.08Å; L799-F811 HydrophobicContact CD2-CZ 4.04Å; I801-F811 HydrophobicContact CD1-CE2 3.61Å; I801-F811 HydrophobicContact CD1-CZ 3.44Å; I801-F811 VanDerWaalsContact CD1-CZ 3.44Å; I801-F811 HydrophobicContact CG1-CZ 4.06Å; P809-F811 HydrophobicContact CB-CE2 4.23Å
812	Q	98.8	Very high	97.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.2	169.6	-177.5	172.5	-11.8	0	0	109.9	D759 L760 F785 I787 S816 I818 Y839 A841	D759-Q812 CarbonylContact O-C 3.56Å; D759-Q812 WeakPolarHBondContact O-CA 3.39Å; L760-Q812 HydrophobicContact CD2-CB 4.01Å; L760-Q812 HydrophobicContact CD2-CG 4.38Å; F785-Q812 PolarHBondContact N-O 3.22Å; F785-Q812 PolarHBondContact O-N 3.1Å; I787-Q812 HydrophobicContact CG2-CB 3.94Å; Q812-S816 WeakPolarHBondContact CG-OG 3.26Å; Q812-S816 PolarHBondContact NE2-O 2.74Å; Q812-S816 PolarHBondContact NE2-OG 2.86Å; Q812-I818 HydrophobicContact CG-CD1 3.82Å; Q812-Y839 PolarHBondContact NE2-O 3.11Å; Q812-A841 HydrophobicContact CG-CB 3.81Å
813	R	98.8	Very high	97.4	Very high	41 Å²	41	24 Å²	24	16%	0.155	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.2	176.4	-164.4	-179.2	178.4	179.3	0.2	110.4	Y741 R758 D759 E782 W784 S816	Y741-R813 VanDerWaalsContact OH-CZ 3.23Å; Y741-R813 PolarHBondContact OH-NE 3.06Å; Y741-R813 PolarHBondContact OH-NH2 3.27Å; R758-R813 VanDerWaalsContact O-CD 3.22Å; R758-R813 WeakPolarHBondContact O-CD 3.47Å; R758-R813 PolarHBondContact O-NH1 2.97Å; D759-R813 PolarHBondContact O-N 2.67Å; E782-R813 VanDerWaalsContact CD-NH2 3.26Å; E782-R813 IonicContact OE1-CZ 3.23Å; E782-R813 IonicContact OE1-NE 2.78Å; E782-R813 IonicContact OE1-NH2 2.75Å; E782-R813 PolarHBondContact OE1-NH2 2.98Å; E782-R813 IonicContact OE2-CZ 2.85Å; E782-R813 VanDerWaalsContact OE2-CZ 3.3Å; E782-R813 IonicContact OE2-NE 3.16Å; E782-R813 PolarHBondContact OE2-NE 3.19Å; E782-R813 IonicContact OE2-NH2 4Å; E782-R813 PolarHBondContact OE2-NH2 2.97Å; W784-R813 HydrophobicContact CE3-CB 3.95Å; W784-R813 HydrophobicContact CE3-CG 4.43Å; W784-R813 HydrophobicContact CH2-CB 3.79Å; W784-R813 HydrophobicContact CH2-CG 3.84Å; W784-R813 HydrophobicContact CZ2-CB 4.42Å; W784-R813 HydrophobicContact CZ2-CG 4.03Å; W784-R813 HydrophobicContact CZ3-CB 3.53Å; W784-R813 HydrophobicContact CZ3-CG 4.06Å; R813-S816 WeakPolarHBondContact O-CB 3.44Å; R813-S816 PolarHBondContact O-N 3.19Å; R813-S816 PolarHBondContact O-OG 3.04Å
814	G	98.6	Very high	97.5	Very high	9 Å²	9	24.7 Å²	24.7	9%	0.093	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	141.8	166.9	0	0	0	0	0	110.4	V783 A841	V783-G814 PolarHBondContact O-N 3.03Å; G814-A841 CarbonylContact C-O 3.49Å
815	G	98.4	Very high	97.6	Very high	17 Å²	17	26.2 Å²	26.2	18%	0.175	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	2.6	-170	0	0	0	0	0	113.6	A841 T847 A848 E849	G815-A841 PolarHBondContact N-O 2.92Å; G815-T847 WeakPolarHBondContact CA-O 3.1Å; G815-A848 CarbonylContact O-C 3.57Å; G815-A848 VanDerWaalsContact O-CA 3.29Å; G815-A848 WeakPolarHBondContact O-CA 3.4Å; G815-E849 PolarHBondContact O-N 2.81Å
816	S	98.8	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	149.4	-175.3	71.3	0	0	0	0	114.1	D759 Q812 R813 A841 E849	D759-S816 VanDerWaalsContact CG-CB 3.48Å; D759-S816 WeakPolarHBondContact OD1-CB 3.45Å; Q812-S816 WeakPolarHBondContact CG-OG 3.26Å; Q812-S816 PolarHBondContact NE2-O 2.74Å; Q812-S816 PolarHBondContact NE2-OG 2.86Å; R813-S816 WeakPolarHBondContact O-CB 3.44Å; R813-S816 PolarHBondContact O-N 3.19Å; R813-S816 PolarHBondContact O-OG 3.04Å; S816-A841 PolarHBondContact N-O 3.14Å; S816-A841 PolarHBondContact O-N 2.71Å; S816-E849 CarbonylContact C-O 3.55Å; S816-E849 WeakPolarHBondContact CA-O 3.46Å
817	I	98.9	Very high	97.9	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.3	169.7	-55.5	179.3	0	0	0	109.2	L838 Y839 V840 A848 E849 G850 F872 F874 L879	I817-L838 HydrophobicContact CG2-CB 4.4Å; I817-Y839 WeakPolarHBondContact CA-O 3.31Å; I817-V840 HydrophobicContact CD1-CG1 4.29Å; I817-V840 HydrophobicContact CD1-CG2 4.26Å; I817-V840 HydrophobicContact CG1-CB 4.35Å; I817-V840 HydrophobicContact CG1-CG1 4.07Å; I817-V840 HydrophobicContact CG1-CG2 4.11Å; I817-V840 HydrophobicContact CG2-CG2 4.03Å; I817-A848 HydrophobicContact CD1-CB 4.16Å; I817-A848 HydrophobicContact CG1-CB 3.7Å; I817-E849 PolarHBondContact N-O 2.98Å; I817-G850 WeakPolarHBondContact O-CA 3.46Å; I817-F872 HydrophobicContact CB-CB 4.31Å; I817-F872 HydrophobicContact CD1-CB 3.67Å; I817-F872 HydrophobicContact CG2-CB 4.01Å; I817-F872 HydrophobicContact CG2-CD2 4.11Å; I817-F872 HydrophobicContact CG2-CG 4.32Å; I817-F874 HydrophobicContact CD1-CB 4.39Å; I817-L879 HydrophobicContact CD1-CD1 3.69Å
818	I	98.8	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.3	-177.8	-61	-179.5	0	0	0	110.5	F715 Y718 D759 L760 Q812 R820 Y839	F715-I818 HydrophobicContact CD1-CG2 4.23Å; F715-I818 HydrophobicContact CE1-CG2 4.11Å; Y718-I818 HydrophobicContact CD2-CG1 4.36Å; Y718-I818 HydrophobicContact CD2-CG2 4.05Å; Y718-I818 HydrophobicContact CE2-CG1 4.32Å; Y718-I818 HydrophobicContact CG-CG2 3.95Å; D759-I818 HydrophobicContact CB-CD1 4Å; D759-I818 HydrophobicContact CB-CG1 4.34Å; L760-I818 HydrophobicContact CD1-CD1 4.04Å; L760-I818 HydrophobicContact CD2-CD1 3.43Å; L760-I818 VanDerWaalsContact CD2-CD1 3.43Å; L760-I818 HydrophobicContact CG-CD1 3.51Å; Q812-I818 HydrophobicContact CG-CD1 3.82Å; I818-R820 HydrophobicContact CG2-CG 4.16Å; I818-Y839 PolarHBondContact N-O 3.23Å; I818-Y839 PolarHBondContact O-N 2.91Å
819	P	98.5	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.6	172.1	31.7	-33.8	0	0	0	111	P717 Y836 L838 L852	P717-P819 HydrophobicContact CB-CB 4.43Å; P717-P819 HydrophobicContact CB-CG 4.3Å; P819-Y836 HydrophobicContact CB-CD1 4.18Å; P819-L838 HydrophobicContact CB-CD2 3.92Å; P819-L852 HydrophobicContact CB-CB 4.49Å; P819-L852 HydrophobicContact CB-CD1 4.11Å; P819-L852 HydrophobicContact CG-CB 4.17Å; P819-L852 HydrophobicContact CG-CD1 3.97Å
820	R	98.7	Very high	98.6	Very high	12 Å²	12	27.7 Å²	27.7	5%	0.045	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.1	176.3	-57.7	-169.7	-160.3	176.8	2	111.6	T714 F715 I818 L822 Y836 T837 Y839	T714-R820 CarbonylContact O-C 3.53Å; T714-R820 WeakPolarHBondContact O-CA 3.28Å; T714-R820 VanDerWaalsContact O-CB 3.28Å; T714-R820 WeakPolarHBondContact O-CB 3.41Å; F715-R820 HydrophobicContact CD1-CG 4.24Å; F715-R820 HydrophobicContact CE1-CG 4.35Å; I818-R820 HydrophobicContact CG2-CG 4.16Å; R820-L822 HydrophobicContact CB-CD2 3.78Å; R820-Y836 CarbonylContact O-C 3.56Å; R820-Y836 WeakPolarHBondContact O-CA 3.32Å; R820-T837 PolarHBondContact N-O 2.87Å; R820-T837 PolarHBondContact O-N 3.43Å; R820-Y839 HydrophobicContact CB-CD2 4.36Å; R820-Y839 HydrophobicContact CB-CE2 4.2Å; R820-Y839 HydrophobicContact CG-CD2 3.94Å; R820-Y839 HydrophobicContact CG-CE2 4.09Å
821	K	98.6	Very high	98.6	Very high	14 Å²	14	27.9 Å²	27.9	6%	0.061	13%	0.131	C	C	.	.			trans	-105	101.6	169.7	-77.8	-176	173.3	-179.8	0	109.7	T714 P717 R823 M831 E832 D834 Y836	T714-K821 WeakPolarHBondContact CA-O 3.47Å; T714-K821 PolarHBondContact O-N 2.87Å; P717-K821 HydrophobicContact CG-CB 4.37Å; P717-K821 HydrophobicContact CG-CD 4.29Å; P717-K821 HydrophobicContact CG-CG 3.92Å; K821-R823 VanDerWaalsContact C-N 3.32Å; K821-R823 PolarHBondContact O-N 2.87Å; K821-M831 HydrophobicContact CB-CE 3.57Å; K821-M831 HydrophobicContact CD-CB 4.35Å; K821-M831 HydrophobicContact CD-CE 4.49Å; K821-M831 WeakPolarHBondContact CD-O 3.4Å; K821-M831 WeakPolarHBondContact CE-O 3.15Å; K821-M831 PolarHBondContact NZ-O 3.42Å; K821-E832 PolarHBondContact NZ-O 3.46Å; K821-D834 HydrophobicContact CD-CB 4.22Å; K821-D834 VanDerWaalsContact CE-O 3.25Å; K821-D834 WeakPolarHBondContact CE-O 3.37Å; K821-Y836 HydrophobicContact CD-CE1 4.3Å; K821-Y836 VanDerWaalsContact CE-CZ 3.42Å; K821-Y836 HydrophobicContact CG-CD1 3.98Å; K821-Y836 HydrophobicContact CG-CE1 4.02Å
822	L	98.3	Very high	98.5	Very high	51 Å²	51	31.5 Å²	31.5	27%	0.267	15%	0.148	S	C	.	.			trans	-82.6	-8.8	-173.7	-57.2	-159.9	0	0	0	114.3	T714 R820 V824 T837 Y839	T714-L822 HydrophobicContact CG2-CD2 4Å; R820-L822 HydrophobicContact CB-CD2 3.78Å; L822-V824 VanDerWaalsContact C-N 3.3Å; L822-V824 PolarHBondContact O-N 3.47Å; L822-V824 VanDerWaalsContact O-N 3.12Å; L822-T837 HydrophobicContact CD1-CG2 4.33Å; L822-Y839 HydrophobicContact CD1-CE2 4.43Å; L822-Y839 WeakPolarHBondContact CD1-OH 3.19Å; L822-Y839 HydrophobicContact CD2-CE2 4.36Å
823	R	98.2	Very high	98.5	Very high	102 Å²	102	35.3 Å²	35.3	39%	0.385	17%	0.166	S	C	.	.	S	Bend	trans	-84.8	75.6	172.1	-57.5	-171.3	-169.4	-171.6	-2	109.1	K821 R825 D834 E897	K821-R823 VanDerWaalsContact C-N 3.32Å; K821-R823 PolarHBondContact O-N 2.87Å; R823-R825 PolarHBondContact O-N 3.21Å; R823-D834 HydrophobicContact CB-CB 4.38Å; R823-E897 IonicContact CZ-OE2 3.83Å; R823-E897 IonicContact NE-OE2 3.35Å; R823-E897 PolarHBondContact NE-OE2 3.44Å; R823-E897 VanDerWaalsContact NE-OE2 3.12Å; R823-E897 IonicContact NH2-OE2 3.82Å; R823-E897 PolarHBondContact NH2-OE2 3.37Å
824	V	98.6	Very high	98.4	Very high	21 Å²	21	33.7 Å²	33.7	13%	0.127	16%	0.16	C	C	.	.			trans	-65.5	132.6	178.6	-176.8	0	0	0	0	109.6	P431 R710 Y713 T714 L822	P431-V824 HydrophobicContact CB-CG1 4.43Å; P431-V824 HydrophobicContact CG-CG1 3.93Å; R710-V824 HydrophobicContact CB-CG1 4.1Å; R710-V824 HydrophobicContact CB-CG2 4.26Å; R710-V824 HydrophobicContact CG-CG1 3.95Å; Y713-V824 HydrophobicContact CG-CG1 4.41Å; T714-V824 HydrophobicContact CG2-CG2 3.49Å; T714-V824 VanDerWaalsContact CG2-CG2 3.49Å; L822-V824 VanDerWaalsContact C-N 3.3Å; L822-V824 PolarHBondContact O-N 3.47Å; L822-V824 VanDerWaalsContact O-N 3.12Å
825	R	98.6	Very high	98.4	Very high	109 Å²	109	33.3 Å²	33.3	41%	0.411	16%	0.156	S	C	.	.			trans	-125.1	177.4	177.6	-59.5	-173.6	-173.3	-99.2	3.2	109.8	P431 R823 S827 C830 M831 D834	P431-R825 WeakPolarHBondContact CB-O 3.41Å; R823-R825 PolarHBondContact O-N 3.21Å; R825-S827 VanDerWaalsContact C-N 3.25Å; R825-S827 PolarHBondContact O-N 2.9Å; R825-S827 VanDerWaalsContact O-N 3.16Å; R825-C830 HydrophobicContact CB-CB 3.7Å; R825-C830 WeakPolarHBondContact CD-O 3.34Å; R825-C830 HydrophobicContact CG-CB 4.4Å; R825-C830 PolarHBondContact NE-O 2.92Å; R825-M831 HydrophobicContact CB-CG 3.89Å; R825-M831 HydrophobicContact CG-CG 4.1Å; R825-D834 WeakPolarHBondContact CD-OD2 3.4Å; R825-D834 IonicContact CZ-OD1 2.98Å; R825-D834 IonicContact CZ-OD2 3.85Å; R825-D834 IonicContact NE-OD1 3.97Å; R825-D834 PolarHBondContact NE-OD1 3.32Å; R825-D834 IonicContact NE-OD2 3.01Å; R825-D834 PolarHBondContact NE-OD2 2.64Å; R825-D834 IonicContact NH2-OD1 3.95Å; R825-D834 PolarHBondContact NH2-OD1 2.83Å; R825-D834 IonicContact NH2-OD2 3.64Å
826	R	98.7	Very high	98.5	Very high	113 Å²	113	32.9 Å²	32.9	43%	0.426	15%	0.149	S	C	.	.	S	Bend	trans	-60.2	-23.6	-173.4	71.5	-179.9	65.5	179.7	-2.2	116.4	P431 Y432	P431-R826 VanDerWaalsContact CA-O 3.3Å; P431-R826 WeakPolarHBondContact CA-O 3.5Å; Y432-R826 PolarHBondContact N-O 3.15Å; Y432-R826 VanDerWaalsContact O-O 3.1Å
827	S	98.9	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-154.9	165.4	177.6	72.1	0	0	0	0	110.6	K469 R825 T829 C830	K469-S827 WeakPolarHBondContact O-CB 3.06Å; K469-S827 PolarHBondContact O-OG 3.45Å; R825-S827 VanDerWaalsContact C-N 3.25Å; R825-S827 PolarHBondContact O-N 2.9Å; R825-S827 VanDerWaalsContact O-N 3.16Å; S827-T829 VanDerWaalsContact C-N 3.34Å; S827-T829 PolarHBondContact O-N 2.88Å; S827-C830 WeakPolarHBondContact O-CB 2.77Å; S827-C830 PolarHBondContact O-N 2.94Å
828	S	98.8	Very high	98.5	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.021	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-39.1	-177.4	71.9	0	0	0	0	111.9	A401 D433 C830 M831 E832	A401-S828 VanDerWaalsContact CA-OG 3.29Å; A401-S828 WeakPolarHBondContact CA-OG 3.35Å; D433-S828 VanDerWaalsContact OD1-CB 3.29Å; D433-S828 WeakPolarHBondContact OD1-CB 3.31Å; D433-S828 PolarHBondContact OD1-N 3.01Å; D433-S828 PolarHBondContact OD1-OG 2.96Å; D433-S828 PolarHBondContact OD2-N 3.49Å; S828-C830 VanDerWaalsContact C-N 3.26Å; S828-C830 PolarHBondContact O-N 3.3Å; S828-M831 WeakPolarHBondContact O-CA 3.42Å; S828-M831 WeakPolarHBondContact O-CB 3.25Å; S828-M831 PolarHBondContact O-N 3.07Å; S828-E832 PolarHBondContact O-N 2.91Å
829	T	98.4	Very high	98.5	Very high	45 Å²	45	33.8 Å²	33.8	28%	0.276	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-60.9	-35.1	177.4	-53.7	0	0	0	0	111.5	K469 S827 M831 E832	K469-T829 HydrophobicContact CB-CG2 3.96Å; K469-T829 HydrophobicContact CD-CG2 4.2Å; K469-T829 HydrophobicContact CG-CG2 4.28Å; S827-T829 VanDerWaalsContact C-N 3.34Å; S827-T829 PolarHBondContact O-N 2.88Å; T829-M831 PolarHBondContact O-N 3.5Å; T829-E832 WeakPolarHBondContact O-CB 3.44Å; T829-E832 PolarHBondContact O-N 2.83Å
830	C	98.7	Very high	98.5	Very high	40 Å²	40	33.8 Å²	33.8	27%	0.27	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-65.2	-25.1	174.2	-68.7	0	0	0	0	112.7	R825 S827 S828	R825-C830 HydrophobicContact CB-CB 3.7Å; R825-C830 WeakPolarHBondContact CD-O 3.34Å; R825-C830 HydrophobicContact CG-CB 4.4Å; R825-C830 PolarHBondContact NE-O 2.92Å; S827-C830 WeakPolarHBondContact O-CB 2.77Å; S827-C830 PolarHBondContact O-N 2.94Å; S828-C830 VanDerWaalsContact C-N 3.26Å; S828-C830 PolarHBondContact O-N 3.3Å
831	M	98.7	Very high	98.5	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.025	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-87.5	-3.8	-178.1	-61	174.9	59	0	0	113.3	Y713 K821 R825 S828 T829 H833 D834	Y713-M831 HydrophobicContact CD1-SD 3.71Å; Y713-M831 HydrophobicContact CG-SD 4.35Å; Y713-M831 WeakPolarHBondContact O-CE 3.38Å; K821-M831 HydrophobicContact CB-CE 3.57Å; K821-M831 HydrophobicContact CD-CB 4.35Å; K821-M831 HydrophobicContact CD-CE 4.49Å; K821-M831 WeakPolarHBondContact CD-O 3.4Å; K821-M831 WeakPolarHBondContact CE-O 3.15Å; K821-M831 PolarHBondContact NZ-O 3.42Å; R825-M831 HydrophobicContact CB-CG 3.89Å; R825-M831 HydrophobicContact CG-CG 4.1Å; S828-M831 WeakPolarHBondContact O-CA 3.42Å; S828-M831 WeakPolarHBondContact O-CB 3.25Å; S828-M831 PolarHBondContact O-N 3.07Å; T829-M831 PolarHBondContact O-N 3.5Å; M831-H833 VanDerWaalsContact C-N 3.3Å; M831-H833 PolarHBondContact O-N 2.78Å; M831-H833 VanDerWaalsContact O-N 3.16Å; M831-D834 WeakPolarHBondContact CA-OD2 3.26Å; M831-D834 WeakPolarHBondContact O-CB 3.13Å; M831-D834 PolarHBondContact O-N 2.97Å
832	E	96.6	Very high	98.5	Very high	76 Å²	76	32.8 Å²	32.8	36%	0.355	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-46.8	-172.4	-171.4	-168.4	147.2	0	0	113.1	K821 S828 T829 S894	K821-E832 PolarHBondContact NZ-O 3.46Å; S828-E832 PolarHBondContact O-N 2.91Å; T829-E832 WeakPolarHBondContact O-CB 3.44Å; T829-E832 PolarHBondContact O-N 2.83Å; E832-S894 PolarHBondContact O-OG 3.16Å
833	H	97.3	Very high	98.5	Very high	82 Å²	82	31.9 Å²	31.9	38%	0.38	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	7.4	-177.8	-57.2	-32.4	0	0	0	114.6	M831 K893	M831-H833 VanDerWaalsContact C-N 3.3Å; M831-H833 PolarHBondContact O-N 2.78Å; M831-H833 VanDerWaalsContact O-N 3.16Å; H833-K893 HydrophobicContact CB-CB 4.31Å
834	D	98.4	Very high	98.3	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-69.2	155.5	176.6	-81.6	-38.9	0	0	0	112.2	K821 R823 R825 M831 S894	K821-D834 HydrophobicContact CD-CB 4.22Å; K821-D834 VanDerWaalsContact CE-O 3.25Å; K821-D834 WeakPolarHBondContact CE-O 3.37Å; R823-D834 HydrophobicContact CB-CB 4.38Å; R825-D834 WeakPolarHBondContact CD-OD2 3.4Å; R825-D834 IonicContact CZ-OD1 2.98Å; R825-D834 IonicContact CZ-OD2 3.85Å; R825-D834 IonicContact NE-OD1 3.97Å; R825-D834 PolarHBondContact NE-OD1 3.32Å; R825-D834 IonicContact NE-OD2 3.01Å; R825-D834 PolarHBondContact NE-OD2 2.64Å; R825-D834 IonicContact NH2-OD1 3.95Å; R825-D834 PolarHBondContact NH2-OD1 2.83Å; R825-D834 IonicContact NH2-OD2 3.64Å; M831-D834 WeakPolarHBondContact CA-OD2 3.26Å; M831-D834 WeakPolarHBondContact O-CB 3.13Å; M831-D834 PolarHBondContact O-N 2.97Å; D834-S894 WeakPolarHBondContact O-CB 3.07Å; D834-S894 PolarHBondContact O-OG 2.97Å
835	P	98.6	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-76.6	158	178.1	31.6	-36.1	0	0	0	113.5	W895 E897	P835-W895 CarbonylContact C-O 3.52Å; P835-W895 WeakPolarHBondContact CA-O 3.24Å; P835-W895 HydrophobicContact CB-CD2 3.76Å; P835-W895 VanDerWaalsContact CB-CE2 3.5Å; P835-W895 HydrophobicContact CB-CE3 4.34Å; P835-W895 HydrophobicContact CB-CG 4.03Å; P835-W895 HydrophobicContact CB-CH2 4.44Å; P835-W895 HydrophobicContact CB-CZ2 3.88Å; P835-W895 WeakPolarHBondContact CB-O 3.41Å; P835-W895 HydrophobicContact CG-CH2 4.26Å; P835-W895 HydrophobicContact CG-CZ2 3.73Å; P835-E897 HydrophobicContact CB-CB 3.76Å; P835-E897 HydrophobicContact CB-CG 3.78Å; P835-E897 HydrophobicContact CG-CB 4Å; P835-E897 VanDerWaalsContact CG-CD 3.49Å; P835-E897 HydrophobicContact CG-CG 3.78Å; P835-E897 VanDerWaalsContact CG-OE2 3.28Å; P835-E897 WeakPolarHBondContact CG-OE2 3.5Å
836	Y	98.8	Very high	98.1	Very high	8 Å²	8	37.5 Å²	37.5	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	147.4	175.7	-62.5	-86.2	0	0	0	111.8	P717 P819 R820 K821 L852 I854 S894 W895 E897 A941	P717-Y836 HydrophobicContact CB-CD1 4.29Å; P717-Y836 HydrophobicContact CB-CE1 3.78Å; P717-Y836 HydrophobicContact CG-CD1 4.11Å; P717-Y836 HydrophobicContact CG-CE1 3.67Å; P819-Y836 HydrophobicContact CB-CD1 4.18Å; R820-Y836 CarbonylContact O-C 3.56Å; R820-Y836 WeakPolarHBondContact O-CA 3.32Å; K821-Y836 HydrophobicContact CD-CE1 4.3Å; K821-Y836 VanDerWaalsContact CE-CZ 3.42Å; K821-Y836 HydrophobicContact CG-CD1 3.98Å; K821-Y836 HydrophobicContact CG-CE1 4.02Å; Y836-L852 HydrophobicContact CD1-CD1 4.21Å; Y836-L852 HydrophobicContact CD1-CD2 4.22Å; Y836-L852 HydrophobicContact CD2-CD2 4.14Å; Y836-L852 HydrophobicContact CE1-CD1 3.59Å; Y836-L852 HydrophobicContact CE1-CD2 4.1Å; Y836-L852 HydrophobicContact CE2-CD2 4.02Å; Y836-L852 HydrophobicContact CG-CD2 4.23Å; Y836-I854 HydrophobicContact CE2-CD1 3.95Å; Y836-S894 VanDerWaalsContact CE2-CB 3.47Å; Y836-W895 PolarHBondContact N-O 3.02Å; Y836-E897 PolarHBondContact O-N 3.1Å; Y836-A941 HydrophobicContact CD2-CB 3.74Å; Y836-A941 HydrophobicContact CE2-CB 3.88Å
837	T	98.9	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129	159.9	-60.3	0	0	0	0	108.4	R820 L822 Y839 R898 I900	R820-T837 PolarHBondContact N-O 2.87Å; R820-T837 PolarHBondContact O-N 3.43Å; L822-T837 HydrophobicContact CD1-CG2 4.33Å; T837-Y839 HydrophobicContact CG2-CD2 4.03Å; T837-Y839 HydrophobicContact CG2-CE2 3.61Å; T837-R898 VanDerWaalsContact CA-O 3.27Å; T837-R898 WeakPolarHBondContact CA-O 3.24Å; T837-R898 HydrophobicContact CG2-CB 4.06Å; T837-R898 HydrophobicContact CG2-CG 4.07Å; T837-R898 VanDerWaalsContact OG1-CZ 3.24Å; T837-R898 PolarHBondContact OG1-NH1 3.35Å; T837-R898 PolarHBondContact OG1-NH2 2.77Å; T837-I900 HydrophobicContact CG2-CD1 4.03Å; T837-I900 HydrophobicContact CG2-CG1 4.25Å
838	L	98.8	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.9	175.4	-55.7	-177.5	0	0	0	109.9	I817 P819 F872 V896 R898 I899 I900 W945	I817-L838 HydrophobicContact CG2-CB 4.4Å; P819-L838 HydrophobicContact CB-CD2 3.92Å; L838-F872 HydrophobicContact CD1-CD1 4.19Å; L838-F872 HydrophobicContact CD1-CE1 4.06Å; L838-F872 HydrophobicContact CD1-CZ 4.25Å; L838-F872 HydrophobicContact CD2-CD2 4.38Å; L838-F872 HydrophobicContact CD2-CE2 3.83Å; L838-F872 HydrophobicContact CD2-CZ 3.98Å; L838-V896 HydrophobicContact CD1-CG1 4.19Å; L838-V896 HydrophobicContact CD1-CG2 4.4Å; L838-V896 HydrophobicContact CG-CG1 4.07Å; L838-R898 PolarHBondContact N-O 3.17Å; L838-I899 HydrophobicContact CB-CG1 4.42Å; L838-I899 HydrophobicContact CD1-CG1 4.46Å; L838-I900 PolarHBondContact O-N 2.87Å; L838-W945 HydrophobicContact CD1-CH2 3.72Å; L838-W945 HydrophobicContact CD1-CZ2 3.91Å
839	Y	98.8	Very high	98.1	Very high	21 Å²	21	38.4 Å²	38.4	8%	0.082	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	103.4	170.9	-74.7	-99	0	0	0	109.3	F790 Q812 I817 I818 R820 L822 T837 I900	F790-Y839 HydrophobicContact CE1-CE1 4.09Å; F790-Y839 HydrophobicContact CZ-CE1 4.19Å; Q812-Y839 PolarHBondContact NE2-O 3.11Å; I817-Y839 WeakPolarHBondContact CA-O 3.31Å; I818-Y839 PolarHBondContact N-O 3.23Å; I818-Y839 PolarHBondContact O-N 2.91Å; R820-Y839 HydrophobicContact CB-CD2 4.36Å; R820-Y839 HydrophobicContact CB-CE2 4.2Å; R820-Y839 HydrophobicContact CG-CD2 3.94Å; R820-Y839 HydrophobicContact CG-CE2 4.09Å; L822-Y839 HydrophobicContact CD1-CE2 4.43Å; L822-Y839 WeakPolarHBondContact CD1-OH 3.19Å; L822-Y839 HydrophobicContact CD2-CE2 4.36Å; T837-Y839 HydrophobicContact CG2-CD2 4.03Å; T837-Y839 HydrophobicContact CG2-CE2 3.61Å; Y839-I900 HydrophobicContact CD1-CB 4.17Å; Y839-I900 HydrophobicContact CD1-CD1 4.27Å; Y839-I900 HydrophobicContact CD1-CG2 4.25Å; Y839-I900 HydrophobicContact CE1-CB 4.33Å; Y839-I900 HydrophobicContact CE1-CD1 3.59Å; Y839-I900 HydrophobicContact CE1-CG2 4.35Å; Y839-I900 HydrophobicContact CE2-CD1 4.37Å
840	V	98.9	Very high	98.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	101.8	-178.7	-178.2	0	0	0	0	108.3	I817 L842 A848 F874 L879 I899 I900 I901 L902	I817-V840 HydrophobicContact CD1-CG1 4.29Å; I817-V840 HydrophobicContact CD1-CG2 4.26Å; I817-V840 HydrophobicContact CG1-CB 4.35Å; I817-V840 HydrophobicContact CG1-CG1 4.07Å; I817-V840 HydrophobicContact CG1-CG2 4.11Å; I817-V840 HydrophobicContact CG2-CG2 4.03Å; V840-L842 HydrophobicContact CG1-CD2 3.84Å; V840-A848 HydrophobicContact CG1-CB 3.88Å; V840-F874 HydrophobicContact CG1-CB 3.98Å; V840-F874 HydrophobicContact CG1-CD2 4.25Å; V840-F874 HydrophobicContact CG1-CG 4.17Å; V840-L879 HydrophobicContact CG2-CD1 4.28Å; V840-L879 HydrophobicContact CG2-CD2 4.29Å; V840-I899 HydrophobicContact CG2-CG2 4.14Å; V840-I900 PolarHBondContact N-O 2.81Å; V840-I901 HydrophobicContact CB-CB 4.35Å; V840-I901 HydrophobicContact CB-CG1 4.11Å; V840-I901 HydrophobicContact CB-CG2 4.15Å; V840-I901 HydrophobicContact CG1-CG2 4.03Å; V840-I901 HydrophobicContact CG2-CG1 4.38Å; V840-I901 CarbonylContact O-C 3.31Å; V840-I901 WeakPolarHBondContact O-CA 3.28Å; V840-L902 PolarHBondContact O-N 3.33Å
841	A	98.8	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	110.2	176.5	0	0	0	0	0	109.5	F785 Q812 G814 G815 S816 L902	F785-A841 HydrophobicContact CD2-CB 3.86Å; F785-A841 HydrophobicContact CE2-CB 4.12Å; Q812-A841 HydrophobicContact CG-CB 3.81Å; G814-A841 CarbonylContact C-O 3.49Å; G815-A841 PolarHBondContact N-O 2.92Å; S816-A841 PolarHBondContact N-O 3.14Å; S816-A841 PolarHBondContact O-N 2.71Å; A841-L902 HydrophobicContact CB-CD1 4.24Å
842	L	98.6	Very high	98.1	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	18%	0.179	C	C	.	.			trans	-77.7	135.3	-177.4	-61.1	-177	0	0	0	111.8	F785 V840 R846 A848 F874 I901 L902	F785-L842 WeakPolarHBondContact CE2-O 3.31Å; V840-L842 HydrophobicContact CG1-CD2 3.84Å; L842-R846 HydrophobicContact CD1-CB 4.45Å; L842-A848 HydrophobicContact CD2-CB 4.23Å; L842-F874 HydrophobicContact CD1-CE1 4.03Å; L842-F874 HydrophobicContact CD1-CZ 4.46Å; L842-F874 HydrophobicContact CD2-CB 4.31Å; L842-F874 HydrophobicContact CD2-CD1 3.29Å; L842-F874 HydrophobicContact CD2-CE1 3.64Å; L842-F874 HydrophobicContact CD2-CG 3.8Å; L842-F874 HydrophobicContact CD2-CZ 4.41Å; L842-I901 HydrophobicContact CD1-CG2 3.78Å; L842-I901 HydrophobicContact CD2-CG2 4.17Å; L842-I901 HydrophobicContact CG-CG2 3.8Å; L842-L902 WeakPolarHBondContact CB-O 3.31Å; L842-L902 WeakPolarHBondContact CG-O 3.17Å; L842-L902 PolarHBondContact N-O 2.84Å; L842-L902 VanDerWaalsContact N-O 3.1Å
843	D	97.7	Very high	98.2	Very high	32 Å²	32	34.4 Å²	34.4	17%	0.171	16%	0.163	C	C	.	.			trans	-74.3	-174	168.5	62.5	27.6	0	0	0	112.2	Q845 R846 T847	D843-Q845 PolarHBondContact O-N 2.76Å; D843-Q845 VanDerWaalsContact OD1-CA 3.25Å; D843-Q845 WeakPolarHBondContact OD1-CA 3.36Å; D843-Q845 WeakPolarHBondContact OD1-CB 3.44Å; D843-Q845 PolarHBondContact OD1-N 3.26Å; D843-R846 PolarHBondContact O-N 2.97Å; D843-R846 VanDerWaalsContact O-N 3.1Å; D843-R846 PolarHBondContact OD1-N 3.08Å; D843-T847 VanDerWaalsContact CG-O 3.28Å; D843-T847 VanDerWaalsContact CG-OG1 3.24Å; D843-T847 PolarHBondContact N-O 2.77Å; D843-T847 VanDerWaalsContact N-O 3.11Å; D843-T847 PolarHBondContact OD1-N 3.05Å; D843-T847 PolarHBondContact OD1-OG1 2.81Å; D843-T847 VanDerWaalsContact OD1-OG1 3.12Å; D843-T847 PolarHBondContact OD2-OG1 2.57Å
844	N	95.3	Very high	98.2	Very high	76 Å²	76	31.1 Å²	31.1	41%	0.406	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.8	178.1	-73.2	-38.4	0	0	0	113.4	H781 V783 K792 R846	H781-N844 PolarHBondContact O-ND2 3.36Å; V783-N844 WeakPolarHBondContact CG1-ND2 3.32Å; V783-N844 VanDerWaalsContact CG1-OD1 3.23Å; V783-N844 WeakPolarHBondContact CG1-OD1 3.27Å; K792-N844 PolarHBondContact NZ-OD1 2.75Å; N844-R846 VanDerWaalsContact C-N 3.3Å
845	Q	96.4	Very high	98.2	Very high	134 Å²	134	31.2 Å²	31.2	63%	0.626	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.4	174.9	-66.2	72.3	22.1	0	0	112.1	D843 T847	D843-Q845 PolarHBondContact O-N 2.76Å; D843-Q845 VanDerWaalsContact OD1-CA 3.25Å; D843-Q845 WeakPolarHBondContact OD1-CA 3.36Å; D843-Q845 WeakPolarHBondContact OD1-CB 3.44Å; D843-Q845 PolarHBondContact OD1-N 3.26Å; Q845-T847 VanDerWaalsContact C-N 3.27Å
846	R	96.8	Very high	98.2	Very high	140 Å²	140	32.5 Å²	32.5	53%	0.528	16%	0.155	S	C	.	.	S	Bend	trans	60.5	36.6	-175	-56	-177.8	172.4	-159.4	-7.2	112.7	L842 D843 N844 F874 S905	L842-R846 HydrophobicContact CD1-CB 4.45Å; D843-R846 PolarHBondContact O-N 2.97Å; D843-R846 VanDerWaalsContact O-N 3.1Å; D843-R846 PolarHBondContact OD1-N 3.08Å; N844-R846 VanDerWaalsContact C-N 3.3Å; R846-F874 WeakPolarHBondContact O-CD1 3.49Å; R846-S905 PolarHBondContact NH1-OG 3.25Å; R846-S905 PolarHBondContact NH2-OG 3Å
847	T	98.4	Very high	98.1	Very high	50 Å²	50	32.5 Å²	32.5	31%	0.307	16%	0.158	S	C	.	.			trans	-110.8	156.9	173.2	43.4	0	0	0	0	111.5	G815 D843 Q845 F874 A875	G815-T847 WeakPolarHBondContact CA-O 3.1Å; D843-T847 VanDerWaalsContact CG-O 3.28Å; D843-T847 VanDerWaalsContact CG-OG1 3.24Å; D843-T847 PolarHBondContact N-O 2.77Å; D843-T847 VanDerWaalsContact N-O 3.11Å; D843-T847 PolarHBondContact OD1-N 3.05Å; D843-T847 PolarHBondContact OD1-OG1 2.81Å; D843-T847 VanDerWaalsContact OD1-OG1 3.12Å; D843-T847 PolarHBondContact OD2-OG1 2.57Å; Q845-T847 VanDerWaalsContact C-N 3.27Å; T847-F874 VanDerWaalsContact CA-O 3.25Å; T847-F874 WeakPolarHBondContact CA-O 3.49Å; T847-A875 HydrophobicContact CG2-CB 3.99Å
848	A	98.8	Very high	98.1	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.017	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	147.5	168.7	0	0	0	0	0	111.8	G815 I817 V840 L842 S873 F874	G815-A848 CarbonylContact O-C 3.57Å; G815-A848 VanDerWaalsContact O-CA 3.29Å; G815-A848 WeakPolarHBondContact O-CA 3.4Å; I817-A848 HydrophobicContact CD1-CB 4.16Å; I817-A848 HydrophobicContact CG1-CB 3.7Å; V840-A848 HydrophobicContact CG1-CB 3.88Å; L842-A848 HydrophobicContact CD2-CB 4.23Å; A848-S873 CarbonylContact O-C 3.57Å; A848-S873 WeakPolarHBondContact O-CA 3.33Å; A848-F874 HydrophobicContact CB-CB 4.21Å; A848-F874 PolarHBondContact N-O 3.09Å; A848-F874 PolarHBondContact O-N 3.34Å
849	E	98.7	Very high	98.1	Very high	82 Å²	82	36.5 Å²	36.5	38%	0.383	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152	173.2	-65	-167.9	145.9	0	0	111.4	R758 G815 S816 I817 K871 F872	R758-E849 PolarHBondContact NH2-O 2.9Å; G815-E849 PolarHBondContact O-N 2.81Å; S816-E849 CarbonylContact C-O 3.55Å; S816-E849 WeakPolarHBondContact CA-O 3.46Å; I817-E849 PolarHBondContact N-O 2.98Å; E849-K871 VanDerWaalsContact OE1-CE 3.26Å; E849-K871 WeakPolarHBondContact OE1-CE 3.48Å; E849-K871 IonicContact OE1-NZ 2.82Å; E849-K871 PolarHBondContact OE1-NZ 3.1Å; E849-K871 IonicContact OE2-NZ 3.61Å; E849-F872 WeakPolarHBondContact CA-O 3.39Å
850	G	98.5	Very high	98.1	Very high	6 Å²	6	37.7 Å²	37.7	6%	0.062	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	175.7	172.1	0	0	0	0	0	111.2	I817 F872	I817-G850 WeakPolarHBondContact O-CA 3.46Å; G850-F872 PolarHBondContact N-O 2.83Å; G850-F872 VanDerWaalsContact N-O 3.12Å; G850-F872 PolarHBondContact O-N 3.15Å
851	E	98.4	Very high	98	Very high	72 Å²	72	39.1 Å²	39.1	34%	0.336	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	158	-175	-65.6	-179.3	-165.5	0	0	111.7	Q721 H869 R870	Q721-E851 HydrophobicContact CG-CB 4.25Å; Q721-E851 PolarHBondContact NE2-OE2 3.26Å; E851-H869 IonicContact OE2-CD2 2.87Å; E851-H869 IonicContact OE2-CE1 3.77Å; E851-H869 PolarHBondContact OE2-CE1 3.2Å; E851-H869 IonicContact OE2-NE2 2.74Å; E851-H869 PolarHBondContact OE2-NE2 2.58Å; E851-R870 CarbonylContact C-O 3.55Å; E851-R870 WeakPolarHBondContact CA-O 3.19Å
852	L	98.5	Very high	97.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	120.9	171.1	169.7	64.9	0	0	0	110	P717 Q721 P819 Y836 I854 R870 F872 A941	P717-L852 HydrophobicContact CB-CD1 4.22Å; Q721-L852 VanDerWaalsContact OE1-C 3.31Å; P819-L852 HydrophobicContact CB-CB 4.49Å; P819-L852 HydrophobicContact CB-CD1 4.11Å; P819-L852 HydrophobicContact CG-CB 4.17Å; P819-L852 HydrophobicContact CG-CD1 3.97Å; Y836-L852 HydrophobicContact CD1-CD1 4.21Å; Y836-L852 HydrophobicContact CD1-CD2 4.22Å; Y836-L852 HydrophobicContact CD2-CD2 4.14Å; Y836-L852 HydrophobicContact CE1-CD1 3.59Å; Y836-L852 HydrophobicContact CE1-CD2 4.1Å; Y836-L852 HydrophobicContact CE2-CD2 4.02Å; Y836-L852 HydrophobicContact CG-CD2 4.23Å; L852-I854 HydrophobicContact CD1-CG1 4.14Å; L852-I854 HydrophobicContact CD2-CD1 3.97Å; L852-I854 HydrophobicContact CD2-CG1 4.28Å; L852-I854 HydrophobicContact CG-CD1 4.16Å; L852-I854 HydrophobicContact CG-CG1 3.91Å; L852-R870 HydrophobicContact CB-CB 4.29Å; L852-R870 PolarHBondContact N-O 3.32Å; L852-R870 PolarHBondContact O-N 3.21Å; L852-F872 HydrophobicContact CB-CE2 3.54Å; L852-F872 HydrophobicContact CB-CZ 3.94Å; L852-F872 HydrophobicContact CD2-CE2 4.3Å; L852-F872 HydrophobicContact CD2-CZ 4.02Å; L852-A941 HydrophobicContact CD2-CB 4.49Å
853	Y	98.3	Very high	97.7	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.9	172.5	179	-90.6	0	0	0	110.8	F397 Y720 Y724 D855 Y862 L867 I868	F397-Y853 HydrophobicContact CE1-CD1 4.39Å; F397-Y853 AromaticContact CE1-CE1 3.47Å; F397-Y853 HydrophobicContact CE1-CE1 3.47Å; F397-Y853 VanDerWaalsContact CE1-CE1 3.47Å; F397-Y853 AromaticContact CE1-CZ 3.72Å; F397-Y853 AromaticContact CZ-CD1 3.82Å; F397-Y853 HydrophobicContact CZ-CD1 3.82Å; F397-Y853 AromaticContact CZ-CE1 3.34Å; F397-Y853 HydrophobicContact CZ-CE1 3.34Å; F397-Y853 AromaticContact CZ-CZ 3.96Å; Y720-Y853 AromaticContact CD1-CD1 3.72Å; Y720-Y853 HydrophobicContact CD1-CD1 3.72Å; Y720-Y853 HydrophobicContact CD1-CE1 4.21Å; Y720-Y853 AromaticContact CE1-CD1 3.52Å; Y720-Y853 HydrophobicContact CE1-CD1 3.52Å; Y720-Y853 AromaticContact CE1-CE1 3.53Å; Y720-Y853 HydrophobicContact CE1-CE1 3.53Å; Y724-Y853 AromaticContact CD1-CD2 3.87Å; Y724-Y853 HydrophobicContact CD1-CD2 3.87Å; Y724-Y853 HydrophobicContact CD1-CE2 4.44Å; Y724-Y853 HydrophobicContact CD1-CG 4.31Å; Y724-Y853 HydrophobicContact CD2-CD1 4.32Å; Y724-Y853 AromaticContact CD2-CD2 3.46Å; Y724-Y853 HydrophobicContact CD2-CD2 3.46Å; Y724-Y853 VanDerWaalsContact CD2-CD2 3.46Å; Y724-Y853 HydrophobicContact CD2-CE1 4.18Å; Y724-Y853 AromaticContact CD2-CE2 3.26Å; Y724-Y853 HydrophobicContact CD2-CE2 3.26Å; Y724-Y853 AromaticContact CD2-CG 3.98Å; Y724-Y853 HydrophobicContact CD2-CG 3.98Å; Y724-Y853 AromaticContact CD2-CZ 3.64Å; Y724-Y853 AromaticContact CE1-CD2 3.91Å; Y724-Y853 HydrophobicContact CE1-CD2 3.91Å; Y724-Y853 HydrophobicContact CE1-CE2 4.31Å; Y724-Y853 AromaticContact CE2-CD2 3.47Å; Y724-Y853 HydrophobicContact CE2-CD2 3.47Å; Y724-Y853 VanDerWaalsContact CE2-CD2 3.47Å; Y724-Y853 AromaticContact CE2-CE2 3.05Å; Y724-Y853 HydrophobicContact CE2-CE2 3.05Å; Y724-Y853 HydrophobicContact CE2-CG 4.43Å; Y724-Y853 AromaticContact CE2-CZ 3.75Å; Y724-Y853 HydrophobicContact CG-CD1 4.45Å; Y724-Y853 AromaticContact CG-CD2 3.64Å; Y724-Y853 HydrophobicContact CG-CD2 3.64Å; Y724-Y853 AromaticContact CG-CE2 3.97Å; Y724-Y853 HydrophobicContact CG-CE2 3.97Å; Y724-Y853 AromaticContact CG-CG 3.9Å; Y724-Y853 HydrophobicContact CG-CG 3.9Å; Y724-Y853 AromaticContact CZ-CD2 3.71Å; Y724-Y853 AromaticContact CZ-CE2 3.64Å; Y853-D855 HydrophobicContact CE1-CB 3.93Å; Y853-D855 VanDerWaalsContact CE1-CG 3.48Å; Y853-D855 WeakPolarHBondContact OH-CB 3.45Å; Y853-D855 PolarHBondContact OH-OD2 2.95Å; Y853-Y862 WeakPolarHBondContact OH-CB 3.38Å; Y853-L867 HydrophobicContact CE2-CB 3.92Å; Y853-L867 HydrophobicContact CE2-CD1 4.08Å; Y853-L867 HydrophobicContact CE2-CD2 4.07Å; Y853-L867 HydrophobicContact CE2-CG 4.24Å; Y853-I868 WeakPolarHBondContact CA-O 3.49Å
854	I	98.4	Very high	97.5	Very high	13 Å²	13	50 Å²	50	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	127.3	176.4	-41.4	176.6	0	0	0	109.2	Y836 L852 L867 I868 F890 T892 A941	Y836-I854 HydrophobicContact CE2-CD1 3.95Å; L852-I854 HydrophobicContact CD1-CG1 4.14Å; L852-I854 HydrophobicContact CD2-CD1 3.97Å; L852-I854 HydrophobicContact CD2-CG1 4.28Å; L852-I854 HydrophobicContact CG-CD1 4.16Å; L852-I854 HydrophobicContact CG-CG1 3.91Å; I854-L867 CarbonylContact O-C 3.49Å; I854-L867 WeakPolarHBondContact O-CA 3.27Å; I854-I868 HydrophobicContact CB-CB 4.18Å; I854-I868 HydrophobicContact CD1-CG2 4.41Å; I854-I868 PolarHBondContact N-O 2.98Å; I854-I868 PolarHBondContact O-N 2.87Å; I854-F890 HydrophobicContact CG2-CE1 4.07Å; I854-T892 HydrophobicContact CD1-CG2 4.17Å; I854-A941 HydrophobicContact CD1-CB 4.22Å
855	D	98.1	Very high	97.5	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.048	24%	0.237	C	C	.	.	S	Bend	trans	-136.6	-162.4	163.9	64.5	-2.1	0	0	0	108.4	F397 R604 Y720 Y853 G857 L867	F397-D855 WeakPolarHBondContact CE1-OD2 3.25Å; R604-D855 IonicContact CZ-OD2 2.76Å; R604-D855 IonicContact NH1-OD2 3.07Å; R604-D855 PolarHBondContact NH1-OD2 2.86Å; Y720-D855 WeakPolarHBondContact CE1-OD1 3.48Å; Y720-D855 VanDerWaalsContact CZ-OD1 3.28Å; Y720-D855 PolarHBondContact OH-OD1 3.01Å; Y720-D855 PolarHBondContact OH-OD2 3.49Å; Y853-D855 HydrophobicContact CE1-CB 3.93Å; Y853-D855 VanDerWaalsContact CE1-CG 3.48Å; Y853-D855 WeakPolarHBondContact OH-CB 3.45Å; Y853-D855 PolarHBondContact OH-OD2 2.95Å; D855-G857 PolarHBondContact O-N 2.62Å; D855-G857 WeakPolarHBondContact OD1-CA 3.43Å; D855-G857 PolarHBondContact OD1-N 2.96Å; D855-L867 HydrophobicContact CB-CB 4.24Å
856	D	97.8	Very high	97.5	Very high	28 Å²	28	47.8 Å²	47.8	15%	0.15	22%	0.223	C	C	.	.			trans	-69.9	-10.7	174.6	62.4	30.6	0	0	0	114.2	H858 T859 F890	D856-H858 PolarHBondContact O-CD2 3.34Å; D856-H858 VanDerWaalsContact O-CD2 3.22Å; D856-H858 IonicContact OD1-CD2 2.82Å; D856-H858 PolarHBondContact OD1-N 3.16Å; D856-T859 PolarHBondContact OD1-N 3.15Å; D856-T859 PolarHBondContact OD1-OG1 3.46Å; D856-T859 WeakPolarHBondContact OD2-CB 3.34Å; D856-T859 VanDerWaalsContact OD2-CG2 3.24Å; D856-T859 WeakPolarHBondContact OD2-CG2 3.44Å; D856-T859 PolarHBondContact OD2-OG1 3.1Å; D856-F890 HydrophobicContact CB-CE2 4.37Å
857	G	98.2	Very high	97.5	Very high	8 Å²	8	41.4 Å²	41.4	8%	0.082	20%	0.199	C	C	.	.	S	Bend	trans	84	-2.5	176.6	0	0	0	0	0	115.5	P399 L400 R604 Y720 D855	P399-G857 CarbonylContact C-O 3.47Å; P399-G857 WeakPolarHBondContact CA-O 3.46Å; L400-G857 PolarHBondContact N-O 2.89Å; R604-G857 PolarHBondContact NH2-O 2.77Å; Y720-G857 WeakPolarHBondContact OH-CA 3.36Å; D855-G857 PolarHBondContact O-N 2.62Å; D855-G857 WeakPolarHBondContact OD1-CA 3.43Å; D855-G857 PolarHBondContact OD1-N 2.96Å
858	H	98.4	Very high	97.5	Very high	77 Å²	77	39.3 Å²	39.3	36%	0.356	19%	0.186	S	C	.	.	S	Bend	trans	-149.4	-22.2	-172.8	66.5	93.8	0	0	0	116.4	E603 R604 D856	E603-H858 VanDerWaalsContact CD-ND1 3.26Å; E603-H858 IonicContact OE1-CE1 3.24Å; E603-H858 PolarHBondContact OE1-CE1 3.29Å; E603-H858 VanDerWaalsContact OE1-CE1 3.28Å; E603-H858 IonicContact OE1-ND1 2.75Å; E603-H858 PolarHBondContact OE1-ND1 3.07Å; E603-H858 IonicContact OE2-CE1 3.73Å; E603-H858 IonicContact OE2-CG 3.3Å; E603-H858 IonicContact OE2-ND1 2.88Å; E603-H858 PolarHBondContact OE2-ND1 2.73Å; R604-H858 WeakPolarHBondContact CB-O 3.49Å; R604-H858 VanDerWaalsContact CG-O 3.32Å; R604-H858 WeakPolarHBondContact CG-O 3.38Å; R604-H858 PolarHBondContact N-O 3.11Å; D856-H858 PolarHBondContact O-CD2 3.34Å; D856-H858 VanDerWaalsContact O-CD2 3.22Å; D856-H858 IonicContact OD1-CD2 2.82Å; D856-H858 PolarHBondContact OD1-N 3.16Å
859	T	98.6	Very high	97.5	Very high	6 Å²	6	40 Å²	40	4%	0.037	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-98.3	172.9	-177.1	82.7	0	0	0	0	113.2	V602 R604 D856 N861 Y862	V602-T859 HydrophobicContact CG1-CG2 3.96Å; V602-T859 CarbonylContact O-C 3.51Å; V602-T859 WeakPolarHBondContact O-CA 3.4Å; V602-T859 VanDerWaalsContact O-CB 3.27Å; V602-T859 WeakPolarHBondContact O-CB 3.19Å; R604-T859 WeakPolarHBondContact CD-O 3.29Å; R604-T859 PolarHBondContact NH1-O 3.13Å; D856-T859 PolarHBondContact OD1-N 3.15Å; D856-T859 PolarHBondContact OD1-OG1 3.46Å; D856-T859 WeakPolarHBondContact OD2-CB 3.34Å; D856-T859 VanDerWaalsContact OD2-CG2 3.24Å; D856-T859 WeakPolarHBondContact OD2-CG2 3.44Å; D856-T859 PolarHBondContact OD2-OG1 3.1Å; T859-N861 VanDerWaalsContact C-N 3.26Å; T859-N861 WeakPolarHBondContact OG1-CB 3.18Å; T859-N861 PolarHBondContact OG1-N 3.32Å; T859-N861 PolarHBondContact OG1-ND2 2.86Å; T859-Y862 WeakPolarHBondContact O-CD1 3.04Å
860	F	98.5	Very high	97.4	Very high	47 Å²	47	36.2 Å²	36.2	21%	0.206	17%	0.171	C	C	.	.	S	Bend	trans	-81	7.3	167.4	-69.7	-77.4	0	0	0	114.3	V596 V602 E603 R604 Y862 E863	V596-F860 HydrophobicContact CG1-CE2 4.19Å; V596-F860 HydrophobicContact CG2-CE2 3.98Å; V596-F860 HydrophobicContact CG2-CZ 4.26Å; V602-F860 PolarHBondContact O-N 2.83Å; E603-F860 WeakPolarHBondContact O-CE2 3.16Å; R604-F860 HydrophobicContact CB-CE2 4.36Å; R604-F860 HydrophobicContact CB-CZ 4.27Å; R604-F860 HydrophobicContact CG-CD1 3.98Å; R604-F860 HydrophobicContact CG-CD2 4.04Å; R604-F860 HydrophobicContact CG-CE1 3.87Å; R604-F860 HydrophobicContact CG-CE2 3.95Å; R604-F860 HydrophobicContact CG-CG 4.05Å; R604-F860 HydrophobicContact CG-CZ 3.86Å; F860-Y862 HydrophobicContact CB-CE1 4.48Å; F860-Y862 AromaticContact CD1-CE1 3.9Å; F860-Y862 HydrophobicContact CD1-CE1 3.9Å; F860-Y862 PolarHBondContact O-N 2.97Å; F860-Y862 VanDerWaalsContact O-N 3.11Å; F860-E863 WeakPolarHBondContact O-CB 2.93Å; F860-E863 PolarHBondContact O-N 3.36Å
861	N	97.8	Very high	97.5	Very high	29 Å²	29	39.1 Å²	39.1	16%	0.155	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64.6	-18.4	-176.4	-70.2	-24.8	0	0	0	114	T859 E863 K864 K865 E866	T859-N861 VanDerWaalsContact C-N 3.26Å; T859-N861 WeakPolarHBondContact OG1-CB 3.18Å; T859-N861 PolarHBondContact OG1-N 3.32Å; T859-N861 PolarHBondContact OG1-ND2 2.86Å; N861-E863 PolarHBondContact O-N 2.66Å; N861-K864 CarbonylContact O-C 3.53Å; N861-K864 WeakPolarHBondContact O-CA 2.95Å; N861-K864 WeakPolarHBondContact O-CB 3.27Å; N861-K864 PolarHBondContact O-N 3.33Å; N861-K864 PolarHBondContact OD1-NZ 2.66Å; N861-K865 PolarHBondContact O-N 3.19Å; N861-E866 HydrophobicContact CB-CB 3.93Å; N861-E866 HydrophobicContact CB-CG 4.21Å; N861-E866 WeakPolarHBondContact CB-OE2 3.46Å; N861-E866 PolarHBondContact ND2-OE2 2.71Å; N861-E866 WeakPolarHBondContact O-CB 3.41Å; N861-E866 PolarHBondContact O-N 3.1Å; N861-E866 VanDerWaalsContact O-N 3.11Å
862	Y	96	Very high	97.5	Very high	10 Å²	10	35.8 Å²	35.8	4%	0.039	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-57.4	-31.2	169.5	73.7	-83.6	0	0	0	112.7	F397 Y727 Y853 T859 F860 K864 K865 L867	F397-Y862 HydrophobicContact CD1-CD1 4.23Å; F397-Y862 HydrophobicContact CD1-CD2 4.43Å; F397-Y862 HydrophobicContact CD1-CE1 4.09Å; F397-Y862 HydrophobicContact CD1-CE2 4.27Å; F397-Y862 HydrophobicContact CD1-CG 4.41Å; Y727-Y862 HydrophobicContact CD1-CE2 4.39Å; Y727-Y862 AromaticContact CE1-CE2 3.62Å; Y727-Y862 HydrophobicContact CE1-CE2 3.62Å; Y727-Y862 AromaticContact CZ-CE2 3.7Å; Y727-Y862 PolarHBondContact OH-OH 3.44Å; Y853-Y862 WeakPolarHBondContact OH-CB 3.38Å; T859-Y862 WeakPolarHBondContact O-CD1 3.04Å; F860-Y862 HydrophobicContact CB-CE1 4.48Å; F860-Y862 AromaticContact CD1-CE1 3.9Å; F860-Y862 HydrophobicContact CD1-CE1 3.9Å; F860-Y862 PolarHBondContact O-N 2.97Å; F860-Y862 VanDerWaalsContact O-N 3.11Å; Y862-K864 PolarHBondContact O-N 3.05Å; Y862-K865 PolarHBondContact O-N 3.07Å; Y862-L867 WeakPolarHBondContact O-CD2 3.49Å
863	E	94.1	Very high	97.5	Very high	116 Å²	116	37 Å²	37	54%	0.542	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-66.2	-25.2	174.2	-60	-175.6	169.8	0	0	112.2	F860 N861 K865	F860-E863 WeakPolarHBondContact O-CB 2.93Å; F860-E863 PolarHBondContact O-N 3.36Å; N861-E863 PolarHBondContact O-N 2.66Å; E863-K865 VanDerWaalsContact C-N 3.27Å
864	K	94.1	Very high	97.5	Very high	141 Å²	141	37.3 Å²	37.3	61%	0.613	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-90.2	14.1	174	-55	173.9	-167.2	151.3	0	112.5	N861 Y862 E866	N861-K864 CarbonylContact O-C 3.53Å; N861-K864 WeakPolarHBondContact O-CA 2.95Å; N861-K864 WeakPolarHBondContact O-CB 3.27Å; N861-K864 PolarHBondContact O-N 3.33Å; N861-K864 PolarHBondContact OD1-NZ 2.66Å; Y862-K864 PolarHBondContact O-N 3.05Å; K864-E866 VanDerWaalsContact C-N 3.31Å; K864-E866 PolarHBondContact O-N 2.84Å
865	K	94.1	Very high	97.5	Very high	93 Å²	93	38.5 Å²	38.5	40%	0.404	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	32.4	-176.7	-58.3	-69.4	-171.3	168.3	0	113.5	N861 Y862 E863 L867 E885 A888 Q889	N861-K865 PolarHBondContact O-N 3.19Å; Y862-K865 PolarHBondContact O-N 3.07Å; E863-K865 VanDerWaalsContact C-N 3.27Å; K865-L867 VanDerWaalsContact C-N 3.35Å; K865-L867 PolarHBondContact O-N 2.85Å; K865-E885 IonicContact NZ-OE1 3.77Å; K865-E885 PolarHBondContact NZ-OE1 2.84Å; K865-E885 IonicContact NZ-OE2 2.87Å; K865-E885 PolarHBondContact NZ-OE2 3.24Å; K865-A888 HydrophobicContact CB-CB 4.32Å; K865-A888 CarbonylContact O-C 3.59Å; K865-A888 VanDerWaalsContact O-CA 3.24Å; K865-A888 WeakPolarHBondContact O-CA 3.29Å; K865-A888 VanDerWaalsContact O-CB 3.22Å; K865-A888 WeakPolarHBondContact O-CB 3.48Å; K865-Q889 PolarHBondContact O-N 2.86Å
866	E	97.2	Very high	97.4	Very high	70 Å²	70	45.9 Å²	45.9	33%	0.327	23%	0.228	S	C	.	.			trans	-91.3	70.3	167.1	-61.1	-174.3	-165.2	0	0	110.1	N861 K864 F890	N861-E866 HydrophobicContact CB-CB 3.93Å; N861-E866 HydrophobicContact CB-CG 4.21Å; N861-E866 WeakPolarHBondContact CB-OE2 3.46Å; N861-E866 PolarHBondContact ND2-OE2 2.71Å; N861-E866 WeakPolarHBondContact O-CB 3.41Å; N861-E866 PolarHBondContact O-N 3.1Å; N861-E866 VanDerWaalsContact O-N 3.11Å; K864-E866 VanDerWaalsContact C-N 3.31Å; K864-E866 PolarHBondContact O-N 2.84Å; E866-F890 HydrophobicContact CB-CD2 4.22Å
867	L	97.2	Very high	97.3	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	23%	0.229	C	C	.	.			trans	-150.3	169.2	-179.9	66.5	91.3	0	0	0	111.6	Y853 I854 D855 Y862 K865 H869 E885 A888	Y853-L867 HydrophobicContact CE2-CB 3.92Å; Y853-L867 HydrophobicContact CE2-CD1 4.08Å; Y853-L867 HydrophobicContact CE2-CD2 4.07Å; Y853-L867 HydrophobicContact CE2-CG 4.24Å; I854-L867 CarbonylContact O-C 3.49Å; I854-L867 WeakPolarHBondContact O-CA 3.27Å; D855-L867 HydrophobicContact CB-CB 4.24Å; Y862-L867 WeakPolarHBondContact O-CD2 3.49Å; K865-L867 VanDerWaalsContact C-N 3.35Å; K865-L867 PolarHBondContact O-N 2.85Å; L867-H869 HydrophobicContact CD1-CB 3.95Å; L867-E885 HydrophobicContact CD1-CB 4.14Å; L867-E885 HydrophobicContact CD1-CG 4.09Å; L867-A888 WeakPolarHBondContact O-CB 3.45Å
868	I	98	Very high	97.4	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.1	167.9	-68	164.5	0	0	0	107.4	Y853 I854 R870 F890 T892	Y853-I868 WeakPolarHBondContact CA-O 3.49Å; I854-I868 HydrophobicContact CB-CB 4.18Å; I854-I868 HydrophobicContact CD1-CG2 4.41Å; I854-I868 PolarHBondContact N-O 2.98Å; I854-I868 PolarHBondContact O-N 2.87Å; I868-R870 HydrophobicContact CG2-CG 3.68Å; I868-F890 HydrophobicContact CD1-CD1 3.8Å; I868-F890 HydrophobicContact CG1-CB 4.25Å; I868-F890 HydrophobicContact CG1-CD1 3.98Å; I868-T892 HydrophobicContact CD1-CG2 3.61Å
869	H	97.8	Very high	97.4	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.083	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	103.1	176.2	-170.9	-170.9	0	0	0	110.2	Y724 E851 L867 D883 L884 E885	Y724-H869 AromaticContact CE1-CE1 3.71Å; Y724-H869 AromaticContact CE1-ND1 3.79Å; E851-H869 IonicContact OE2-CD2 2.87Å; E851-H869 IonicContact OE2-CE1 3.77Å; E851-H869 PolarHBondContact OE2-CE1 3.2Å; E851-H869 IonicContact OE2-NE2 2.74Å; E851-H869 PolarHBondContact OE2-NE2 2.58Å; L867-H869 HydrophobicContact CD1-CB 3.95Å; H869-D883 VanDerWaalsContact O-OD1 3.13Å; H869-L884 HydrophobicContact CB-CB 4.36Å; H869-L884 WeakPolarHBondContact O-CB 3.42Å; H869-L884 PolarHBondContact O-N 3.01Å; H869-E885 HydrophobicContact CB-CG 4.19Å
870	R	98.3	Very high	97.3	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134	-174.6	-50.2	-55.4	-60.5	173.8	7.3	110.7	E851 L852 I868 F872 S881 V882 D883 A941 G942 A943 D944	E851-R870 CarbonylContact C-O 3.55Å; E851-R870 WeakPolarHBondContact CA-O 3.19Å; L852-R870 HydrophobicContact CB-CB 4.29Å; L852-R870 PolarHBondContact N-O 3.32Å; L852-R870 PolarHBondContact O-N 3.21Å; I868-R870 HydrophobicContact CG2-CG 3.68Å; R870-F872 HydrophobicContact CB-CE1 4.24Å; R870-F872 HydrophobicContact CB-CZ 4.05Å; R870-S881 PolarHBondContact NE-OG 3.09Å; R870-S881 VanDerWaalsContact NE-OG 3.11Å; R870-S881 VanDerWaalsContact NH2-C 3.32Å; R870-S881 PolarHBondContact NH2-O 3.46Å; R870-S881 PolarHBondContact NH2-OG 3.16Å; R870-V882 VanDerWaalsContact CZ-C 3.48Å; R870-D883 VanDerWaalsContact CZ-N 3.28Å; R870-D883 IonicContact CZ-OD2 3.92Å; R870-D883 IonicContact NH1-OD2 3.18Å; R870-D883 PolarHBondContact NH1-OD2 3.4Å; R870-A941 WeakPolarHBondContact CG-O 3.21Å; R870-G942 PolarHBondContact NH1-O 3.22Å; R870-G942 VanDerWaalsContact NH1-O 3.13Å; R870-A943 PolarHBondContact NH2-O 2.69Å; R870-D944 IonicContact CZ-OD1 3.62Å; R870-D944 IonicContact NH1-OD1 3.37Å; R870-D944 PolarHBondContact NH1-OD1 3.17Å; R870-D944 IonicContact NH2-OD1 2.77Å; R870-D944 PolarHBondContact NH2-OD1 3.43Å
871	K	98.6	Very high	97.3	Very high	68 Å²	68	42.7 Å²	42.7	30%	0.296	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.5	159.2	-176.2	171	178.4	176	0	109.5	E849 S873 S881 V882 L884	E849-K871 VanDerWaalsContact OE1-CE 3.26Å; E849-K871 WeakPolarHBondContact OE1-CE 3.48Å; E849-K871 IonicContact OE1-NZ 2.82Å; E849-K871 PolarHBondContact OE1-NZ 3.1Å; E849-K871 IonicContact OE2-NZ 3.61Å; K871-S873 VanDerWaalsContact CE-OG 3.29Å; K871-S873 WeakPolarHBondContact CE-OG 3.32Å; K871-S881 WeakPolarHBondContact O-CA 3.31Å; K871-V882 PolarHBondContact N-O 2.81Å; K871-V882 PolarHBondContact O-N 3.35Å; K871-L884 HydrophobicContact CB-CD1 4.01Å; K871-L884 HydrophobicContact CB-CD2 3.79Å; K871-L884 HydrophobicContact CB-CG 3.87Å; K871-L884 HydrophobicContact CD-CD2 4.39Å
872	F	98.8	Very high	97.3	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.1	167.3	-55.7	-61.5	0	0	0	110	I817 L838 E849 G850 L852 R870 S880 S881 W945	I817-F872 HydrophobicContact CB-CB 4.31Å; I817-F872 HydrophobicContact CD1-CB 3.67Å; I817-F872 HydrophobicContact CG2-CB 4.01Å; I817-F872 HydrophobicContact CG2-CD2 4.11Å; I817-F872 HydrophobicContact CG2-CG 4.32Å; L838-F872 HydrophobicContact CD1-CD1 4.19Å; L838-F872 HydrophobicContact CD1-CE1 4.06Å; L838-F872 HydrophobicContact CD1-CZ 4.25Å; L838-F872 HydrophobicContact CD2-CD2 4.38Å; L838-F872 HydrophobicContact CD2-CE2 3.83Å; L838-F872 HydrophobicContact CD2-CZ 3.98Å; E849-F872 WeakPolarHBondContact CA-O 3.39Å; G850-F872 PolarHBondContact N-O 2.83Å; G850-F872 VanDerWaalsContact N-O 3.12Å; G850-F872 PolarHBondContact O-N 3.15Å; L852-F872 HydrophobicContact CB-CE2 3.54Å; L852-F872 HydrophobicContact CB-CZ 3.94Å; L852-F872 HydrophobicContact CD2-CE2 4.3Å; L852-F872 HydrophobicContact CD2-CZ 4.02Å; R870-F872 HydrophobicContact CB-CE1 4.24Å; R870-F872 HydrophobicContact CB-CZ 4.05Å; F872-S880 VanDerWaalsContact CA-O 3.28Å; F872-S880 WeakPolarHBondContact CA-O 3.29Å; F872-S881 VanDerWaalsContact CE1-OG 3.31Å; F872-S881 WeakPolarHBondContact CE1-OG 3.2Å; F872-W945 HydrophobicContact CD1-CH2 4.18Å; F872-W945 AromaticContact CD1-CZ2 4Å; F872-W945 HydrophobicContact CD1-CZ2 4Å; F872-W945 HydrophobicContact CE1-CH2 4.29Å; F872-W945 AromaticContact CE1-CZ2 3.67Å; F872-W945 HydrophobicContact CE1-CZ2 3.67Å
873	S	98.8	Very high	97.3	Very high	26 Å²	26	45.8 Å²	45.8	18%	0.182	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	128.3	176.6	-56.8	0	0	0	0	111	A848 K871 L879 S880	A848-S873 CarbonylContact O-C 3.57Å; A848-S873 WeakPolarHBondContact O-CA 3.33Å; K871-S873 VanDerWaalsContact CE-OG 3.29Å; K871-S873 WeakPolarHBondContact CE-OG 3.32Å; S873-L879 CarbonylContact O-C 3.57Å; S873-L879 WeakPolarHBondContact O-CA 3.13Å; S873-S880 PolarHBondContact N-O 3.03Å; S873-S880 PolarHBondContact O-N 3.06Å; S873-S880 PolarHBondContact O-OG 3.39Å
874	F	98.8	Very high	97.4	Very high	10 Å²	10	43.8 Å²	43.8	4%	0.044	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121	171.8	-170.3	-80.7	0	0	0	109.8	I817 V840 L842 R846 T847 A848 V878 L879 I901 L949	I817-F874 HydrophobicContact CD1-CB 4.39Å; V840-F874 HydrophobicContact CG1-CB 3.98Å; V840-F874 HydrophobicContact CG1-CD2 4.25Å; V840-F874 HydrophobicContact CG1-CG 4.17Å; L842-F874 HydrophobicContact CD1-CE1 4.03Å; L842-F874 HydrophobicContact CD1-CZ 4.46Å; L842-F874 HydrophobicContact CD2-CB 4.31Å; L842-F874 HydrophobicContact CD2-CD1 3.29Å; L842-F874 HydrophobicContact CD2-CE1 3.64Å; L842-F874 HydrophobicContact CD2-CG 3.8Å; L842-F874 HydrophobicContact CD2-CZ 4.41Å; R846-F874 WeakPolarHBondContact O-CD1 3.49Å; T847-F874 VanDerWaalsContact CA-O 3.25Å; T847-F874 WeakPolarHBondContact CA-O 3.49Å; A848-F874 HydrophobicContact CB-CB 4.21Å; A848-F874 PolarHBondContact N-O 3.09Å; A848-F874 PolarHBondContact O-N 3.34Å; F874-V878 CarbonylContact C-O 3.51Å; F874-V878 VanDerWaalsContact CA-O 3.25Å; F874-V878 WeakPolarHBondContact CA-O 3.26Å; F874-L879 HydrophobicContact CB-CD1 4.08Å; F874-L879 HydrophobicContact CD2-CB 3.86Å; F874-L879 HydrophobicContact CD2-CD1 4.33Å; F874-L879 HydrophobicContact CE2-CB 4.49Å; F874-I901 HydrophobicContact CD2-CD1 4.29Å; F874-I901 HydrophobicContact CE2-CD1 3.82Å; F874-L949 HydrophobicContact CE2-CD1 3.81Å; F874-L949 HydrophobicContact CE2-CG 4.38Å; F874-L949 HydrophobicContact CZ-CD1 3.77Å
875	A	98.1	Very high	97.4	Very high	38 Å²	38	39.4 Å²	39.4	31%	0.314	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	147	171.7	0	0	0	0	0	110.3	T847 G877 V878	T847-A875 HydrophobicContact CG2-CB 3.99Å; A875-G877 PolarHBondContact O-N 3.44Å; A875-G877 VanDerWaalsContact O-N 3.15Å; A875-V878 PolarHBondContact N-O 3.39Å; A875-V878 WeakPolarHBondContact O-CB 3.3Å; A875-V878 PolarHBondContact O-N 3.44Å
876	N	96.1	Very high	97.2	Very high	164 Å²	164	39.5 Å²	39.5	88%	0.877	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.1	175.5	-56.6	-42.9	0	0	0	114.1	V878	N876-V878 VanDerWaalsContact C-N 3.27Å; N876-V878 PolarHBondContact O-N 2.93Å
877	G	96.9	Very high	96.9	Very high	17 Å²	17	43.2 Å²	43.2	18%	0.175	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	9	-177.8	0	0	0	0	0	114.5	A875 L949	A875-G877 PolarHBondContact O-N 3.44Å; A875-G877 VanDerWaalsContact O-N 3.15Å; G877-L949 WeakPolarHBondContact O-CB 3.48Å; G877-L949 WeakPolarHBondContact O-CG 3.28Å; G877-L949 PolarHBondContact O-N 2.9Å
878	V	98.3	Very high	96.6	Very high	49 Å²	49	44 Å²	44	30%	0.297	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.6	-176.8	-178.3	0	0	0	0	110	F874 A875 N876 T946 V947 T948	F874-V878 CarbonylContact C-O 3.51Å; F874-V878 VanDerWaalsContact CA-O 3.25Å; F874-V878 WeakPolarHBondContact CA-O 3.26Å; A875-V878 PolarHBondContact N-O 3.39Å; A875-V878 WeakPolarHBondContact O-CB 3.3Å; A875-V878 PolarHBondContact O-N 3.44Å; N876-V878 VanDerWaalsContact C-N 3.27Å; N876-V878 PolarHBondContact O-N 2.93Å; V878-T946 HydrophobicContact CG1-CG2 3.25Å; V878-V947 CarbonylContact C-O 3.56Å; V878-V947 WeakPolarHBondContact CA-O 3.44Å; V878-T948 HydrophobicContact CG2-CG2 4.25Å
879	L	98.6	Very high	96.3	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.1	166.3	-177	62.4	0	0	0	109.2	I817 V840 S873 F874 I899 W945 T946 V947	I817-L879 HydrophobicContact CD1-CD1 3.69Å; V840-L879 HydrophobicContact CG2-CD1 4.28Å; V840-L879 HydrophobicContact CG2-CD2 4.29Å; S873-L879 CarbonylContact O-C 3.57Å; S873-L879 WeakPolarHBondContact O-CA 3.13Å; F874-L879 HydrophobicContact CB-CD1 4.08Å; F874-L879 HydrophobicContact CD2-CB 3.86Å; F874-L879 HydrophobicContact CD2-CD1 4.33Å; F874-L879 HydrophobicContact CE2-CB 4.49Å; L879-I899 HydrophobicContact CD2-CD1 3.94Å; L879-I899 HydrophobicContact CD2-CG1 4.4Å; L879-I899 HydrophobicContact CD2-CG2 3.92Å; L879-W945 HydrophobicContact CB-CZ3 4.48Å; L879-W945 HydrophobicContact CD2-CH2 3.84Å; L879-W945 HydrophobicContact CD2-CZ3 3.82Å; L879-W945 HydrophobicContact CG-CH2 4.02Å; L879-W945 HydrophobicContact CG-CZ3 3.78Å; L879-T946 CarbonylContact O-C 3.49Å; L879-T946 VanDerWaalsContact O-CA 3.3Å; L879-T946 WeakPolarHBondContact O-CA 3.2Å; L879-V947 HydrophobicContact CB-CB 4.27Å; L879-V947 PolarHBondContact N-O 3.47Å; L879-V947 PolarHBondContact O-N 2.96Å
880	S	98.3	Very high	96.1	Very high	30 Å²	30	53.2 Å²	53.2	21%	0.21	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.9	177	56.8	0	0	0	0	111.4	F872 S873 W945	F872-S880 VanDerWaalsContact CA-O 3.28Å; F872-S880 WeakPolarHBondContact CA-O 3.29Å; S873-S880 PolarHBondContact N-O 3.03Å; S873-S880 PolarHBondContact O-N 3.06Å; S873-S880 PolarHBondContact O-OG 3.39Å; S880-W945 WeakPolarHBondContact CA-O 3.33Å
881	S	98.4	Very high	96	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.6	163.1	-175.9	0	0	0	0	109.1	R870 K871 F872 D944 W945	R870-S881 PolarHBondContact NE-OG 3.09Å; R870-S881 VanDerWaalsContact NE-OG 3.11Å; R870-S881 VanDerWaalsContact NH2-C 3.32Å; R870-S881 PolarHBondContact NH2-O 3.46Å; R870-S881 PolarHBondContact NH2-OG 3.16Å; K871-S881 WeakPolarHBondContact O-CA 3.31Å; F872-S881 VanDerWaalsContact CE1-OG 3.31Å; F872-S881 WeakPolarHBondContact CE1-OG 3.2Å; S881-D944 WeakPolarHBondContact O-CA 3.19Å; S881-W945 PolarHBondContact N-O 2.88Å; S881-W945 PolarHBondContact O-N 2.93Å
882	V	97.9	Very high	95.8	Very high	73 Å²	73	57 Å²	57	44%	0.442	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.1	178.3	-179.6	0	0	0	0	109.2	R870 K871	R870-V882 VanDerWaalsContact CZ-C 3.48Å; K871-V882 PolarHBondContact N-O 2.81Å; K871-V882 PolarHBondContact O-N 3.35Å
883	D	95.9	Very high	95.8	Very high	31 Å²	31	64.1 Å²	64.1	17%	0.166	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	128.7	172.5	-139.9	-46.4	0	0	0	111	H869 R870 E885 P886 D944	H869-D883 VanDerWaalsContact O-OD1 3.13Å; R870-D883 VanDerWaalsContact CZ-N 3.28Å; R870-D883 IonicContact CZ-OD2 3.92Å; R870-D883 IonicContact NH1-OD2 3.18Å; R870-D883 PolarHBondContact NH1-OD2 3.4Å; D883-E885 VanDerWaalsContact C-N 3.33Å; D883-E885 PolarHBondContact OD1-N 2.62Å; D883-P886 HydrophobicContact CB-CB 4.36Å; D883-D944 PolarHBondContact N-OD1 2.68Å; D883-D944 VanDerWaalsContact N-OD1 3.16Å
884	L	96.3	Very high	95.7	Very high	73 Å²	73	62.9 Å²	62.9	38%	0.382	35%	0.349	S	S	.	.	S	Bend	trans	-83.3	-16.1	169.2	-63.2	-178.8	0	0	0	111.6	H869 K871 P886	H869-L884 HydrophobicContact CB-CB 4.36Å; H869-L884 WeakPolarHBondContact O-CB 3.42Å; H869-L884 PolarHBondContact O-N 3.01Å; K871-L884 HydrophobicContact CB-CD1 4.01Å; K871-L884 HydrophobicContact CB-CD2 3.79Å; K871-L884 HydrophobicContact CB-CG 3.87Å; K871-L884 HydrophobicContact CD-CD2 4.39Å; L884-P886 VanDerWaalsContact C-CD 3.49Å
885	E	93.8	Very high	95.7	Very high	49 Å²	49	66.5 Å²	66.5	23%	0.229	36%	0.362	C	S	.	.			trans	-130.2	60.3	-178.1	-70.8	-77.9	-178.5	0	0	111.3	K865 L867 H869 D883 N887 A888	K865-E885 IonicContact NZ-OE1 3.77Å; K865-E885 PolarHBondContact NZ-OE1 2.84Å; K865-E885 IonicContact NZ-OE2 2.87Å; K865-E885 PolarHBondContact NZ-OE2 3.24Å; L867-E885 HydrophobicContact CD1-CB 4.14Å; L867-E885 HydrophobicContact CD1-CG 4.09Å; H869-E885 HydrophobicContact CB-CG 4.19Å; D883-E885 VanDerWaalsContact C-N 3.33Å; D883-E885 PolarHBondContact OD1-N 2.62Å; E885-N887 PolarHBondContact O-N 2.58Å; E885-A888 HydrophobicContact CB-CB 4.05Å; E885-A888 VanDerWaalsContact O-CB 3.22Å; E885-A888 WeakPolarHBondContact O-CB 3.31Å; E885-A888 PolarHBondContact O-N 2.84Å
886	P	89.6	Confident	95.7	Very high	96 Å²	96	64.7 Å²	64.7	62%	0.623	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12	-172.4	27.3	-37	0	0	0	115	D883 L884	D883-P886 HydrophobicContact CB-CB 4.36Å; L884-P886 VanDerWaalsContact C-CD 3.49Å
887	N	90.9	Very high	95.8	Very high	148 Å²	148	58.3 Å²	58.3	79%	0.791	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-4.6	176.5	-61.5	-46.5	0	0	0	113	E885	E885-N887 PolarHBondContact O-N 2.58Å
888	A	91.5	Very high	95.9	Very high	22 Å²	22	60 Å²	60	18%	0.182	31%	0.313	C	S	.	.			trans	-69.5	148.3	178.1	0	0	0	0	0	111.4	K865 L867 E885	K865-A888 HydrophobicContact CB-CB 4.32Å; K865-A888 CarbonylContact O-C 3.59Å; K865-A888 VanDerWaalsContact O-CA 3.24Å; K865-A888 WeakPolarHBondContact O-CA 3.29Å; K865-A888 VanDerWaalsContact O-CB 3.22Å; K865-A888 WeakPolarHBondContact O-CB 3.48Å; L867-A888 WeakPolarHBondContact O-CB 3.45Å; E885-A888 HydrophobicContact CB-CB 4.05Å; E885-A888 VanDerWaalsContact O-CB 3.22Å; E885-A888 WeakPolarHBondContact O-CB 3.31Å; E885-A888 PolarHBondContact O-N 2.84Å
889	Q	89.8	Confident	95.9	Very high	165 Å²	165	57.7 Å²	57.7	77%	0.771	30%	0.299	S	S	*	.			trans	-112.4	80.2	-176.9	-62.9	-165.8	7.2	0	0	109.9	K865	K865-Q889 PolarHBondContact O-N 2.86Å
890	F	95.4	Very high	95.9	Very high	53 Å²	53	58.1 Å²	58.1	23%	0.232	30%	0.301	C	S	.	.			trans	-145.7	142.1	173.6	-166.3	-100	0	0	0	110.7	I854 D856 E866 I868	I854-F890 HydrophobicContact CG2-CE1 4.07Å; D856-F890 HydrophobicContact CB-CE2 4.37Å; E866-F890 HydrophobicContact CB-CD2 4.22Å; I868-F890 HydrophobicContact CD1-CD1 3.8Å; I868-F890 HydrophobicContact CG1-CB 4.25Å; I868-F890 HydrophobicContact CG1-CD1 3.98Å
891	T	94.6	Very high	95.9	Very high	134 Å²	134	56.8 Å²	56.8	82%	0.822	29%	0.292	S	S	*	.			trans	-124	129.1	178.3	61.3	0	0	0	0	109.6
892	T	96.3	Very high	95.9	Very high	14 Å²	14	56.7 Å²	56.7	9%	0.086	29%	0.291	C	S	.	.			trans	-105.4	144.5	174.6	-173.3	0	0	0	0	111.5	I854 I868 S894 N940 A941	I854-T892 HydrophobicContact CD1-CG2 4.17Å; I868-T892 HydrophobicContact CD1-CG2 3.61Å; T892-S894 VanDerWaalsContact C-N 3.33Å; T892-S894 WeakPolarHBondContact OG1-CB 3.12Å; T892-S894 PolarHBondContact OG1-N 3.19Å; T892-N940 PolarHBondContact O-ND2 2.8Å; T892-A941 HydrophobicContact CG2-CB 4.24Å
893	K	97.3	Very high	95.8	Very high	150 Å²	150	54.4 Å²	54.4	65%	0.652	28%	0.282	S	S	*	.			trans	-83.3	-12.4	167.8	-68	176.5	-174.5	162.4	0	112.3	H833 W895	H833-K893 HydrophobicContact CB-CB 4.31Å; K893-W895 VanDerWaalsContact O-CE3 3.25Å
894	S	98	Very high	95.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.			trans	-69.8	147.4	179.3	-68.9	0	0	0	0	111.7	E832 D834 Y836 T892 A941	E832-S894 PolarHBondContact O-OG 3.16Å; D834-S894 WeakPolarHBondContact O-CB 3.07Å; D834-S894 PolarHBondContact O-OG 2.97Å; Y836-S894 VanDerWaalsContact CE2-CB 3.47Å; T892-S894 VanDerWaalsContact C-N 3.33Å; T892-S894 WeakPolarHBondContact OG1-CB 3.12Å; T892-S894 PolarHBondContact OG1-N 3.19Å; S894-A941 WeakPolarHBondContact O-CB 3.34Å; S894-A941 PolarHBondContact O-N 3.23Å
895	W	98	Very high	95.7	Very high	86 Å²	86	52.4 Å²	52.4	33%	0.326	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-133.5	166.5	178.9	66.5	95.3	0	0	0	110.5	P835 Y836 K893 M939	P835-W895 CarbonylContact C-O 3.52Å; P835-W895 WeakPolarHBondContact CA-O 3.24Å; P835-W895 HydrophobicContact CB-CD2 3.76Å; P835-W895 VanDerWaalsContact CB-CE2 3.5Å; P835-W895 HydrophobicContact CB-CE3 4.34Å; P835-W895 HydrophobicContact CB-CG 4.03Å; P835-W895 HydrophobicContact CB-CH2 4.44Å; P835-W895 HydrophobicContact CB-CZ2 3.88Å; P835-W895 WeakPolarHBondContact CB-O 3.41Å; P835-W895 HydrophobicContact CG-CH2 4.26Å; P835-W895 HydrophobicContact CG-CZ2 3.73Å; Y836-W895 PolarHBondContact N-O 3.02Å; K893-W895 VanDerWaalsContact O-CE3 3.25Å; W895-M939 CarbonylContact C-O 3.22Å; W895-M939 WeakPolarHBondContact CA-O 3.45Å; W895-M939 WeakPolarHBondContact CB-O 3.5Å
896	V	98.4	Very high	95.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	110	171	-176.6	0	0	0	0	108.6	L838 I899 G938 M939 W945	L838-V896 HydrophobicContact CD1-CG1 4.19Å; L838-V896 HydrophobicContact CD1-CG2 4.4Å; L838-V896 HydrophobicContact CG-CG1 4.07Å; V896-I899 HydrophobicContact CG1-CD1 4.5Å; V896-I899 HydrophobicContact CG1-CG1 3.94Å; V896-G938 PolarHBondContact O-N 3.4Å; V896-M939 HydrophobicContact CB-CG 3.79Å; V896-M939 HydrophobicContact CB-SD 4.14Å; V896-M939 HydrophobicContact CG2-CG 3.94Å; V896-M939 HydrophobicContact CG2-SD 4.47Å; V896-M939 PolarHBondContact N-O 3.48Å; V896-W945 HydrophobicContact CG2-CZ2 4.14Å
897	E	97.8	Very high	96.1	Very high	29 Å²	29	53.1 Å²	53.1	14%	0.136	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-18.2	179.7	67.7	165.7	-167.2	0	0	113.5	R823 P835 Y836 K936 P937	R823-E897 IonicContact CZ-OE2 3.83Å; R823-E897 IonicContact NE-OE2 3.35Å; R823-E897 PolarHBondContact NE-OE2 3.44Å; R823-E897 VanDerWaalsContact NE-OE2 3.12Å; R823-E897 IonicContact NH2-OE2 3.82Å; R823-E897 PolarHBondContact NH2-OE2 3.37Å; P835-E897 HydrophobicContact CB-CB 3.76Å; P835-E897 HydrophobicContact CB-CG 3.78Å; P835-E897 HydrophobicContact CG-CB 4Å; P835-E897 VanDerWaalsContact CG-CD 3.49Å; P835-E897 HydrophobicContact CG-CG 3.78Å; P835-E897 VanDerWaalsContact CG-OE2 3.28Å; P835-E897 WeakPolarHBondContact CG-OE2 3.5Å; Y836-E897 PolarHBondContact O-N 3.1Å; E897-K936 VanDerWaalsContact O-CA 3.28Å; E897-K936 WeakPolarHBondContact O-CA 3.45Å; E897-K936 PolarHBondContact O-N 2.87Å; E897-P937 WeakPolarHBondContact O-CD 3.32Å
898	R	98.4	Very high	96.4	Very high	54 Å²	54	50.6 Å²	50.6	20%	0.204	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	143.8	-172.9	-176.5	155.6	30.2	82.4	14.8	112.1	T837 L838 I900 T933 I934	T837-R898 VanDerWaalsContact CA-O 3.27Å; T837-R898 WeakPolarHBondContact CA-O 3.24Å; T837-R898 HydrophobicContact CG2-CB 4.06Å; T837-R898 HydrophobicContact CG2-CG 4.07Å; T837-R898 VanDerWaalsContact OG1-CZ 3.24Å; T837-R898 PolarHBondContact OG1-NH1 3.35Å; T837-R898 PolarHBondContact OG1-NH2 2.77Å; L838-R898 PolarHBondContact N-O 3.17Å; R898-I900 HydrophobicContact CG-CG1 4.16Å; R898-T933 HydrophobicContact CG-CG2 4.21Å; R898-I934 WeakPolarHBondContact CA-O 2.89Å
899	I	98.7	Very high	96.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.5	173.1	-59.4	159.7	0	0	0	107.2	L838 V840 L879 V896 I901 T933 I934 P937 V947	L838-I899 HydrophobicContact CB-CG1 4.42Å; L838-I899 HydrophobicContact CD1-CG1 4.46Å; V840-I899 HydrophobicContact CG2-CG2 4.14Å; L879-I899 HydrophobicContact CD2-CD1 3.94Å; L879-I899 HydrophobicContact CD2-CG1 4.4Å; L879-I899 HydrophobicContact CD2-CG2 3.92Å; V896-I899 HydrophobicContact CG1-CD1 4.5Å; V896-I899 HydrophobicContact CG1-CG1 3.94Å; I899-I901 HydrophobicContact CG2-CD1 4.16Å; I899-I901 HydrophobicContact CG2-CG1 3.78Å; I899-T933 WeakPolarHBondContact O-CA 3.18Å; I899-I934 HydrophobicContact CB-CB 4.28Å; I899-I934 HydrophobicContact CB-CD1 4.42Å; I899-I934 PolarHBondContact N-O 3.38Å; I899-I934 VanDerWaalsContact N-O 3.08Å; I899-I934 PolarHBondContact O-N 3.39Å; I899-P937 HydrophobicContact CD1-CB 4.42Å; I899-P937 HydrophobicContact CD1-CG 3.92Å; I899-P937 HydrophobicContact CG1-CG 4.16Å; I899-V947 HydrophobicContact CD1-CG2 4.13Å
900	I	98.6	Very high	97	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.056	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.5	177.2	-59.7	176.2	0	0	0	107	T837 L838 Y839 V840 R898 L902 V931 L932	T837-I900 HydrophobicContact CG2-CD1 4.03Å; T837-I900 HydrophobicContact CG2-CG1 4.25Å; L838-I900 PolarHBondContact O-N 2.87Å; Y839-I900 HydrophobicContact CD1-CB 4.17Å; Y839-I900 HydrophobicContact CD1-CD1 4.27Å; Y839-I900 HydrophobicContact CD1-CG2 4.25Å; Y839-I900 HydrophobicContact CE1-CB 4.33Å; Y839-I900 HydrophobicContact CE1-CD1 3.59Å; Y839-I900 HydrophobicContact CE1-CG2 4.35Å; Y839-I900 HydrophobicContact CE2-CD1 4.37Å; V840-I900 PolarHBondContact N-O 2.81Å; R898-I900 HydrophobicContact CG-CG1 4.16Å; I900-L902 HydrophobicContact CG2-CD2 3.87Å; I900-V931 HydrophobicContact CG2-CG1 3.81Å; I900-L932 CarbonylContact C-O 3.48Å; I900-L932 WeakPolarHBondContact CA-O 3.38Å
901	I	98.7	Very high	97.1	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.9	-178.4	-45.9	-172.8	0	0	0	109	V840 L842 F874 I899 A904 V931 L932 I934 L949	V840-I901 HydrophobicContact CB-CB 4.35Å; V840-I901 HydrophobicContact CB-CG1 4.11Å; V840-I901 HydrophobicContact CB-CG2 4.15Å; V840-I901 HydrophobicContact CG1-CG2 4.03Å; V840-I901 HydrophobicContact CG2-CG1 4.38Å; V840-I901 CarbonylContact O-C 3.31Å; V840-I901 WeakPolarHBondContact O-CA 3.28Å; L842-I901 HydrophobicContact CD1-CG2 3.78Å; L842-I901 HydrophobicContact CD2-CG2 4.17Å; L842-I901 HydrophobicContact CG-CG2 3.8Å; F874-I901 HydrophobicContact CD2-CD1 4.29Å; F874-I901 HydrophobicContact CE2-CD1 3.82Å; I899-I901 HydrophobicContact CG2-CD1 4.16Å; I899-I901 HydrophobicContact CG2-CG1 3.78Å; I901-A904 HydrophobicContact CB-CB 4.13Å; I901-A904 HydrophobicContact CG2-CB 3.9Å; I901-V931 WeakPolarHBondContact O-CA 3.5Å; I901-L932 HydrophobicContact CB-CB 4.27Å; I901-L932 HydrophobicContact CD1-CD2 4.24Å; I901-L932 PolarHBondContact N-O 3.19Å; I901-L932 PolarHBondContact O-N 2.88Å; I901-I934 HydrophobicContact CD1-CD1 4.47Å; I901-L949 HydrophobicContact CD1-CD1 4.03Å
902	L	98.4	Very high	97.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.1	179.3	-45	179.7	0	0	0	109.8	F785 F790 V840 A841 L842 I900 A904 V931	F785-L902 HydrophobicContact CB-CD1 3.76Å; F785-L902 HydrophobicContact CD1-CB 3.81Å; F785-L902 HydrophobicContact CD1-CD1 4.12Å; F785-L902 HydrophobicContact CE1-CB 3.8Å; F785-L902 HydrophobicContact CG-CB 4.21Å; F785-L902 HydrophobicContact CG-CD1 3.9Å; F785-L902 HydrophobicContact CZ-CB 4.19Å; F790-L902 HydrophobicContact CB-CD2 4.14Å; F790-L902 HydrophobicContact CD1-CD1 4.13Å; F790-L902 HydrophobicContact CD1-CD2 3.66Å; F790-L902 HydrophobicContact CD2-CD2 4.42Å; F790-L902 HydrophobicContact CE1-CD2 4.15Å; F790-L902 HydrophobicContact CG-CD2 3.82Å; V840-L902 PolarHBondContact O-N 3.33Å; A841-L902 HydrophobicContact CB-CD1 4.24Å; L842-L902 WeakPolarHBondContact CB-O 3.31Å; L842-L902 WeakPolarHBondContact CG-O 3.17Å; L842-L902 PolarHBondContact N-O 2.84Å; L842-L902 VanDerWaalsContact N-O 3.1Å; I900-L902 HydrophobicContact CG2-CD2 3.87Å; L902-A904 VanDerWaalsContact C-N 3.31Å; L902-V931 HydrophobicContact CD2-CG1 4.1Å; L902-V931 HydrophobicContact CD2-CG2 3.8Å
903	G	95.9	Very high	97.3	Very high	24 Å²	24	41.3 Å²	41.3	25%	0.247	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	19.5	-176	0	0	0	0	0	113.9	S930	G903-S930 CarbonylContact C-O 3.58Å; G903-S930 WeakPolarHBondContact CA-O 3.41Å; G903-S930 PolarHBondContact N-O 3.06Å
904	A	95.1	Very high	97.2	Very high	6 Å²	6	35.8 Å²	35.8	5%	0.05	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-76.7	159.3	179.8	0	0	0	0	0	112.4	I901 L902 F925 S930 L932	I901-A904 HydrophobicContact CB-CB 4.13Å; I901-A904 HydrophobicContact CG2-CB 3.9Å; L902-A904 VanDerWaalsContact C-N 3.31Å; A904-F925 HydrophobicContact CB-CE2 4.48Å; A904-F925 WeakPolarHBondContact O-CE2 3.49Å; A904-S930 PolarHBondContact N-O 2.8Å; A904-L932 HydrophobicContact CB-CB 3.76Å
905	S	94.3	Very high	96.7	Very high	56 Å²	56	40.8 Å²	40.8	39%	0.392	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-96.6	153.5	162.7	-59.2	0	0	0	0	109.7	R846 P907	R846-S905 PolarHBondContact NH1-OG 3.25Å; R846-S905 PolarHBondContact NH2-OG 3Å; S905-P907 VanDerWaalsContact O-CD 3.23Å; S905-P907 WeakPolarHBondContact O-CD 3.3Å
906	K	96.5	Very high	96.2	Very high	152 Å²	152	44.4 Å²	44.4	66%	0.661	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-63.5	116.4	177	-172.1	173.6	179.9	174.6	0	110	F925	K906-F925 HydrophobicContact CB-CD1 3.54Å; K906-F925 HydrophobicContact CB-CD2 4.35Å; K906-F925 HydrophobicContact CB-CE1 3.69Å; K906-F925 HydrophobicContact CB-CE2 4.5Å; K906-F925 HydrophobicContact CB-CG 3.88Å; K906-F925 HydrophobicContact CB-CZ 4.18Å; K906-F925 HydrophobicContact CD-CD1 4.01Å; K906-F925 HydrophobicContact CG-CB 4.09Å; K906-F925 HydrophobicContact CG-CD1 3.83Å; K906-F925 HydrophobicContact CG-CE1 4.46Å; K906-F925 HydrophobicContact CG-CG 3.98Å
907	P	96.7	Very high	95.8	Very high	9 Å²	9	46 Å²	46	6%	0.058	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-75.3	155.2	174.4	31.2	-31.5	0	0	0	110.4	S905 V910 F923 L932 L949	S905-P907 VanDerWaalsContact O-CD 3.23Å; S905-P907 WeakPolarHBondContact O-CD 3.3Å; P907-V910 HydrophobicContact CB-CG2 4.14Å; P907-V910 HydrophobicContact CG-CG2 3.69Å; P907-F923 HydrophobicContact CG-CD1 4.41Å; P907-F923 HydrophobicContact CG-CD2 3.95Å; P907-F923 HydrophobicContact CG-CE1 4.16Å; P907-F923 HydrophobicContact CG-CE2 3.68Å; P907-F923 HydrophobicContact CG-CG 4.31Å; P907-F923 HydrophobicContact CG-CZ 3.8Å; P907-F923 WeakPolarHBondContact O-CZ 3.46Å; P907-L932 HydrophobicContact CG-CD1 3.87Å; P907-L932 HydrophobicContact CG-CD2 3.91Å; P907-L949 HydrophobicContact CB-CB 4.19Å
908	S	96.8	Very high	95.6	Very high	94 Å²	94	50.3 Å²	50.3	66%	0.657	29%	0.29	S	S	*	.	S	Bend	trans	-79.4	-35.5	168	61.6	0	0	0	0	111.3	Q950	S908-Q950 PolarHBondContact N-O 3.48Å; S908-Q950 PolarHBondContact OG-O 3.36Å
909	M	96.4	Very high	95.4	Very high	51 Å²	51	52.5 Å²	52.5	25%	0.251	31%	0.305	S	S	.	.			trans	-151.1	149.2	179.6	-177.6	165.4	57.4	0	0	110.2	T911 Q920 Q950	M909-T911 HydrophobicContact CE-CG2 4.17Å; M909-T911 HydrophobicContact CG-CG2 4.02Å; M909-T911 HydrophobicContact SD-CG2 4.11Å; M909-Q920 HydrophobicContact CG-CG 4.07Å; M909-Q920 HydrophobicContact SD-CG 4.33Å; M909-Q950 HydrophobicContact CB-CB 4.37Å; M909-Q950 PolarHBondContact O-N 3Å
910	V	97.8	Very high	95.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.6	172.4	179.8	0	0	0	0	108.1	P907 Q920 L921 F923 I934 V947 T948 L949	P907-V910 HydrophobicContact CB-CG2 4.14Å; P907-V910 HydrophobicContact CG-CG2 3.69Å; V910-Q920 WeakPolarHBondContact O-CA 3.32Å; V910-L921 HydrophobicContact CB-CB 4.36Å; V910-L921 HydrophobicContact CG1-CB 4.01Å; V910-L921 HydrophobicContact CG1-CD1 4.31Å; V910-L921 PolarHBondContact O-N 2.93Å; V910-F923 HydrophobicContact CB-CD1 4.11Å; V910-F923 HydrophobicContact CG2-CB 4.29Å; V910-F923 HydrophobicContact CG2-CD1 3.45Å; V910-F923 VanDerWaalsContact CG2-CD1 3.45Å; V910-F923 HydrophobicContact CG2-CE1 3.93Å; V910-F923 HydrophobicContact CG2-CG 3.95Å; V910-I934 HydrophobicContact CG1-CD1 3.84Å; V910-I934 HydrophobicContact CG1-CG1 4.33Å; V910-I934 HydrophobicContact CG1-CG2 4.44Å; V910-V947 HydrophobicContact CG1-CG1 3.61Å; V910-T948 WeakPolarHBondContact CA-O 3.46Å; V910-L949 HydrophobicContact CB-CD2 4.4Å; V910-L949 HydrophobicContact CG1-CD2 3.98Å; V910-L949 HydrophobicContact CG2-CD2 3.71Å
911	T	97.3	Very high	95.1	Very high	9 Å²	9	59.3 Å²	59.3	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.5	175.3	68.1	0	0	0	0	111.2	M909 E918 N919 V947 T948	M909-T911 HydrophobicContact CE-CG2 4.17Å; M909-T911 HydrophobicContact CG-CG2 4.02Å; M909-T911 HydrophobicContact SD-CG2 4.11Å; T911-E918 VanDerWaalsContact CB-OE1 3.25Å; T911-E918 WeakPolarHBondContact CB-OE1 3.46Å; T911-E918 PolarHBondContact OG1-OE1 3.13Å; T911-N919 CarbonylContact C-O 3.51Å; T911-N919 WeakPolarHBondContact CA-O 3.49Å; T911-V947 CarbonylContact O-C 3.56Å; T911-V947 VanDerWaalsContact O-CA 3.25Å; T911-V947 WeakPolarHBondContact O-CA 3.47Å; T911-T948 PolarHBondContact N-O 3.05Å; T911-T948 PolarHBondContact O-N 3.09Å
912	L	97.3	Very high	94.9	Very high	9 Å²	9	67 Å²	67	5%	0.047	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.8	174.6	165.1	64.4	0	0	0	108.7	T914 E918 N919 L921 P937 M939 W945 T946 V947	L912-T914 HydrophobicContact CD1-CG2 3.91Å; L912-T914 HydrophobicContact CD2-CG2 4.08Å; L912-T914 HydrophobicContact CG-CG2 3.92Å; L912-E918 CarbonylContact O-C 3.54Å; L912-E918 VanDerWaalsContact O-CA 3.24Å; L912-E918 WeakPolarHBondContact O-CA 3.46Å; L912-N919 PolarHBondContact N-O 2.86Å; L912-N919 PolarHBondContact O-N 2.85Å; L912-L921 HydrophobicContact CB-CD1 3.78Å; L912-L921 HydrophobicContact CB-CD2 4.15Å; L912-L921 HydrophobicContact CB-CG 3.85Å; L912-L921 HydrophobicContact CD2-CD1 4.48Å; L912-L921 HydrophobicContact CD2-CD2 4.2Å; L912-P937 WeakPolarHBondContact CD2-O 3.46Å; L912-M939 HydrophobicContact CD1-CE 3.24Å; L912-M939 HydrophobicContact CD1-SD 4.18Å; L912-M939 HydrophobicContact CD2-CE 3.19Å; L912-M939 HydrophobicContact CG-CE 3.78Å; L912-W945 HydrophobicContact CD1-CB 4.12Å; L912-T946 CarbonylContact C-O 3.55Å; L912-T946 WeakPolarHBondContact CA-O 3.44Å; L912-V947 HydrophobicContact CD1-CG2 3.87Å
913	K	97.1	Very high	94.8	Very high	125 Å²	125	69.3 Å²	69.3	54%	0.543	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.2	170.1	-174.2	176.9	179.1	179.5	0	110.1	G917 W945 T946	K913-G917 WeakPolarHBondContact CA-O 3.36Å; K913-W945 WeakPolarHBondContact O-CA 3.35Å; K913-T946 PolarHBondContact N-O 3.19Å; K913-T946 PolarHBondContact O-N 2.77Å
914	T	94.2	Very high	94.9	Very high	34 Å²	34	72 Å²	72	21%	0.209	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-177.7	170.4	68.8	0	0	0	0	109.6	L912 D916 G917 W945	L912-T914 HydrophobicContact CD1-CG2 3.91Å; L912-T914 HydrophobicContact CD2-CG2 4.08Å; L912-T914 HydrophobicContact CG-CG2 3.92Å; T914-D916 PolarHBondContact O-N 3.47Å; T914-D916 PolarHBondContact OG1-N 3.31Å; T914-G917 PolarHBondContact N-O 3.05Å; T914-G917 PolarHBondContact O-N 2.89Å; T914-W945 HydrophobicContact CG2-CB 4.2Å
915	A	89	Confident	95	Very high	105 Å²	105	74.2 Å²	74.2	87%	0.868	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.5	170.8	0	0	0	0	0	113.1
916	D	86.5	Confident	95.1	Very high	161 Å²	161	74.5 Å²	74.5	86%	0.861	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.4	-175.7	-56.3	-50.7	0	0	0	113.7	T914	T914-D916 PolarHBondContact O-N 3.47Å; T914-D916 PolarHBondContact OG1-N 3.31Å
917	G	90.3	Very high	95	Very high	34 Å²	34	70.8 Å²	70.8	35%	0.351	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137.2	-165.1	178.5	0	0	0	0	0	113.9	K913 T914	K913-G917 WeakPolarHBondContact CA-O 3.36Å; T914-G917 PolarHBondContact N-O 3.05Å; T914-G917 PolarHBondContact O-N 2.89Å
918	E	93.6	Very high	94.8	Very high	120 Å²	120	75.3 Å²	75.3	56%	0.561	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.7	178.8	-174	172.3	-179.6	0	0	110.6	T911 L912	T911-E918 VanDerWaalsContact CB-OE1 3.25Å; T911-E918 WeakPolarHBondContact CB-OE1 3.46Å; T911-E918 PolarHBondContact OG1-OE1 3.13Å; L912-E918 CarbonylContact O-C 3.54Å; L912-E918 VanDerWaalsContact O-CA 3.24Å; L912-E918 WeakPolarHBondContact O-CA 3.46Å
919	N	93.8	Very high	94.5	Very high	100 Å²	100	74.5 Å²	74.5	54%	0.535	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.6	-179.5	-66.2	-60.5	0	0	0	110.9	T911 L912	T911-N919 CarbonylContact C-O 3.51Å; T911-N919 WeakPolarHBondContact CA-O 3.49Å; L912-N919 PolarHBondContact N-O 2.86Å; L912-N919 PolarHBondContact O-N 2.85Å
920	Q	94.9	Very high	94.5	Very high	135 Å²	135	74.4 Å²	74.4	63%	0.631	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	138.3	172.7	-171.2	176.3	-6.3	0	0	110.6	M909 V910	M909-Q920 HydrophobicContact CG-CG 4.07Å; M909-Q920 HydrophobicContact SD-CG 4.33Å; V910-Q920 WeakPolarHBondContact O-CA 3.32Å
921	L	95.6	Very high	94.5	Very high	19 Å²	19	74.8 Å²	74.8	10%	0.099	42%	0.421	C	S	.	.			trans	-107.6	146.9	177.4	-61.3	-175.5	0	0	0	111.9	V910 L912 I934 P937 V947	V910-L921 HydrophobicContact CB-CB 4.36Å; V910-L921 HydrophobicContact CG1-CB 4.01Å; V910-L921 HydrophobicContact CG1-CD1 4.31Å; V910-L921 PolarHBondContact O-N 2.93Å; L912-L921 HydrophobicContact CB-CD1 3.78Å; L912-L921 HydrophobicContact CB-CD2 4.15Å; L912-L921 HydrophobicContact CB-CG 3.85Å; L912-L921 HydrophobicContact CD2-CD1 4.48Å; L912-L921 HydrophobicContact CD2-CD2 4.2Å; L921-I934 HydrophobicContact CB-CG2 3.92Å; L921-I934 HydrophobicContact CD1-CG2 3.58Å; L921-I934 HydrophobicContact CG-CG2 4.4Å; L921-P937 HydrophobicContact CD1-CB 4.08Å; L921-V947 HydrophobicContact CD1-CG2 4.44Å
922	E	95.3	Very high	94.5	Very high	164 Å²	164	74.4 Å²	74.4	77%	0.766	42%	0.419	S	S	*	.			trans	-79.3	144.6	169.5	-66.7	-177.6	172.6	0	0	111.1	R935	E922-R935 PolarHBondContact O-N 3.3Å
923	F	97.2	Very high	94.6	Very high	49 Å²	49	75.3 Å²	75.3	22%	0.215	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.4	178.7	67.2	-89.2	0	0	0	112.4	P907 V910 L932 T933 I934	P907-F923 HydrophobicContact CG-CD1 4.41Å; P907-F923 HydrophobicContact CG-CD2 3.95Å; P907-F923 HydrophobicContact CG-CE1 4.16Å; P907-F923 HydrophobicContact CG-CE2 3.68Å; P907-F923 HydrophobicContact CG-CG 4.31Å; P907-F923 HydrophobicContact CG-CZ 3.8Å; P907-F923 WeakPolarHBondContact O-CZ 3.46Å; V910-F923 HydrophobicContact CB-CD1 4.11Å; V910-F923 HydrophobicContact CG2-CB 4.29Å; V910-F923 HydrophobicContact CG2-CD1 3.45Å; V910-F923 VanDerWaalsContact CG2-CD1 3.45Å; V910-F923 HydrophobicContact CG2-CE1 3.93Å; V910-F923 HydrophobicContact CG2-CG 3.95Å; F923-L932 HydrophobicContact CB-CD1 3.8Å; F923-L932 HydrophobicContact CD2-CD1 3.43Å; F923-L932 VanDerWaalsContact CD2-CD1 3.43Å; F923-L932 HydrophobicContact CE2-CD1 4.31Å; F923-L932 HydrophobicContact CG-CD1 3.88Å; F923-T933 CarbonylContact C-O 3.57Å; F923-T933 VanDerWaalsContact CA-O 3.24Å; F923-T933 WeakPolarHBondContact CA-O 3.35Å; F923-I934 HydrophobicContact CB-CG1 4.26Å
924	D	97.5	Very high	94.6	Very high	79 Å²	79	69.4 Å²	69.4	42%	0.422	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.7	168.4	-62.8	-42.1	0	0	0	109	T933 R935	D924-T933 PolarHBondContact N-O 3.45Å; D924-T933 PolarHBondContact O-N 2.79Å; D924-R935 IonicContact OD2-CZ 3.41Å; D924-R935 IonicContact OD2-NE 2.68Å; D924-R935 PolarHBondContact OD2-NE 3.4Å; D924-R935 IonicContact OD2-NH2 2.77Å; D924-R935 PolarHBondContact OD2-NH2 2.87Å
925	F	97.7	Very high	94.4	Very high	53 Å²	53	74.8 Å²	74.8	23%	0.232	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.6	175.4	-179.1	-103	0	0	0	111.4	A904 K906 A927 V931 L932	A904-F925 HydrophobicContact CB-CE2 4.48Å; A904-F925 WeakPolarHBondContact O-CE2 3.49Å; K906-F925 HydrophobicContact CB-CD1 3.54Å; K906-F925 HydrophobicContact CB-CD2 4.35Å; K906-F925 HydrophobicContact CB-CE1 3.69Å; K906-F925 HydrophobicContact CB-CE2 4.5Å; K906-F925 HydrophobicContact CB-CG 3.88Å; K906-F925 HydrophobicContact CB-CZ 4.18Å; K906-F925 HydrophobicContact CD-CD1 4.01Å; K906-F925 HydrophobicContact CG-CB 4.09Å; K906-F925 HydrophobicContact CG-CD1 3.83Å; K906-F925 HydrophobicContact CG-CE1 4.46Å; K906-F925 HydrophobicContact CG-CG 3.98Å; F925-A927 HydrophobicContact CD1-CB 4.21Å; F925-A927 VanDerWaalsContact CE1-CA 3.44Å; F925-A927 HydrophobicContact CE1-CB 3.79Å; F925-V931 WeakPolarHBondContact CA-O 3.43Å; F925-L932 HydrophobicContact CB-CD1 4.33Å; F925-L932 HydrophobicContact CD2-CB 4.12Å; F925-L932 HydrophobicContact CD2-CD1 4.38Å
926	D	96.4	Very high	94.6	Very high	62 Å²	62	78.5 Å²	78.5	33%	0.332	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108.3	169.5	-169.8	-33	0	0	0	109.7	S928 M929 S930 V931	D926-S928 VanDerWaalsContact C-N 3.31Å; D926-S928 PolarHBondContact O-N 3.01Å; D926-S928 WeakPolarHBondContact OD1-CA 3.33Å; D926-S928 WeakPolarHBondContact OD1-CB 3.33Å; D926-S928 PolarHBondContact OD1-N 3.25Å; D926-S928 PolarHBondContact OD1-OG 2.95Å; D926-M929 HydrophobicContact CB-CE 4.41Å; D926-M929 PolarHBondContact OD1-N 3.01Å; D926-M929 WeakPolarHBondContact OD2-CE 3.44Å; D926-S930 VanDerWaalsContact O-CA 3.26Å; D926-S930 WeakPolarHBondContact O-CA 3.44Å; D926-S930 PolarHBondContact O-N 2.88Å; D926-V931 HydrophobicContact CB-CB 4.5Å; D926-V931 PolarHBondContact N-O 2.95Å; D926-V931 PolarHBondContact O-N 3.01Å; D926-V931 VanDerWaalsContact O-N 3.11Å
927	A	93.9	Very high	94.8	Very high	75 Å²	75	71.3 Å²	71.3	62%	0.62	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.4	179.9	0	0	0	0	0	113.7	F925	F925-A927 HydrophobicContact CD1-CB 4.21Å; F925-A927 VanDerWaalsContact CE1-CA 3.44Å; F925-A927 HydrophobicContact CE1-CB 3.79Å
928	S	92.4	Very high	94.9	Very high	104 Å²	104	72 Å²	72	73%	0.727	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-36.7	-179.4	72.2	0	0	0	0	111.8	D926	D926-S928 VanDerWaalsContact C-N 3.31Å; D926-S928 PolarHBondContact O-N 3.01Å; D926-S928 WeakPolarHBondContact OD1-CA 3.33Å; D926-S928 WeakPolarHBondContact OD1-CB 3.33Å; D926-S928 PolarHBondContact OD1-N 3.25Å; D926-S928 PolarHBondContact OD1-OG 2.95Å
929	M	91.1	Very high	94.9	Very high	77 Å²	77	66.9 Å²	66.9	38%	0.379	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-7.3	179.5	-60.9	-170.5	-75.3	0	0	113.4	T789 F790 D926 V931	T789-M929 VanDerWaalsContact O-SD 3.32Å; F790-M929 HydrophobicContact CB-SD 4.39Å; F790-M929 HydrophobicContact CD2-CE 4.49Å; F790-M929 HydrophobicContact CD2-SD 4.43Å; D926-M929 HydrophobicContact CB-CE 4.41Å; D926-M929 PolarHBondContact OD1-N 3.01Å; D926-M929 WeakPolarHBondContact OD2-CE 3.44Å; M929-V931 VanDerWaalsContact C-N 3.32Å; M929-V931 HydrophobicContact CB-CB 4.45Å; M929-V931 HydrophobicContact CB-CG2 3.73Å; M929-V931 PolarHBondContact O-N 2.65Å
930	S	95.5	Very high	95.1	Very high	49 Å²	49	65.3 Å²	65.3	34%	0.343	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	46.4	-172	-57.8	0	0	0	0	112.4	G903 A904 D926	G903-S930 CarbonylContact C-O 3.58Å; G903-S930 WeakPolarHBondContact CA-O 3.41Å; G903-S930 PolarHBondContact N-O 3.06Å; A904-S930 PolarHBondContact N-O 2.8Å; D926-S930 VanDerWaalsContact O-CA 3.26Å; D926-S930 WeakPolarHBondContact O-CA 3.44Å; D926-S930 PolarHBondContact O-N 2.88Å
931	V	97.8	Very high	95.2	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.6	-178.2	177.4	0	0	0	0	110	F790 I900 I901 L902 F925 D926 M929	F790-V931 HydrophobicContact CB-CG2 3.96Å; F790-V931 HydrophobicContact CD2-CG2 4.05Å; F790-V931 HydrophobicContact CG-CG2 4.21Å; I900-V931 HydrophobicContact CG2-CG1 3.81Å; I901-V931 WeakPolarHBondContact O-CA 3.5Å; L902-V931 HydrophobicContact CD2-CG1 4.1Å; L902-V931 HydrophobicContact CD2-CG2 3.8Å; F925-V931 WeakPolarHBondContact CA-O 3.43Å; D926-V931 HydrophobicContact CB-CB 4.5Å; D926-V931 PolarHBondContact N-O 2.95Å; D926-V931 PolarHBondContact O-N 3.01Å; D926-V931 VanDerWaalsContact O-N 3.11Å; M929-V931 VanDerWaalsContact C-N 3.32Å; M929-V931 HydrophobicContact CB-CB 4.45Å; M929-V931 HydrophobicContact CB-CG2 3.73Å; M929-V931 PolarHBondContact O-N 2.65Å
932	L	98.3	Very high	95.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.1	174.1	177.6	66.8	0	0	0	109.7	I900 I901 A904 P907 F923 F925 I934 L949	I900-L932 CarbonylContact C-O 3.48Å; I900-L932 WeakPolarHBondContact CA-O 3.38Å; I901-L932 HydrophobicContact CB-CB 4.27Å; I901-L932 HydrophobicContact CD1-CD2 4.24Å; I901-L932 PolarHBondContact N-O 3.19Å; I901-L932 PolarHBondContact O-N 2.88Å; A904-L932 HydrophobicContact CB-CB 3.76Å; P907-L932 HydrophobicContact CG-CD1 3.87Å; P907-L932 HydrophobicContact CG-CD2 3.91Å; F923-L932 HydrophobicContact CB-CD1 3.8Å; F923-L932 HydrophobicContact CD2-CD1 3.43Å; F923-L932 VanDerWaalsContact CD2-CD1 3.43Å; F923-L932 HydrophobicContact CE2-CD1 4.31Å; F923-L932 HydrophobicContact CG-CD1 3.88Å; F925-L932 HydrophobicContact CB-CD1 4.33Å; F925-L932 HydrophobicContact CD2-CB 4.12Å; F925-L932 HydrophobicContact CD2-CD1 4.38Å; L932-I934 HydrophobicContact CD2-CD1 4.45Å; L932-I934 HydrophobicContact CD2-CG1 4.44Å; L932-I934 HydrophobicContact CG-CG1 4.31Å; L932-L949 HydrophobicContact CD2-CD1 3.77Å; L932-L949 HydrophobicContact CD2-CD2 3.87Å; L932-L949 HydrophobicContact CD2-CG 4.48Å
933	T	98.3	Very high	95.2	Very high	29 Å²	29	53 Å²	53	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.2	174.6	-60.6	0	0	0	0	110	R898 I899 F923 D924 R935	R898-T933 HydrophobicContact CG-CG2 4.21Å; I899-T933 WeakPolarHBondContact O-CA 3.18Å; F923-T933 CarbonylContact C-O 3.57Å; F923-T933 VanDerWaalsContact CA-O 3.24Å; F923-T933 WeakPolarHBondContact CA-O 3.35Å; D924-T933 PolarHBondContact N-O 3.45Å; D924-T933 PolarHBondContact O-N 2.79Å; T933-R935 HydrophobicContact CG2-CG 4.06Å
934	I	98	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.8	173.6	-54.7	166.5	0	0	0	107.5	R898 I899 I901 V910 L921 F923 L932 P937 V947 L949	R898-I934 WeakPolarHBondContact CA-O 2.89Å; I899-I934 HydrophobicContact CB-CB 4.28Å; I899-I934 HydrophobicContact CB-CD1 4.42Å; I899-I934 PolarHBondContact N-O 3.38Å; I899-I934 VanDerWaalsContact N-O 3.08Å; I899-I934 PolarHBondContact O-N 3.39Å; I901-I934 HydrophobicContact CD1-CD1 4.47Å; V910-I934 HydrophobicContact CG1-CD1 3.84Å; V910-I934 HydrophobicContact CG1-CG1 4.33Å; V910-I934 HydrophobicContact CG1-CG2 4.44Å; L921-I934 HydrophobicContact CB-CG2 3.92Å; L921-I934 HydrophobicContact CD1-CG2 3.58Å; L921-I934 HydrophobicContact CG-CG2 4.4Å; F923-I934 HydrophobicContact CB-CG1 4.26Å; L932-I934 HydrophobicContact CD2-CD1 4.45Å; L932-I934 HydrophobicContact CD2-CG1 4.44Å; L932-I934 HydrophobicContact CG-CG1 4.31Å; I934-P937 HydrophobicContact CG2-CG 4.15Å; I934-V947 HydrophobicContact CD1-CG1 3.93Å; I934-L949 HydrophobicContact CD1-CD2 4.13Å
935	R	89.8	Confident	95.2	Very high	148 Å²	148	51.5 Å²	51.5	56%	0.558	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	141.6	-174.8	-62.5	-171.9	-171.7	-135.3	3.5	111.1	E922 D924 T933	E922-R935 PolarHBondContact O-N 3.3Å; D924-R935 IonicContact OD2-CZ 3.41Å; D924-R935 IonicContact OD2-NE 2.68Å; D924-R935 PolarHBondContact OD2-NE 3.4Å; D924-R935 IonicContact OD2-NH2 2.77Å; D924-R935 PolarHBondContact OD2-NH2 2.87Å; T933-R935 HydrophobicContact CG2-CG 4.06Å
936	K	91.8	Very high	95.2	Very high	182 Å²	182	51.1 Å²	51.1	79%	0.791	30%	0.299	S	S	*	.			trans	50.6	51.2	175.8	-56.8	177.7	180	175.7	0	114.9	E897 G938	E897-K936 VanDerWaalsContact O-CA 3.28Å; E897-K936 WeakPolarHBondContact O-CA 3.45Å; E897-K936 PolarHBondContact O-N 2.87Å; K936-G938 VanDerWaalsContact C-N 3.29Å; K936-G938 PolarHBondContact O-N 2.85Å
937	P	91.1	Very high	95.3	Very high	10 Å²	10	48.3 Å²	48.3	7%	0.065	28%	0.284	C	S	.	.			trans	-58.8	-40.3	173	-18.3	32	0	0	0	112.4	E897 I899 L912 L921 I934 M939	E897-P937 WeakPolarHBondContact O-CD 3.32Å; I899-P937 HydrophobicContact CD1-CB 4.42Å; I899-P937 HydrophobicContact CD1-CG 3.92Å; I899-P937 HydrophobicContact CG1-CG 4.16Å; L912-P937 WeakPolarHBondContact CD2-O 3.46Å; L921-P937 HydrophobicContact CD1-CB 4.08Å; I934-P937 HydrophobicContact CG2-CG 4.15Å; P937-M939 VanDerWaalsContact C-N 3.32Å; P937-M939 HydrophobicContact CB-CE 3.14Å; P937-M939 HydrophobicContact CB-SD 3.9Å; P937-M939 WeakPolarHBondContact O-CE 3.4Å; P937-M939 PolarHBondContact O-N 2.81Å
938	G	92.5	Very high	95.5	Very high	50 Å²	50	46.7 Å²	46.7	52%	0.515	27%	0.267	S	S	.	.			trans	78.7	2.1	166.7	0	0	0	0	0	116.6	V896 K936	V896-G938 PolarHBondContact O-N 3.4Å; K936-G938 VanDerWaalsContact C-N 3.29Å; K936-G938 PolarHBondContact O-N 2.85Å
939	M	94.8	Very high	95.8	Very high	11 Å²	11	43 Å²	43	5%	0.054	24%	0.239	C	C	.	.			trans	-66.6	141.1	174.8	54.8	-127.3	41.7	0	0	112.3	W895 V896 L912 P937 A941 W945	W895-M939 CarbonylContact C-O 3.22Å; W895-M939 WeakPolarHBondContact CA-O 3.45Å; W895-M939 WeakPolarHBondContact CB-O 3.5Å; V896-M939 HydrophobicContact CB-CG 3.79Å; V896-M939 HydrophobicContact CB-SD 4.14Å; V896-M939 HydrophobicContact CG2-CG 3.94Å; V896-M939 HydrophobicContact CG2-SD 4.47Å; V896-M939 PolarHBondContact N-O 3.48Å; L912-M939 HydrophobicContact CD1-CE 3.24Å; L912-M939 HydrophobicContact CD1-SD 4.18Å; L912-M939 HydrophobicContact CD2-CE 3.19Å; L912-M939 HydrophobicContact CG-CE 3.78Å; P937-M939 VanDerWaalsContact C-N 3.32Å; P937-M939 HydrophobicContact CB-CE 3.14Å; P937-M939 HydrophobicContact CB-SD 3.9Å; P937-M939 WeakPolarHBondContact O-CE 3.4Å; P937-M939 PolarHBondContact O-N 2.81Å; M939-A941 PolarHBondContact O-N 2.99Å; M939-W945 HydrophobicContact CB-CB 4.44Å; M939-W945 HydrophobicContact CB-CG 4Å; M939-W945 HydrophobicContact CG-CD2 3.99Å; M939-W945 HydrophobicContact CG-CG 3.87Å; M939-W945 HydrophobicContact CG-CZ2 4.46Å; M939-W945 HydrophobicContact SD-CB 4.49Å; M939-W945 HydrophobicContact SD-CD2 3.37Å; M939-W945 HydrophobicContact SD-CE3 3.72Å; M939-W945 HydrophobicContact SD-CG 3.73Å; M939-W945 HydrophobicContact SD-CH2 4.28Å; M939-W945 HydrophobicContact SD-CZ2 3.96Å; M939-W945 HydrophobicContact SD-CZ3 4.16Å
940	N	96.7	Very high	95.8	Very high	67 Å²	67	46.1 Å²	46.1	36%	0.358	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-58.2	136.8	169.1	-170.7	-69.7	0	0	0	110.1	T892 G942 A943	T892-N940 PolarHBondContact O-ND2 2.8Å; N940-G942 PolarHBondContact O-N 3Å; N940-G942 WeakPolarHBondContact OD1-CA 3.23Å; N940-G942 PolarHBondContact OD1-N 3.36Å; N940-A943 HydrophobicContact CB-CB 4.13Å; N940-A943 PolarHBondContact O-N 2.88Å
941	A	96.9	Very high	95.8	Very high	1 Å²	1	46 Å²	46	1%	0.008	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.5	-177	0	0	0	0	0	113.1	Y836 L852 I854 R870 T892 S894 M939	Y836-A941 HydrophobicContact CD2-CB 3.74Å; Y836-A941 HydrophobicContact CE2-CB 3.88Å; L852-A941 HydrophobicContact CD2-CB 4.49Å; I854-A941 HydrophobicContact CD1-CB 4.22Å; R870-A941 WeakPolarHBondContact CG-O 3.21Å; T892-A941 HydrophobicContact CG2-CB 4.24Å; S894-A941 WeakPolarHBondContact O-CB 3.34Å; S894-A941 PolarHBondContact O-N 3.23Å; M939-A941 PolarHBondContact O-N 2.99Å
942	G	96.1	Very high	95.7	Very high	18 Å²	18	47.9 Å²	47.9	19%	0.186	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	1.2	176.3	0	0	0	0	0	115.6	R870 N940	R870-G942 PolarHBondContact NH1-O 3.22Å; R870-G942 VanDerWaalsContact NH1-O 3.13Å; N940-G942 PolarHBondContact O-N 3Å; N940-G942 WeakPolarHBondContact OD1-CA 3.23Å; N940-G942 PolarHBondContact OD1-N 3.36Å
943	A	95.9	Very high	95.6	Very high	41 Å²	41	50.6 Å²	50.6	34%	0.339	27%	0.273	S	S	.	.	S	Bend	trans	-104.1	155.2	-176	0	0	0	0	0	112.4	R870 N940 W945	R870-A943 PolarHBondContact NH2-O 2.69Å; N940-A943 HydrophobicContact CB-CB 4.13Å; N940-A943 PolarHBondContact O-N 2.88Å; A943-W945 PolarHBondContact O-NE1 3.29Å
944	D	97.1	Very high	95.4	Very high	91 Å²	91	51.9 Å²	51.9	49%	0.487	28%	0.278	S	S	.	.			trans	-72.2	135.8	168.8	-71.2	3.2	0	0	0	110.8	R870 S881 D883	R870-D944 IonicContact CZ-OD1 3.62Å; R870-D944 IonicContact NH1-OD1 3.37Å; R870-D944 PolarHBondContact NH1-OD1 3.17Å; R870-D944 IonicContact NH2-OD1 2.77Å; R870-D944 PolarHBondContact NH2-OD1 3.43Å; S881-D944 WeakPolarHBondContact O-CA 3.19Å; D883-D944 PolarHBondContact N-OD1 2.68Å; D883-D944 VanDerWaalsContact N-OD1 3.16Å
945	W	97.8	Very high	95.3	Very high	6 Å²	6	55.1 Å²	55.1	2%	0.023	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	163.9	177.1	51.1	-98.6	0	0	0	111.3	L838 F872 L879 S880 S881 V896 L912 K913 T914 M939 A943 V947	L838-W945 HydrophobicContact CD1-CH2 3.72Å; L838-W945 HydrophobicContact CD1-CZ2 3.91Å; F872-W945 HydrophobicContact CD1-CH2 4.18Å; F872-W945 AromaticContact CD1-CZ2 4Å; F872-W945 HydrophobicContact CD1-CZ2 4Å; F872-W945 HydrophobicContact CE1-CH2 4.29Å; F872-W945 AromaticContact CE1-CZ2 3.67Å; F872-W945 HydrophobicContact CE1-CZ2 3.67Å; L879-W945 HydrophobicContact CB-CZ3 4.48Å; L879-W945 HydrophobicContact CD2-CH2 3.84Å; L879-W945 HydrophobicContact CD2-CZ3 3.82Å; L879-W945 HydrophobicContact CG-CH2 4.02Å; L879-W945 HydrophobicContact CG-CZ3 3.78Å; S880-W945 WeakPolarHBondContact CA-O 3.33Å; S881-W945 PolarHBondContact N-O 2.88Å; S881-W945 PolarHBondContact O-N 2.93Å; V896-W945 HydrophobicContact CG2-CZ2 4.14Å; L912-W945 HydrophobicContact CD1-CB 4.12Å; K913-W945 WeakPolarHBondContact O-CA 3.35Å; T914-W945 HydrophobicContact CG2-CB 4.2Å; M939-W945 HydrophobicContact CB-CB 4.44Å; M939-W945 HydrophobicContact CB-CG 4Å; M939-W945 HydrophobicContact CG-CD2 3.99Å; M939-W945 HydrophobicContact CG-CG 3.87Å; M939-W945 HydrophobicContact CG-CZ2 4.46Å; M939-W945 HydrophobicContact SD-CB 4.49Å; M939-W945 HydrophobicContact SD-CD2 3.37Å; M939-W945 HydrophobicContact SD-CE3 3.72Å; M939-W945 HydrophobicContact SD-CG 3.73Å; M939-W945 HydrophobicContact SD-CH2 4.28Å; M939-W945 HydrophobicContact SD-CZ2 3.96Å; M939-W945 HydrophobicContact SD-CZ3 4.16Å; A943-W945 PolarHBondContact O-NE1 3.29Å; W945-V947 HydrophobicContact CE3-CG2 4.08Å; W945-V947 HydrophobicContact CZ3-CG2 4.06Å
946	T	98.1	Very high	95.6	Very high	45 Å²	45	48.9 Å²	48.9	28%	0.276	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.3	178	-56.9	0	0	0	0	110.8	V878 L879 L912 K913	V878-T946 HydrophobicContact CG1-CG2 3.25Å; L879-T946 CarbonylContact O-C 3.49Å; L879-T946 VanDerWaalsContact O-CA 3.3Å; L879-T946 WeakPolarHBondContact O-CA 3.2Å; L912-T946 CarbonylContact C-O 3.55Å; L912-T946 WeakPolarHBondContact CA-O 3.44Å; K913-T946 PolarHBondContact N-O 3.19Å; K913-T946 PolarHBondContact O-N 2.77Å
947	V	98.3	Very high	95.9	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.9	172.5	176.2	0	0	0	0	109.1	V878 L879 I899 V910 T911 L912 L921 I934 W945 L949	V878-V947 CarbonylContact C-O 3.56Å; V878-V947 WeakPolarHBondContact CA-O 3.44Å; L879-V947 HydrophobicContact CB-CB 4.27Å; L879-V947 PolarHBondContact N-O 3.47Å; L879-V947 PolarHBondContact O-N 2.96Å; I899-V947 HydrophobicContact CD1-CG2 4.13Å; V910-V947 HydrophobicContact CG1-CG1 3.61Å; T911-V947 CarbonylContact O-C 3.56Å; T911-V947 VanDerWaalsContact O-CA 3.25Å; T911-V947 WeakPolarHBondContact O-CA 3.47Å; L912-V947 HydrophobicContact CD1-CG2 3.87Å; L921-V947 HydrophobicContact CD1-CG2 4.44Å; I934-V947 HydrophobicContact CD1-CG1 3.93Å; W945-V947 HydrophobicContact CE3-CG2 4.08Å; W945-V947 HydrophobicContact CZ3-CG2 4.06Å; V947-L949 HydrophobicContact CG1-CD2 4.37Å
948	T	98	Very high	96.3	Very high	42 Å²	42	41.7 Å²	41.7	26%	0.258	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.1	-179.1	-55.1	0	0	0	0	110.5	V878 V910 T911	V878-T948 HydrophobicContact CG2-CG2 4.25Å; V910-T948 WeakPolarHBondContact CA-O 3.46Å; T911-T948 PolarHBondContact N-O 3.05Å; T911-T948 PolarHBondContact O-N 3.09Å
949	L	97.5	Very high	96.6	Very high	27 Å²	27	41 Å²	41	14%	0.141	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.1	173.3	-48.6	-173.6	0	0	0	108.7	F874 G877 I901 P907 V910 L932 I934 V947	F874-L949 HydrophobicContact CE2-CD1 3.81Å; F874-L949 HydrophobicContact CE2-CG 4.38Å; F874-L949 HydrophobicContact CZ-CD1 3.77Å; G877-L949 WeakPolarHBondContact O-CB 3.48Å; G877-L949 WeakPolarHBondContact O-CG 3.28Å; G877-L949 PolarHBondContact O-N 2.9Å; I901-L949 HydrophobicContact CD1-CD1 4.03Å; P907-L949 HydrophobicContact CB-CB 4.19Å; V910-L949 HydrophobicContact CB-CD2 4.4Å; V910-L949 HydrophobicContact CG1-CD2 3.98Å; V910-L949 HydrophobicContact CG2-CD2 3.71Å; L932-L949 HydrophobicContact CD2-CD1 3.77Å; L932-L949 HydrophobicContact CD2-CD2 3.87Å; L932-L949 HydrophobicContact CD2-CG 4.48Å; I934-L949 HydrophobicContact CD1-CD2 4.13Å; V947-L949 HydrophobicContact CG1-CD2 4.37Å
950	Q	91.6	Very high	96.7	Very high	141 Å²	141	43.7 Å²	43.7	66%	0.659	25%	0.25	S	C	*	.			trans	-98.9	0	-179.5	-65.3	-170.4	2.4	0	0	113.9	S908 M909	S908-Q950 PolarHBondContact N-O 3.48Å; S908-Q950 PolarHBondContact OG-O 3.36Å; M909-Q950 HydrophobicContact CB-CB 4.37Å; M909-Q950 PolarHBondContact O-N 3Å

Retrieved 950 of 950 residues in 340.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).