A0A087XTA8_POEFO Loading...

LDL receptor related protein 8

AlphaFold DB , UniProt , Accession A0A087XTA8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 990 aa.

						>A0A087XTA8_POEFO|A0A087XTA8
MWSDIRILLLLHLFILRLPYLKATDECEDGQFQCNNKRCIPTIWRCDDDDDCSDNSDEENCPRKTCAPAEFACLNGQCVPGRWRCDGEPECPDGSDEAEETCSKQTCPPEKFDCGGSTNKCVSLSWRCDGEKDCENGADEEDCASDAKACPSTEFMCANRKCLAAVYVCDSDDDCGDGSDELKCAAPQTCGPNHFRCNTSECVPLMWSCDGDPDCSDGSDESPERCGDGAPYLPNRRANCTADEFRCDNGECIRLTWKCDGDPDCKDKSDESDCPLLTCRPDEFQCGDGSCIHGTKQCNKVHDCPDHSDESGCVNATKCEGPLKFQCKNGECIDSSKVCDSVKDCKDRSDEPKKECGLNECMINNGGCSHVCMDRPIGFECQCPTGYQLLDKKTCGDINECENPDACSQICINYKGDFKCECYEGYEMDLVTKTCKAEGKSPYLLFTNRHEIRRIDLVKRDYSQVVSTQKNAVALDLDVANNRVFWCDRFHRKIYSAFIHEASDPSQQVPLVDSSLQTPVGLALDWLQHNLYWTDSGDKSISVSSVDGTKRRILISSDLSEPRAIALDPHHGFMYWSDWGTRAKIEKAGMNGVDRQVLVSENIEWPNGITLDVANRRLYWVDSKLHLIASVDLNGAHRRTHMSSAERLGHPYALAVFEDRIYWTDRDKAAVFMANRLTGQDIQALAENLNDPHDIVVFHQLRQPPGPDSCNLGSVANGGCEYLCLKAPQITEHSPKYTCACPDGQDLGPDMRGCVPAAPRDDMTARSPPALEFTPDVRETDARGIAPSSGGVSQADDIPYLSTAPSASPEFLTPLSTLQPLSSQVSESLGSHSTATAMVISTTSAGDSSVSQHSGGENFVLGENLTVAVLGVVIPIVPIVATVVFGLVCAGVYLAWRNWRRNSTKSMNFDNPVYRKTTGEGEEDEIHIGRTDGMGHHVHHHHPYPQGVSMGVVGAGGGTCPQFIALPLGGSMPDAGTHWYTEQPMLSTAK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.2	Very low	50.6	Low	184 Å²	184	125.5 Å²	125.5	91%	0.906	61%	0.612	S	S	*	*				0	-51.8	0	-63.4	-167.3	74.9	0	0	113.8	D4 I5	M1-D4 VanDerWaalsContact C-OD2 3.25Å; M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 2.66Å; M1-I5 WeakPolarHBondContact O-CG1 3.41Å
2	W	39.2	Very low	50.5	Low	217 Å²	217	125.8 Å²	125.8	82%	0.822	61%	0.61	S	S	*	*	H	α-helix	trans	-79.8	-21.6	177.8	-98.4	43.9	0	0	0	114.9
3	S	42.5	Very low	50.2	Low	85 Å²	85	124.6 Å²	124.6	59%	0.594	61%	0.608	S	S	*	*	H	α-helix	trans	-68.4	-41.6	170.3	-46.6	0	0	0	0	111.6	R6 I7	S3-R6 PolarHBondContact O-N 2.7Å; S3-I7 WeakPolarHBondContact O-CG1 3.34Å; S3-I7 PolarHBondContact O-N 3.42Å
4	D	53.1	Low	49.6	Very low	85 Å²	85	125.9 Å²	125.9	46%	0.455	61%	0.61	S	S	.	*	H	α-helix	trans	-74.6	-36.3	-168.7	-36.9	-88	0	0	0	111.7	M1 R6 I7 L8	M1-D4 VanDerWaalsContact C-OD2 3.25Å; M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 2.66Å; D4-R6 VanDerWaalsContact C-N 3.32Å; D4-R6 PolarHBondContact O-N 3.2Å; D4-I7 PolarHBondContact O-N 3.1Å; D4-L8 PolarHBondContact O-N 2.91Å
5	I	55.2	Low	49.5	Very low	95 Å²	95	125.8 Å²	125.8	49%	0.487	61%	0.611	S	S	.	*	H	α-helix	trans	-65.4	-36.2	173.3	-65.7	170.9	0	0	0	110.8	M1 L8 L9	M1-I5 WeakPolarHBondContact O-CG1 3.41Å; I5-L8 PolarHBondContact O-N 2.86Å; I5-L9 HydrophobicContact CG2-CD1 4.27Å; I5-L9 WeakPolarHBondContact O-CB 3.49Å; I5-L9 PolarHBondContact O-N 3.26Å
6	R	52	Low	49.1	Very low	181 Å²	181	126.4 Å²	126.4	68%	0.683	62%	0.617	S	S	*	*	H	α-helix	trans	-68.1	-37.4	172.7	-77	-174.3	170.9	-168.6	-3.1	112.2	S3 D4 L10	S3-R6 PolarHBondContact O-N 2.7Å; D4-R6 VanDerWaalsContact C-N 3.32Å; D4-R6 PolarHBondContact O-N 3.2Å; R6-L10 VanDerWaalsContact O-CB 3.31Å; R6-L10 WeakPolarHBondContact O-CB 3.22Å; R6-L10 VanDerWaalsContact O-CG 3.26Å; R6-L10 WeakPolarHBondContact O-CG 3.21Å; R6-L10 PolarHBondContact O-N 3.04Å
7	I	57.2	Low	48.9	Very low	102 Å²	102	131.6 Å²	131.6	52%	0.523	63%	0.629	S	S	.	*	H	α-helix	trans	-63.6	-43.9	173.9	-68.1	166	0	0	0	110.4	S3 D4 L10 L11	S3-I7 WeakPolarHBondContact O-CG1 3.34Å; S3-I7 PolarHBondContact O-N 3.42Å; D4-I7 PolarHBondContact O-N 3.1Å; I7-L10 PolarHBondContact O-N 2.82Å; I7-L11 WeakPolarHBondContact O-CB 3.1Å; I7-L11 PolarHBondContact O-N 3.49Å
8	L	52.7	Low	48	Very low	107 Å²	107	131.2 Å²	131.2	56%	0.56	63%	0.63	S	S	*	*	H	α-helix	trans	-67.1	-41.7	177.8	-78.6	163.7	0	0	0	113.6	D4 I5 L11 H12	D4-L8 PolarHBondContact O-N 2.91Å; I5-L8 PolarHBondContact O-N 2.86Å; L8-L11 WeakPolarHBondContact O-CB 3.29Å; L8-L11 PolarHBondContact O-N 3.1Å; L8-H12 PolarHBondContact O-N 3.49Å
9	L	53.1	Low	48.1	Very low	107 Å²	107	130.3 Å²	130.3	56%	0.56	64%	0.636	S	S	*	*	H	α-helix	trans	-65.5	-38.9	174.6	-97.3	159.5	0	0	0	112.2	I5 L13	I5-L9 HydrophobicContact CG2-CD1 4.27Å; I5-L9 WeakPolarHBondContact O-CB 3.49Å; I5-L9 PolarHBondContact O-N 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3Å; L9-L13 PolarHBondContact O-N 2.82Å; L9-L13 VanDerWaalsContact O-N 3.08Å
10	L	51.9	Low	47.3	Very low	119 Å²	119	134.8 Å²	134.8	62%	0.623	65%	0.647	S	S	*	*	H	α-helix	trans	-66.2	-37.7	171.4	-73.7	169.2	0	0	0	111.5	R6 I7 L13 F14	R6-L10 VanDerWaalsContact O-CB 3.31Å; R6-L10 WeakPolarHBondContact O-CB 3.22Å; R6-L10 VanDerWaalsContact O-CG 3.26Å; R6-L10 WeakPolarHBondContact O-CG 3.21Å; R6-L10 PolarHBondContact O-N 3.04Å; I7-L10 PolarHBondContact O-N 2.82Å; L10-L13 PolarHBondContact O-N 3.33Å; L10-F14 WeakPolarHBondContact O-CB 3.04Å; L10-F14 PolarHBondContact O-N 2.55Å
11	L	50.4	Low	46.9	Very low	99 Å²	99	135 Å²	135	52%	0.518	65%	0.651	S	S	.	*	H	α-helix	trans	-61.3	-46.5	175.4	-142.3	82.1	0	0	0	111.4	I7 L8 L13 F14 I15	I7-L11 WeakPolarHBondContact O-CB 3.1Å; I7-L11 PolarHBondContact O-N 3.49Å; L8-L11 WeakPolarHBondContact O-CB 3.29Å; L8-L11 PolarHBondContact O-N 3.1Å; L11-L13 PolarHBondContact O-N 3.24Å; L11-F14 PolarHBondContact O-N 3.25Å; L11-I15 HydrophobicContact CD2-CD1 4.4Å; L11-I15 HydrophobicContact CG-CD1 4.33Å; L11-I15 WeakPolarHBondContact O-CB 3.3Å; L11-I15 WeakPolarHBondContact O-CD1 3.1Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 2.79Å
12	H	50	Low	46.1	Very low	128 Å²	128	136.3 Å²	136.3	59%	0.593	65%	0.652	S	S	*	*	H	α-helix	trans	-62.9	-40.4	177	-105.9	-53.1	0	0	0	112.6	L8 F14 I15 L16	L8-H12 PolarHBondContact O-N 3.49Å; H12-F14 VanDerWaalsContact C-N 3.34Å; H12-I15 PolarHBondContact O-N 3.23Å; H12-L16 WeakPolarHBondContact O-CB 3.46Å; H12-L16 PolarHBondContact O-N 3.49Å; H12-L16 VanDerWaalsContact O-N 3.08Å
13	L	46.5	Very low	45.9	Very low	111 Å²	111	129 Å²	129	58%	0.581	64%	0.638	S	S	*	*	H	α-helix	trans	-70.4	-28	175.6	-75.9	165.5	0	0	0	113.1	L9 L10 L11 R17	L9-L13 WeakPolarHBondContact O-CG 3Å; L9-L13 PolarHBondContact O-N 2.82Å; L9-L13 VanDerWaalsContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3.33Å; L11-L13 PolarHBondContact O-N 3.24Å; L13-R17 PolarHBondContact O-N 3.3Å
14	F	42.1	Very low	45.9	Very low	143 Å²	143	130.4 Å²	130.4	63%	0.627	64%	0.643	S	S	*	*	H	α-helix	trans	-76.9	-37.8	174.7	-144.1	-99.2	0	0	0	111.8	L10 L11 H12 L16 R17 L18	L10-F14 WeakPolarHBondContact O-CB 3.04Å; L10-F14 PolarHBondContact O-N 2.55Å; L11-F14 PolarHBondContact O-N 3.25Å; H12-F14 VanDerWaalsContact C-N 3.34Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3Å; F14-R17 CarbonylContact O-C 3.46Å; F14-R17 PolarHBondContact O-N 2.89Å; F14-L18 HydrophobicContact CD1-CD1 4.28Å; F14-L18 HydrophobicContact CE1-CD1 3.62Å; F14-L18 HydrophobicContact CZ-CD1 4.16Å
15	I	48	Very low	45.5	Very low	124 Å²	124	131.1 Å²	131.1	64%	0.636	65%	0.647	S	S	*	*	H	α-helix	trans	-65.5	-34	174	-69.9	164.4	0	0	0	111.2	L11 H12	L11-I15 HydrophobicContact CD2-CD1 4.4Å; L11-I15 HydrophobicContact CG-CD1 4.33Å; L11-I15 WeakPolarHBondContact O-CB 3.3Å; L11-I15 WeakPolarHBondContact O-CD1 3.1Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 2.79Å; H12-I15 PolarHBondContact O-N 3.23Å
16	L	41.9	Very low	45.7	Very low	135 Å²	135	133.8 Å²	133.8	71%	0.707	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-3	177.1	-75.3	167.5	0	0	0	114.8	H12 F14	H12-L16 WeakPolarHBondContact O-CB 3.46Å; H12-L16 PolarHBondContact O-N 3.49Å; H12-L16 VanDerWaalsContact O-N 3.08Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3Å
17	R	46.3	Very low	46.5	Very low	216 Å²	216	126.7 Å²	126.7	82%	0.815	64%	0.635	S	S	*	*	S	Bend	trans	-146.2	68.1	174.9	-79.3	-160	172.7	-161.1	-1.8	114.1	L13 F14	L13-R17 PolarHBondContact O-N 3.3Å; F14-R17 CarbonylContact O-C 3.46Å; F14-R17 PolarHBondContact O-N 2.89Å
18	L	33.3	Very low	47	Very low	123 Å²	123	129 Å²	129	64%	0.644	64%	0.643	S	S	*	*			trans	-142.9	109	147.3	-102.7	177.4	0	0	0	110.3	F14	F14-L18 HydrophobicContact CD1-CD1 4.28Å; F14-L18 HydrophobicContact CE1-CD1 3.62Å; F14-L18 HydrophobicContact CZ-CD1 4.16Å
19	P	49.2	Very low	47.3	Very low	114 Å²	114	132.6 Å²	132.6	74%	0.74	66%	0.663	S	S	*	*			trans	-78.5	126	166.9	31.7	-30.1	0	0	0	108.8
20	Y	33.2	Very low	48	Very low	221 Å²	221	129.7 Å²	129.7	87%	0.867	66%	0.659	S	S	*	*			trans	-146.5	134.3	153.4	-136.5	-88.1	0	0	0	111.6
21	L	37.8	Very low	49.3	Very low	140 Å²	140	127.9 Å²	127.9	73%	0.733	65%	0.647	S	S	*	*			trans	-66	143.2	-177.5	-78.2	65.6	0	0	0	110.5	A23	L21-A23 HydrophobicContact CD2-CB 4.28Å
22	K	32.7	Very low	50.7	Low	210 Å²	210	125.3 Å²	125.3	91%	0.913	63%	0.632	S	S	*	*				-133.5	77.4	117.2	-158.3	172.8	-172.5	-178.3	0	110
23	A	34.7	Very low	52.3	Low	64 Å²	64	122.8 Å²	122.8	53%	0.529	62%	0.62	S	S	.	*			trans	-57.7	139.4	166.7	0	0	0	0	0	109.5	L21	L21-A23 HydrophobicContact CD2-CB 4.28Å
24	T	41.8	Very low	54	Low	115 Å²	115	117.7 Å²	117.7	71%	0.706	59%	0.594	S	S	*	*			trans	-64.9	130.2	145.1	38.7	0	0	0	0	106.6	E26	T24-E26 PolarHBondContact O-N 3.37Å; T24-E26 VanDerWaalsContact O-N 3.13Å
25	D	46.5	Very low	55.8	Low	100 Å²	100	116.7 Å²	116.7	54%	0.535	60%	0.595	S	S	.	*	S	Bend	trans	-87	26.5	-170.9	-150	19.3	0	0	0	111.8	Q33 K37	D25-Q33 PolarHBondContact O-NE2 3.22Å; D25-Q33 VanDerWaalsContact O-NE2 3.1Å; D25-K37 IonicContact OD1-NZ 2.7Å; D25-K37 PolarHBondContact OD1-NZ 3.13Å; D25-K37 IonicContact OD2-NZ 2.66Å; D25-K37 PolarHBondContact OD2-NZ 3.49Å
26	E	58.1	Low	57.3	Low	151 Å²	151	114.4 Å²	114.4	71%	0.706	58%	0.584	S	S	*	*	S	Bend	trans	-135.3	134.1	-167.6	-64.4	169.1	150.2	0	0	107.2	T24	T24-E26 PolarHBondContact O-N 3.37Å; T24-E26 VanDerWaalsContact O-N 3.13Å
27	C	68.5	Low	59	Low	31 Å²	31	113.6 Å²	113.6	21%	0.209	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-73.1	163.3	177	-55.1	0	0	0	0	111.6	Q31 Q33 C39	C27-Q31 HydrophobicContact CB-CB 3.76Å; C27-Q33 VanDerWaalsContact SG-CB 3.57Å; C27-C39 HydrophobicContact CB-CB 3.89Å; C27-C39 WeakPolarHBondContact CB-SG 3.34Å; C27-C39 WeakPolarHBondContact SG-CB 3.3Å; C27-C39 CovalentContact SG-SG 2.04Å; C27-C39 PolarHBondContact SG-SG 2.04Å
28	E	68.5	Low	60.5	Low	151 Å²	151	108.3 Å²	108.3	71%	0.706	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-73.7	157.6	176	-67.5	-174.7	126.6	0	0	112.2	G30 Q31	E28-G30 PolarHBondContact O-N 2.83Å; E28-Q31 WeakPolarHBondContact O-CB 3.44Å; E28-Q31 PolarHBondContact O-N 3.44Å
29	D	59.3	Low	62.9	Low	183 Å²	183	105 Å²	105	98%	0.979	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	122.6	177.8	-97.8	-44.9	0	0	0	111
30	G	68.1	Low	64.4	Low	45 Å²	45	100 Å²	100	46%	0.464	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	7	-174	0	0	0	0	0	115.5	E28 T42	E28-G30 PolarHBondContact O-N 2.83Å; G30-T42 PolarHBondContact O-N 3.48Å; G30-T42 PolarHBondContact O-OG1 2.94Å
31	Q	79.1	Confident	66.6	Low	81 Å²	81	92 Å²	92	38%	0.379	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.8	172.2	-66.1	172.2	18.9	0	0	112.5	C27 E28 C39 I40	C27-Q31 HydrophobicContact CB-CB 3.76Å; E28-Q31 WeakPolarHBondContact O-CB 3.44Å; E28-Q31 PolarHBondContact O-N 3.44Å; Q31-C39 HydrophobicContact CB-CB 4.27Å; Q31-I40 CarbonylContact C-O 3.57Å; Q31-I40 WeakPolarHBondContact CA-O 3.31Å; Q31-I40 WeakPolarHBondContact CB-O 3.26Å
32	F	79.6	Confident	68.3	Low	45 Å²	45	89.4 Å²	89.4	20%	0.197	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	146	171.2	177.6	-109.2	0	0	0	110.5	C39 I40 T42 R45 S56 D57	F32-C39 CarbonylContact O-C 3.59Å; F32-C39 VanDerWaalsContact O-CA 3.3Å; F32-C39 WeakPolarHBondContact O-CA 3.07Å; F32-I40 HydrophobicContact CB-CG1 4.24Å; F32-I40 HydrophobicContact CD1-CD1 4.22Å; F32-I40 HydrophobicContact CD1-CG1 4.14Å; F32-I40 PolarHBondContact N-O 3.22Å; F32-I40 PolarHBondContact O-N 3.06Å; F32-T42 HydrophobicContact CB-CG2 4.16Å; F32-R45 HydrophobicContact CD1-CG 4.38Å; F32-R45 HydrophobicContact CG-CG 4.49Å; F32-S56 WeakPolarHBondContact CE1-O 3.09Å; F32-S56 WeakPolarHBondContact CZ-O 3.18Å; F32-D57 HydrophobicContact CE1-CB 4.49Å
33	Q	82.5	Confident	70.2	Confident	76 Å²	76	85.4 Å²	85.4	36%	0.355	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.7	-178.2	-164.2	173.3	29	0	0	110.6	D25 C27	D25-Q33 PolarHBondContact O-NE2 3.22Å; D25-Q33 VanDerWaalsContact O-NE2 3.1Å; C27-Q33 VanDerWaalsContact SG-CB 3.57Å
34	C	82.3	Confident	72.2	Confident	4 Å²	4	87.8 Å²	87.8	3%	0.027	46%	0.456	C	S	.	.			trans	-64.3	158.2	174.6	-52.6	0	0	0	0	111.6	N36 K37 R38 C52	C34-N36 WeakPolarHBondContact CB-OD1 2.98Å; C34-N36 PolarHBondContact O-N 3.27Å; C34-K37 WeakPolarHBondContact O-CA 3.41Å; C34-K37 PolarHBondContact O-N 3.47Å; C34-R38 HydrophobicContact CB-CB 4.2Å; C34-R38 WeakPolarHBondContact CB-O 3.42Å; C34-R38 PolarHBondContact N-O 3.32Å; C34-R38 PolarHBondContact SG-O 3.2Å; C34-C52 HydrophobicContact CB-CB 3.68Å; C34-C52 WeakPolarHBondContact CB-SG 3.49Å; C34-C52 WeakPolarHBondContact SG-CA 3.01Å; C34-C52 WeakPolarHBondContact SG-CB 3.47Å; C34-C52 CovalentContact SG-SG 2.03Å; C34-C52 PolarHBondContact SG-SG 3Å
35	N	81	Confident	73.8	Confident	121 Å²	121	86.8 Å²	86.8	65%	0.647	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.7	178.2	-73.2	-59.5	0	0	0	112.3	K37 S56	N35-K37 PolarHBondContact O-N 2.87Å; N35-S56 WeakPolarHBondContact CB-OG 3.13Å; N35-S56 PolarHBondContact N-OG 3.35Å; N35-S56 WeakPolarHBondContact ND2-CB 3.46Å; N35-S56 PolarHBondContact ND2-OG 2.97Å
36	N	78.9	Confident	75.1	Confident	77 Å²	77	83.3 Å²	83.3	41%	0.412	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	2.4	170.3	66.3	32.2	0	0	0	115.3	C34 R38 C52 D54	C34-N36 WeakPolarHBondContact CB-OD1 2.98Å; C34-N36 PolarHBondContact O-N 3.27Å; N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 2.03Å; N36-R38 WeakPolarHBondContact OD1-CB 3.22Å; N36-R38 PolarHBondContact OD1-N 3.42Å; N36-C52 PolarHBondContact ND2-O 3.35Å; N36-D54 WeakPolarHBondContact CB-OD2 2.98Å; N36-D54 PolarHBondContact N-OD2 3.42Å; N36-D54 VanDerWaalsContact ND2-CG 3.26Å; N36-D54 PolarHBondContact ND2-OD2 3.43Å; N36-D54 VanDerWaalsContact ND2-OD2 3.1Å
37	K	77.7	Confident	75.7	Confident	117 Å²	117	79.4 Å²	79.4	51%	0.509	41%	0.407	S	S	.	.	S	Bend	trans	68.2	14.6	-176.5	-60.5	-170.9	156.1	-157.7	0	116.9	D25 C34 N35	D25-K37 IonicContact OD1-NZ 2.7Å; D25-K37 PolarHBondContact OD1-NZ 3.13Å; D25-K37 IonicContact OD2-NZ 2.66Å; D25-K37 PolarHBondContact OD2-NZ 3.49Å; C34-K37 WeakPolarHBondContact O-CA 3.41Å; C34-K37 PolarHBondContact O-N 3.47Å; N35-K37 PolarHBondContact O-N 2.87Å
38	R	78.3	Confident	75.5	Confident	106 Å²	106	84 Å²	84	40%	0.4	43%	0.429	S	S	.	.			trans	-68.1	141.2	163.1	-173.9	175.6	175.5	-176.8	-9.7	109.5	C34 N36 I40 D51 C52 S53	C34-R38 HydrophobicContact CB-CB 4.2Å; C34-R38 WeakPolarHBondContact CB-O 3.42Å; C34-R38 PolarHBondContact N-O 3.32Å; C34-R38 PolarHBondContact SG-O 3.2Å; N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 2.03Å; N36-R38 WeakPolarHBondContact OD1-CB 3.22Å; N36-R38 PolarHBondContact OD1-N 3.42Å; R38-I40 HydrophobicContact CG-CG2 4.16Å; R38-D51 PolarHBondContact NH1-O 3.35Å; R38-D51 PolarHBondContact NH2-O 2.85Å; R38-C52 PolarHBondContact NH1-O 2.93Å; R38-S53 PolarHBondContact NH1-OG 2.74Å
39	C	83.7	Confident	75.7	Confident	54 Å²	54	82.3 Å²	82.3	37%	0.365	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.6	167.5	-58	0	0	0	0	108.4	C27 Q31 F32	C27-C39 HydrophobicContact CB-CB 3.89Å; C27-C39 WeakPolarHBondContact CB-SG 3.34Å; C27-C39 WeakPolarHBondContact SG-CB 3.3Å; C27-C39 CovalentContact SG-SG 2.04Å; C27-C39 PolarHBondContact SG-SG 2.04Å; Q31-C39 HydrophobicContact CB-CB 4.27Å; F32-C39 CarbonylContact O-C 3.59Å; F32-C39 VanDerWaalsContact O-CA 3.3Å; F32-C39 WeakPolarHBondContact O-CA 3.07Å
40	I	80.1	Confident	76.4	Confident	7 Å²	7	77.2 Å²	77.2	4%	0.036	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	161.3	173	63.2	174.9	0	0	0	109.5	Q31 F32 R38 W44 D51 C52 D57	Q31-I40 CarbonylContact C-O 3.57Å; Q31-I40 WeakPolarHBondContact CA-O 3.31Å; Q31-I40 WeakPolarHBondContact CB-O 3.26Å; F32-I40 HydrophobicContact CB-CG1 4.24Å; F32-I40 HydrophobicContact CD1-CD1 4.22Å; F32-I40 HydrophobicContact CD1-CG1 4.14Å; F32-I40 PolarHBondContact N-O 3.22Å; F32-I40 PolarHBondContact O-N 3.06Å; R38-I40 HydrophobicContact CG-CG2 4.16Å; I40-W44 HydrophobicContact CD1-CB 4.31Å; I40-W44 WeakPolarHBondContact CD1-O 3.21Å; I40-D51 HydrophobicContact CD1-CB 4.25Å; I40-C52 VanDerWaalsContact CD1-SG 3.56Å; I40-D57 HydrophobicContact CD1-CB 4.08Å
41	P	79.4	Confident	77.1	Confident	54 Å²	54	77 Å²	77	35%	0.351	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	142.6	176.8	-22.3	34.9	0	0	0	111.7	I43 W44	P41-I43 HydrophobicContact CB-CG2 3.78Å; P41-I43 PolarHBondContact O-N 2.03Å; P41-W44 HydrophobicContact CB-CG 4.46Å; P41-W44 HydrophobicContact CG-CD2 4.22Å; P41-W44 HydrophobicContact CG-CE3 4.48Å; P41-W44 HydrophobicContact CG-CG 4.41Å; P41-W44 PolarHBondContact O-N 2.89Å
42	T	73.8	Confident	77	Confident	85 Å²	85	73.2 Å²	73.2	52%	0.521	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-3.4	178.1	49	0	0	0	0	115.1	G30 F32	G30-T42 PolarHBondContact O-N 3.48Å; G30-T42 PolarHBondContact O-OG1 2.94Å; F32-T42 HydrophobicContact CB-CG2 4.16Å
43	I	73.4	Confident	76.7	Confident	127 Å²	127	74.7 Å²	74.7	65%	0.651	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-23	171.4	-176.4	166	0	0	0	112.2	P41 R45	P41-I43 HydrophobicContact CB-CG2 3.78Å; P41-I43 PolarHBondContact O-N 2.03Å; I43-R45 VanDerWaalsContact C-N 3.25Å; I43-R45 PolarHBondContact O-N 3.45Å
44	W	75.2	Confident	76.5	Confident	113 Å²	113	73.9 Å²	73.9	43%	0.428	38%	0.383	S	S	.	.	S	Bend	trans	-90.6	68.5	173	-62.5	-2.8	0	0	0	107.7	I40 P41 D47 D51	I40-W44 HydrophobicContact CD1-CB 4.31Å; I40-W44 WeakPolarHBondContact CD1-O 3.21Å; P41-W44 HydrophobicContact CB-CG 4.46Å; P41-W44 HydrophobicContact CG-CD2 4.22Å; P41-W44 HydrophobicContact CG-CE3 4.48Å; P41-W44 HydrophobicContact CG-CG 4.41Å; P41-W44 PolarHBondContact O-N 2.89Å; W44-D47 WeakPolarHBondContact CA-OD1 3.01Å; W44-D51 HydrophobicContact CB-CB 4.42Å; W44-D51 HydrophobicContact CE3-CB 3.98Å; W44-D51 VanDerWaalsContact CZ3-OD1 3.26Å; W44-D51 WeakPolarHBondContact CZ3-OD1 3.26Å
45	R	76.6	Confident	76.2	Confident	94 Å²	94	77.6 Å²	77.6	36%	0.355	40%	0.402	S	S	.	.	S	Bend	trans	-164.6	121.3	-179.6	-164.8	-169	174.2	-135.2	-12.2	110	F32 I43 D47 D57	F32-R45 HydrophobicContact CD1-CG 4.38Å; F32-R45 HydrophobicContact CG-CG 4.49Å; I43-R45 VanDerWaalsContact C-N 3.25Å; I43-R45 PolarHBondContact O-N 3.45Å; R45-D47 VanDerWaalsContact C-N 3.34Å; R45-D47 WeakPolarHBondContact CA-OD1 3.4Å; R45-D47 PolarHBondContact N-OD1 3.32Å; R45-D57 HydrophobicContact CG-CB 4.37Å; R45-D57 WeakPolarHBondContact CG-O 3.28Å; R45-D57 PolarHBondContact NE-O 3.04Å
46	C	73.4	Confident	76.3	Confident	27 Å²	27	72.1 Å²	72.1	18%	0.182	37%	0.373	C	S	.	.	S	Bend	trans	70.3	25	-172.6	-47.7	0	0	0	0	114.1	E58 C61 K64	C46-E58 WeakPolarHBondContact CA-OE1 3.35Å; C46-E58 VanDerWaalsContact CA-OE2 3.28Å; C46-E58 WeakPolarHBondContact CA-OE2 3.5Å; C46-E58 PolarHBondContact N-OE1 2.71Å; C46-C61 WeakPolarHBondContact CA-SG 3.07Å; C46-C61 HydrophobicContact CB-CB 3.78Å; C46-C61 WeakPolarHBondContact CB-SG 3.33Å; C46-C61 WeakPolarHBondContact SG-CB 3.22Å; C46-C61 CovalentContact SG-SG 2.03Å; C46-C61 PolarHBondContact SG-SG 2.77Å; C46-K64 WeakPolarHBondContact O-CE 3.46Å; C46-K64 PolarHBondContact O-NZ 2.64Å
47	D	69.5	Low	76.2	Confident	70 Å²	70	68.5 Å²	68.5	37%	0.374	35%	0.354	S	S	.	.	S	Bend	trans	-104.9	15.3	177	53	-31.5	0	0	0	114.4	W44 R45 D49 E58	W44-D47 WeakPolarHBondContact CA-OD1 3.01Å; R45-D47 VanDerWaalsContact C-N 3.34Å; R45-D47 WeakPolarHBondContact CA-OD1 3.4Å; R45-D47 PolarHBondContact N-OD1 3.32Å; D47-D49 PolarHBondContact O-N 2.93Å; D47-E58 PolarHBondContact N-OE1 3.14Å; D47-E58 PolarHBondContact N-OE2 2.87Å
48	D	65.4	Low	76.4	Confident	126 Å²	126	64.7 Å²	64.7	67%	0.674	34%	0.338	S	S	*	.	S	Bend	trans	70.1	13.8	169.3	-61.7	-86.2	0	0	0	116.3	E58 K64	D48-E58 WeakPolarHBondContact CA-OE2 3.49Å; D48-E58 PolarHBondContact N-OE2 3.15Å; D48-K64 IonicContact OD2-NZ 2.64Å; D48-K64 PolarHBondContact OD2-NZ 3.48Å
49	D	71.4	Confident	76.2	Confident	117 Å²	117	65.5 Å²	65.5	63%	0.626	35%	0.346	S	S	*	.	S	Bend	trans	-117.8	150.4	173.3	-94.8	-44.2	0	0	0	112.6	D47 D51	D47-D49 PolarHBondContact O-N 2.93Å; D49-D51 PolarHBondContact O-N 3.47Å
50	D	75.9	Confident	75.3	Confident	76 Å²	76	70.6 Å²	70.6	41%	0.406	37%	0.37	S	S	.	.			trans	-92.7	72.3	-179	176	27	0	0	0	112.8	S53 D54 N55	D50-S53 PolarHBondContact O-N 3.47Å; D50-S53 WeakPolarHBondContact OD1-CA 3.41Å; D50-S53 PolarHBondContact OD1-N 3.22Å; D50-S53 WeakPolarHBondContact OD2-CA 3.49Å; D50-D54 PolarHBondContact OD1-N 3.08Å; D50-N55 WeakPolarHBondContact OD1-CA 3.5Å; D50-N55 PolarHBondContact OD1-N 3.48Å
51	D	81.8	Confident	74.6	Confident	41 Å²	41	72.2 Å²	72.2	22%	0.219	38%	0.382	C	S	.	.	S	Bend	trans	-77.8	-29.3	-179.1	-106.3	-51.5	0	0	0	113.4	R38 I40 W44 D49 S53 D57	R38-D51 PolarHBondContact NH1-O 3.35Å; R38-D51 PolarHBondContact NH2-O 2.85Å; I40-D51 HydrophobicContact CD1-CB 4.25Å; W44-D51 HydrophobicContact CB-CB 4.42Å; W44-D51 HydrophobicContact CE3-CB 3.98Å; W44-D51 VanDerWaalsContact CZ3-OD1 3.26Å; W44-D51 WeakPolarHBondContact CZ3-OD1 3.26Å; D49-D51 PolarHBondContact O-N 3.47Å; D51-S53 PolarHBondContact O-N 2.9Å; D51-D57 PolarHBondContact N-OD2 2.6Å
52	C	76.6	Confident	73.6	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.397	C	S	.	.	S	Bend	trans	-61.1	-29.4	168.8	-83.2	0	0	0	0	111.9	C34 N36 R38 I40 D54 D57	C34-C52 HydrophobicContact CB-CB 3.68Å; C34-C52 WeakPolarHBondContact CB-SG 3.49Å; C34-C52 WeakPolarHBondContact SG-CA 3.01Å; C34-C52 WeakPolarHBondContact SG-CB 3.47Å; C34-C52 CovalentContact SG-SG 2.03Å; C34-C52 PolarHBondContact SG-SG 3Å; N36-C52 PolarHBondContact ND2-O 3.35Å; R38-C52 PolarHBondContact NH1-O 2.93Å; I40-C52 VanDerWaalsContact CD1-SG 3.56Å; C52-D54 VanDerWaalsContact CB-OD1 3.29Å; C52-D54 WeakPolarHBondContact CB-OD1 3.48Å; C52-D54 PolarHBondContact O-N 3.49Å; C52-D57 WeakPolarHBondContact CB-OD2 3.43Å; C52-D57 PolarHBondContact N-OD2 3.21Å; C52-D57 PolarHBondContact SG-OD2 2.86Å
53	S	74.8	Confident	72.2	Confident	76 Å²	76	82.1 Å²	82.1	53%	0.531	42%	0.416	S	S	.	.	S	Bend	trans	62.7	25.9	-169.7	-45.3	0	0	0	0	113.5	R38 D50 D51	R38-S53 PolarHBondContact NH1-OG 2.74Å; D50-S53 PolarHBondContact O-N 3.47Å; D50-S53 WeakPolarHBondContact OD1-CA 3.41Å; D50-S53 PolarHBondContact OD1-N 3.22Å; D50-S53 WeakPolarHBondContact OD2-CA 3.49Å; D51-S53 PolarHBondContact O-N 2.9Å
54	D	78.3	Confident	70.9	Confident	60 Å²	60	82 Å²	82	32%	0.321	41%	0.411	S	S	.	.	S	Bend	trans	-149.8	11.6	169.9	74.7	-0.5	0	0	0	112.8	N36 D50 C52 S56	N36-D54 WeakPolarHBondContact CB-OD2 2.98Å; N36-D54 PolarHBondContact N-OD2 3.42Å; N36-D54 VanDerWaalsContact ND2-CG 3.26Å; N36-D54 PolarHBondContact ND2-OD2 3.43Å; N36-D54 VanDerWaalsContact ND2-OD2 3.1Å; D50-D54 PolarHBondContact OD1-N 3.08Å; C52-D54 VanDerWaalsContact CB-OD1 3.29Å; C52-D54 WeakPolarHBondContact CB-OD1 3.48Å; C52-D54 PolarHBondContact O-N 3.49Å; D54-S56 PolarHBondContact O-N 2.95Å; D54-S56 WeakPolarHBondContact OD1-CB 3.48Å; D54-S56 PolarHBondContact OD1-N 2.9Å; D54-S56 PolarHBondContact OD1-OG 3.08Å; D54-S56 PolarHBondContact OD2-OG 2.94Å
55	N	75.3	Confident	69.7	Low	82 Å²	82	83 Å²	83	44%	0.439	43%	0.429	S	S	.	.	S	Bend	trans	62.1	18.2	176.5	-147.7	118.7	0	0	0	115.2	D50 D57 E59	D50-N55 WeakPolarHBondContact OD1-CA 3.5Å; D50-N55 PolarHBondContact OD1-N 3.48Å; N55-D57 VanDerWaalsContact C-N 3.33Å; N55-D57 VanDerWaalsContact CA-OD1 3.3Å; N55-D57 WeakPolarHBondContact CA-OD1 3.45Å; N55-E59 PolarHBondContact O-N 3.18Å
56	S	83.1	Confident	69.1	Low	6 Å²	6	80.2 Å²	80.2	4%	0.042	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.3	-179.1	-57.9	0	0	0	0	115.2	F32 N35 D54	F32-S56 WeakPolarHBondContact CE1-O 3.09Å; F32-S56 WeakPolarHBondContact CZ-O 3.18Å; N35-S56 WeakPolarHBondContact CB-OG 3.13Å; N35-S56 PolarHBondContact N-OG 3.35Å; N35-S56 WeakPolarHBondContact ND2-CB 3.46Å; N35-S56 PolarHBondContact ND2-OG 2.97Å; D54-S56 PolarHBondContact O-N 2.95Å; D54-S56 WeakPolarHBondContact OD1-CB 3.48Å; D54-S56 PolarHBondContact OD1-N 2.9Å; D54-S56 PolarHBondContact OD1-OG 3.08Å; D54-S56 PolarHBondContact OD2-OG 2.94Å
57	D	76.8	Confident	68.5	Low	0 Å²	0	81 Å²	81	0%	0	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-55.4	171.2	28.2	25.9	0	0	0	111.1	F32 I40 R45 D51 C52 N55 E59	F32-D57 HydrophobicContact CE1-CB 4.49Å; I40-D57 HydrophobicContact CD1-CB 4.08Å; R45-D57 HydrophobicContact CG-CB 4.37Å; R45-D57 WeakPolarHBondContact CG-O 3.28Å; R45-D57 PolarHBondContact NE-O 3.04Å; D51-D57 PolarHBondContact N-OD2 2.6Å; C52-D57 WeakPolarHBondContact CB-OD2 3.43Å; C52-D57 PolarHBondContact N-OD2 3.21Å; C52-D57 PolarHBondContact SG-OD2 2.86Å; N55-D57 VanDerWaalsContact C-N 3.33Å; N55-D57 VanDerWaalsContact CA-OD1 3.3Å; N55-D57 WeakPolarHBondContact CA-OD1 3.45Å; D57-E59 VanDerWaalsContact C-N 3.28Å; D57-E59 PolarHBondContact O-N 3.27Å
58	E	82.4	Confident	67.9	Low	38 Å²	38	84.8 Å²	84.8	18%	0.178	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.6	-178	-58.2	-51.2	101.6	0	0	113.4	C46 D47 D48 N60	C46-E58 WeakPolarHBondContact CA-OE1 3.35Å; C46-E58 VanDerWaalsContact CA-OE2 3.28Å; C46-E58 WeakPolarHBondContact CA-OE2 3.5Å; C46-E58 PolarHBondContact N-OE1 2.71Å; D47-E58 PolarHBondContact N-OE1 3.14Å; D47-E58 PolarHBondContact N-OE2 2.87Å; D48-E58 WeakPolarHBondContact CA-OE2 3.49Å; D48-E58 PolarHBondContact N-OE2 3.15Å; E58-N60 PolarHBondContact O-N 3.21Å
59	E	74.3	Confident	67.5	Low	122 Å²	122	82.6 Å²	82.6	57%	0.57	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	127.9	173.6	-86.8	-161	157.9	0	0	112.6	N55 D57 C61	N55-E59 PolarHBondContact O-N 3.18Å; D57-E59 VanDerWaalsContact C-N 3.28Å; D57-E59 PolarHBondContact O-N 3.27Å; E59-C61 PolarHBondContact O-N 2.99Å
60	N	63.4	Low	67.5	Low	161 Å²	161	81.3 Å²	81.3	86%	0.861	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	35.4	169.8	-158	29.5	0	0	0	114.7	E58	E58-N60 PolarHBondContact O-N 3.21Å
61	C	65.8	Low	67.3	Low	42 Å²	42	79.5 Å²	79.5	28%	0.284	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-63.9	144.7	172.6	-71.7	0	0	0	0	113.5	C46 E59	C46-C61 WeakPolarHBondContact CA-SG 3.07Å; C46-C61 HydrophobicContact CB-CB 3.78Å; C46-C61 WeakPolarHBondContact CB-SG 3.33Å; C46-C61 WeakPolarHBondContact SG-CB 3.22Å; C46-C61 CovalentContact SG-SG 2.03Å; C46-C61 PolarHBondContact SG-SG 2.77Å; E59-C61 PolarHBondContact O-N 2.99Å
62	P	58.4	Low	66.9	Low	105 Å²	105	80 Å²	80	68%	0.682	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-67.9	142.9	172.4	30.3	-34	0	0	0	110.5	K64	P62-K64 PolarHBondContact O-N 2.67Å; P62-K64 VanDerWaalsContact O-N 3.14Å
63	R	44.2	Very low	66.6	Low	241 Å²	241	80.2 Å²	80.2	91%	0.909	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-57.9	119.2	177.1	-85.2	-178.3	161.8	176.2	-8.5	110.9	T65	R63-T65 PolarHBondContact O-N 2.9Å
64	K	46.5	Very low	66.3	Low	125 Å²	125	84.1 Å²	84.1	54%	0.543	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-54.8	118.2	169.6	-64.9	175.9	-178.5	178.3	0	108.3	C46 D48 P62	C46-K64 WeakPolarHBondContact O-CE 3.46Å; C46-K64 PolarHBondContact O-NZ 2.64Å; D48-K64 IonicContact OD2-NZ 2.64Å; D48-K64 PolarHBondContact OD2-NZ 3.48Å; P62-K64 PolarHBondContact O-N 2.67Å; P62-K64 VanDerWaalsContact O-N 3.14Å
65	T	50.7	Low	65.4	Low	134 Å²	134	87.1 Å²	87.1	82%	0.822	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-103.7	120.4	168	49.7	0	0	0	0	107.9	R63	R63-T65 PolarHBondContact O-N 2.9Å
66	C	62.3	Low	64.9	Low	35 Å²	35	85.2 Å²	85.2	24%	0.236	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-58.6	155.6	-174	-48.8	0	0	0	0	113.3	E70 C78	C66-E70 HydrophobicContact CB-CB 3.8Å; C66-C78 WeakPolarHBondContact CA-SG 3.36Å; C66-C78 HydrophobicContact CB-CB 3.7Å; C66-C78 WeakPolarHBondContact CB-SG 3.28Å; C66-C78 VanDerWaalsContact SG-CA 3.55Å; C66-C78 WeakPolarHBondContact SG-CB 3.25Å; C66-C78 CovalentContact SG-SG 2.03Å; C66-C78 PolarHBondContact SG-SG 2.82Å
67	A	61.4	Low	64.1	Low	45 Å²	45	90.2 Å²	90.2	37%	0.372	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-67	160.8	177.7	0	0	0	0	0	111.8	A69 E70	A67-A69 PolarHBondContact O-N 2.86Å; A67-E70 HydrophobicContact CB-CG 4.17Å; A67-E70 WeakPolarHBondContact CB-OE2 3.35Å; A67-E70 PolarHBondContact N-OE2 3.29Å; A67-E70 PolarHBondContact O-N 2.94Å
68	P	56.6	Low	64	Low	148 Å²	148	92.6 Å²	92.6	96%	0.961	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-9.1	-178.1	-25.4	35.6	0	0	0	116.4
69	A	58.5	Low	63.6	Low	80 Å²	80	91.5 Å²	91.5	66%	0.661	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	12.7	177.6	0	0	0	0	0	113.1	A67 G81	A67-A69 PolarHBondContact O-N 2.86Å; A69-G81 WeakPolarHBondContact O-CA 3.08Å; A69-G81 PolarHBondContact O-N 2.97Å
70	E	70.6	Confident	63.5	Low	90 Å²	90	87.8 Å²	87.8	42%	0.421	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144	-176.7	-68	170.1	171	0	0	110.9	C66 A67 C78 V79	C66-E70 HydrophobicContact CB-CB 3.8Å; A67-E70 HydrophobicContact CB-CG 4.17Å; A67-E70 WeakPolarHBondContact CB-OE2 3.35Å; A67-E70 PolarHBondContact N-OE2 3.29Å; A67-E70 PolarHBondContact O-N 2.94Å; E70-C78 HydrophobicContact CB-CB 4.33Å; E70-V79 CarbonylContact C-O 3.41Å; E70-V79 VanDerWaalsContact CA-O 3.29Å; E70-V79 WeakPolarHBondContact CA-O 3.47Å; E70-V79 WeakPolarHBondContact CB-O 3.41Å
71	F	72.4	Confident	63.6	Low	38 Å²	38	82.2 Å²	82.2	17%	0.167	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.1	172.1	175.9	-106.2	0	0	0	110.2	C78 V79 R84 D96 T101	F71-C78 WeakPolarHBondContact O-CA 3.45Å; F71-V79 HydrophobicContact CB-CG2 4.06Å; F71-V79 HydrophobicContact CD1-CG2 3.87Å; F71-V79 HydrophobicContact CG-CG2 4.48Å; F71-V79 PolarHBondContact N-O 3.09Å; F71-V79 PolarHBondContact O-N 2.76Å; F71-R84 HydrophobicContact CD2-CG 4.48Å; F71-R84 HydrophobicContact CG-CG 4.48Å; F71-D96 HydrophobicContact CD1-CB 4.41Å; F71-D96 HydrophobicContact CE1-CB 4.18Å; F71-T101 HydrophobicContact CE2-CG2 4.17Å; F71-T101 HydrophobicContact CZ-CG2 4.08Å
72	A	72.1	Confident	63.6	Low	53 Å²	53	88 Å²	88	44%	0.438	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.3	179.2	0	0	0	0	0	110.7
73	C	71.1	Confident	63.9	Low	4 Å²	4	87.5 Å²	87.5	3%	0.027	48%	0.483	C	S	.	.			trans	-61.6	156.9	169.1	-53.3	0	0	0	0	110.7	N75 G76 Q77 C91	C73-N75 PolarHBondContact O-N 3.01Å; C73-N75 VanDerWaalsContact O-N 3.15Å; C73-G76 PolarHBondContact O-N 3.06Å; C73-Q77 HydrophobicContact CB-CB 4.39Å; C73-Q77 PolarHBondContact N-O 3.5Å; C73-C91 VanDerWaalsContact CA-SG 3.6Å; C73-C91 HydrophobicContact CB-CB 3.8Å; C73-C91 WeakPolarHBondContact CB-SG 3.26Å; C73-C91 VanDerWaalsContact SG-CA 3.52Å; C73-C91 WeakPolarHBondContact SG-CB 3.43Å; C73-C91 CovalentContact SG-SG 2.04Å; C73-C91 PolarHBondContact SG-SG 2.99Å
74	L	67.5	Low	65	Low	158 Å²	158	80.4 Å²	80.4	83%	0.827	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.9	-175.6	-120.6	70.1	0	0	0	114.3	G76 S95	L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 3.42Å; L74-S95 PolarHBondContact N-OG 3.2Å
75	N	60.8	Low	65.9	Low	122 Å²	122	76.8 Å²	76.8	65%	0.652	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-3.8	172.7	-103.1	-50.4	0	0	0	114.8	C73 D93	C73-N75 PolarHBondContact O-N 3.01Å; C73-N75 VanDerWaalsContact O-N 3.15Å; N75-D93 WeakPolarHBondContact CB-OD2 3.42Å; N75-D93 VanDerWaalsContact ND2-CG 3.34Å; N75-D93 PolarHBondContact ND2-OD1 3.48Å; N75-D93 PolarHBondContact ND2-OD2 3.31Å
76	G	64.4	Low	66.2	Low	43 Å²	43	74.5 Å²	74.5	44%	0.443	43%	0.429	S	S	.	.	S	Bend	trans	88.3	9.8	178.9	0	0	0	0	0	115.6	C73 L74	C73-G76 PolarHBondContact O-N 3.06Å; L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 3.42Å
77	Q	66.5	Low	66.1	Low	110 Å²	110	75.4 Å²	75.4	51%	0.514	44%	0.444	S	S	.	.			trans	-73.4	151.8	162.5	-76.2	-177.2	-42.4	0	0	110.8	C73 P92	C73-Q77 HydrophobicContact CB-CB 4.39Å; C73-Q77 PolarHBondContact N-O 3.5Å; Q77-P92 VanDerWaalsContact OE1-CD 3.31Å
78	C	74.7	Confident	66.3	Low	50 Å²	50	79.9 Å²	79.9	34%	0.338	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.8	178.4	-54.6	0	0	0	0	109.3	C66 E70 F71	C66-C78 WeakPolarHBondContact CA-SG 3.36Å; C66-C78 HydrophobicContact CB-CB 3.7Å; C66-C78 WeakPolarHBondContact CB-SG 3.28Å; C66-C78 VanDerWaalsContact SG-CA 3.55Å; C66-C78 WeakPolarHBondContact SG-CB 3.25Å; C66-C78 CovalentContact SG-SG 2.03Å; C66-C78 PolarHBondContact SG-SG 2.82Å; E70-C78 HydrophobicContact CB-CB 4.33Å; F71-C78 WeakPolarHBondContact O-CA 3.45Å
79	V	72.9	Confident	66.9	Low	15 Å²	15	77.2 Å²	77.2	9%	0.091	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	152.8	170.1	-65.1	0	0	0	0	109.6	E70 F71 G81	E70-V79 CarbonylContact C-O 3.41Å; E70-V79 VanDerWaalsContact CA-O 3.29Å; E70-V79 WeakPolarHBondContact CA-O 3.47Å; E70-V79 WeakPolarHBondContact CB-O 3.41Å; F71-V79 HydrophobicContact CB-CG2 4.06Å; F71-V79 HydrophobicContact CD1-CG2 3.87Å; F71-V79 HydrophobicContact CG-CG2 4.48Å; F71-V79 PolarHBondContact N-O 3.09Å; F71-V79 PolarHBondContact O-N 2.76Å; V79-G81 PolarHBondContact O-N 2.99Å
80	P	73.6	Confident	67.8	Low	45 Å²	45	76.4 Å²	76.4	29%	0.292	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	135.2	177.3	-24	35.9	0	0	0	110.6	R82 W83	P80-R82 HydrophobicContact CB-CG 3.91Å; P80-R82 PolarHBondContact O-N 2.03Å; P80-W83 WeakPolarHBondContact O-CB 3Å; P80-W83 PolarHBondContact O-N 2.63Å
81	G	63.7	Low	67.9	Low	44 Å²	44	72.1 Å²	72.1	45%	0.454	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	6	-172.1	0	0	0	0	0	116.7	A69 V79	A69-G81 WeakPolarHBondContact O-CA 3.08Å; A69-G81 PolarHBondContact O-N 2.97Å; V79-G81 PolarHBondContact O-N 2.99Å
82	R	66.5	Low	67.7	Low	162 Å²	162	74.9 Å²	74.9	61%	0.611	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-22.2	166.5	54.9	156.7	-164.5	-92.7	-2.8	113.3	P80 R84 D86	P80-R82 HydrophobicContact CB-CG 3.91Å; P80-R82 PolarHBondContact O-N 2.03Å; R82-R84 PolarHBondContact O-N 2.86Å; R82-D86 VanDerWaalsContact O-CG 3.28Å
83	W	64.9	Low	67.4	Low	95 Å²	95	76.5 Å²	76.5	36%	0.36	43%	0.426	S	S	.	.	S	Bend	trans	-95.2	77.1	-179.8	-70.1	-3.3	0	0	0	107.4	P80 D86 E90	P80-W83 WeakPolarHBondContact O-CB 3Å; P80-W83 PolarHBondContact O-N 2.63Å; W83-D86 WeakPolarHBondContact CA-OD1 3.42Å; W83-E90 HydrophobicContact CD2-CG 4.26Å; W83-E90 HydrophobicContact CE3-CB 3.82Å; W83-E90 HydrophobicContact CE3-CG 3.67Å; W83-E90 HydrophobicContact CZ3-CB 4.16Å; W83-E90 HydrophobicContact CZ3-CG 3.82Å
84	R	67.3	Low	67.2	Low	92 Å²	92	77.5 Å²	77.5	35%	0.347	44%	0.437	S	S	.	.	S	Bend	trans	-176.7	111.3	-171.7	-176.8	-174.8	175.3	-142.2	-15	109.1	F71 R82 D86 T101	F71-R84 HydrophobicContact CD2-CG 4.48Å; F71-R84 HydrophobicContact CG-CG 4.48Å; R82-R84 PolarHBondContact O-N 2.86Å; R84-D86 VanDerWaalsContact C-N 3.27Å; R84-D86 PolarHBondContact N-OD1 3.37Å; R84-T101 HydrophobicContact CG-CG2 4.3Å; R84-T101 VanDerWaalsContact NE-CG2 3.26Å; R84-T101 PolarHBondContact NH2-O 2.9Å
85	C	65.1	Low	67.4	Low	49 Å²	49	70.4 Å²	70.4	33%	0.331	40%	0.401	S	S	.	.	S	Bend	trans	64.3	26	-173	-60.8	0	0	0	0	114	E97 C102	C85-E97 WeakPolarHBondContact CA-OE1 3.03Å; C85-E97 PolarHBondContact N-OE1 3.44Å; C85-C102 HydrophobicContact CB-CB 4.49Å; C85-C102 WeakPolarHBondContact CB-SG 3.29Å; C85-C102 WeakPolarHBondContact SG-CA 3.46Å; C85-C102 WeakPolarHBondContact SG-CB 3.49Å; C85-C102 CovalentContact SG-SG 2.04Å; C85-C102 PolarHBondContact SG-SG 2.96Å
86	D	58.5	Low	67.8	Low	86 Å²	86	64.6 Å²	64.6	46%	0.46	37%	0.37	S	S	.	.	S	Bend	trans	-99.4	-5.6	169.7	49.7	-29.4	0	0	0	113.6	R82 W83 R84 E97	R82-D86 VanDerWaalsContact O-CG 3.28Å; W83-D86 WeakPolarHBondContact CA-OD1 3.42Å; R84-D86 VanDerWaalsContact C-N 3.27Å; R84-D86 PolarHBondContact N-OD1 3.37Å; D86-E97 PolarHBondContact N-OE1 3.32Å
87	G	58.3	Low	68.2	Low	55 Å²	55	65.4 Å²	65.4	57%	0.567	36%	0.362	S	S	*	.	S	Bend	trans	101.9	-1.1	159.3	0	0	0	0	0	116.5	E97	G87-E97 WeakPolarHBondContact CA-OE2 3.01Å; G87-E97 VanDerWaalsContact N-CD 3.29Å; G87-E97 PolarHBondContact N-OE1 2.97Å; G87-E97 PolarHBondContact N-OE2 3.11Å
88	E	66.9	Low	68.4	Low	139 Å²	139	61.8 Å²	61.8	65%	0.65	35%	0.35	S	S	*	.	S	Bend	trans	-113.1	147.2	165.8	-68.8	-162.7	-158.5	0	0	109.9	E97	E88-E97 WeakPolarHBondContact O-CG 3.38Å
89	P	68.1	Low	67.7	Low	92 Å²	92	67.1 Å²	67.1	60%	0.597	37%	0.371	S	S	*	.			trans	-96.2	94.3	-176.9	34.5	-32	0	0	0	111.9
90	E	77.8	Confident	67.1	Low	62 Å²	62	75.6 Å²	75.6	29%	0.29	41%	0.409	S	S	.	.			trans	-87.7	-24.4	175.9	-60.8	92.3	-171.4	0	0	114.1	W83 P92 D96	W83-E90 HydrophobicContact CD2-CG 4.26Å; W83-E90 HydrophobicContact CE3-CB 3.82Å; W83-E90 HydrophobicContact CE3-CG 3.67Å; W83-E90 HydrophobicContact CZ3-CB 4.16Å; W83-E90 HydrophobicContact CZ3-CG 3.82Å; E90-P92 WeakPolarHBondContact O-CD 3.06Å; E90-D96 PolarHBondContact N-OD2 3.13Å; E90-D96 VanDerWaalsContact N-OD2 3.11Å
91	C	73.9	Confident	66.5	Low	1 Å²	1	75.5 Å²	75.5	1%	0.007	41%	0.408	C	S	.	.	S	Bend	trans	-63.2	125.7	159.9	-75.5	0	0	0	0	108.7	C73 D93 G94 D96	C73-C91 VanDerWaalsContact CA-SG 3.6Å; C73-C91 HydrophobicContact CB-CB 3.8Å; C73-C91 WeakPolarHBondContact CB-SG 3.26Å; C73-C91 VanDerWaalsContact SG-CA 3.52Å; C73-C91 WeakPolarHBondContact SG-CB 3.43Å; C73-C91 CovalentContact SG-SG 2.04Å; C73-C91 PolarHBondContact SG-SG 2.99Å; C91-D93 PolarHBondContact O-N 2.04Å; C91-G94 PolarHBondContact O-N 2.73Å; C91-D96 WeakPolarHBondContact CB-OD2 3.3Å; C91-D96 PolarHBondContact N-OD2 3.2Å; C91-D96 PolarHBondContact SG-OD2 2.99Å
92	P	66.8	Low	66.4	Low	96 Å²	96	75 Å²	75	62%	0.623	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.5	-179.3	-28.2	36.8	0	0	0	115.7	Q77 E90	Q77-P92 VanDerWaalsContact OE1-CD 3.31Å; E90-P92 WeakPolarHBondContact O-CD 3.06Å
93	D	65.8	Low	65.7	Low	87 Å²	87	71 Å²	71	47%	0.465	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	2.7	175.7	-53.3	-73.5	0	0	0	114.1	N75 C91 S95	N75-D93 WeakPolarHBondContact CB-OD2 3.42Å; N75-D93 VanDerWaalsContact ND2-CG 3.34Å; N75-D93 PolarHBondContact ND2-OD1 3.48Å; N75-D93 PolarHBondContact ND2-OD2 3.31Å; C91-D93 PolarHBondContact O-N 2.04Å; D93-S95 PolarHBondContact O-N 3.48Å
94	G	67.9	Low	65.1	Low	25 Å²	25	76 Å²	76	26%	0.258	42%	0.418	S	S	.	.			trans	61.8	38.9	-175.9	0	0	0	0	0	114.1	C91 D96 A98	C91-G94 PolarHBondContact O-N 2.73Å; G94-D96 WeakPolarHBondContact CA-OD1 3.21Å; G94-A98 PolarHBondContact O-N 3.11Å
95	S	70.8	Confident	64.3	Low	9 Å²	9	77.4 Å²	77.4	6%	0.063	43%	0.429	C	S	.	.			trans	-80.4	-27.5	-174.6	-53.6	0	0	0	0	114.1	L74 D93 T101	L74-S95 PolarHBondContact N-OG 3.2Å; D93-S95 PolarHBondContact O-N 3.48Å; S95-T101 PolarHBondContact O-OG1 2.99Å
96	D	68.4	Low	63.7	Low	0 Å²	0	80.6 Å²	80.6	0%	0	45%	0.447	C	S	.	.	S	Bend	trans	-60.5	-55.1	169.3	35	18	0	0	0	111.2	F71 E90 C91 G94 A98	F71-D96 HydrophobicContact CD1-CB 4.41Å; F71-D96 HydrophobicContact CE1-CB 4.18Å; E90-D96 PolarHBondContact N-OD2 3.13Å; E90-D96 VanDerWaalsContact N-OD2 3.11Å; C91-D96 WeakPolarHBondContact CB-OD2 3.3Å; C91-D96 PolarHBondContact N-OD2 3.2Å; C91-D96 PolarHBondContact SG-OD2 2.99Å; G94-D96 WeakPolarHBondContact CA-OD1 3.21Å; D96-A98 VanDerWaalsContact C-N 3.3Å; D96-A98 PolarHBondContact O-N 2.76Å
97	E	74.1	Confident	63.5	Low	60 Å²	60	77.6 Å²	77.6	28%	0.28	43%	0.432	S	S	.	.	S	Bend	trans	-87.5	8.1	-177.7	-66.7	-55	126	0	0	113.8	C85 D86 G87 E88 E99	C85-E97 WeakPolarHBondContact CA-OE1 3.03Å; C85-E97 PolarHBondContact N-OE1 3.44Å; D86-E97 PolarHBondContact N-OE1 3.32Å; G87-E97 WeakPolarHBondContact CA-OE2 3.01Å; G87-E97 VanDerWaalsContact N-CD 3.29Å; G87-E97 PolarHBondContact N-OE1 2.97Å; G87-E97 PolarHBondContact N-OE2 3.11Å; E88-E97 WeakPolarHBondContact O-CG 3.38Å; E97-E99 PolarHBondContact O-N 3.16Å
98	A	70.1	Confident	63.5	Low	33 Å²	33	78.3 Å²	78.3	27%	0.273	43%	0.427	S	S	.	.			trans	-64.1	130.2	179	0	0	0	0	0	111.3	G94 D96 E100 T101 C102	G94-A98 PolarHBondContact O-N 3.11Å; D96-A98 VanDerWaalsContact C-N 3.3Å; D96-A98 PolarHBondContact O-N 2.76Å; A98-E100 PolarHBondContact O-N 2.98Å; A98-E100 VanDerWaalsContact O-N 3.09Å; A98-T101 WeakPolarHBondContact O-CA 3.49Å; A98-T101 VanDerWaalsContact O-CB 3.25Å; A98-T101 WeakPolarHBondContact O-CB 3.49Å; A98-T101 PolarHBondContact O-N 3.19Å; A98-C102 PolarHBondContact O-N 3.39Å
99	E	60.3	Low	63	Low	163 Å²	163	77.7 Å²	77.7	76%	0.762	44%	0.435	S	S	*	.	H	α-helix	trans	-55.1	-34.7	-178.5	-168.2	176.6	179	0	0	112.2	E97 T101 C102 S103	E97-E99 PolarHBondContact O-N 3.16Å; E99-T101 PolarHBondContact O-N 3.3Å; E99-C102 PolarHBondContact O-N 3.24Å; E99-S103 VanDerWaalsContact O-CB 3.28Å; E99-S103 WeakPolarHBondContact O-CB 3.49Å; E99-S103 PolarHBondContact O-N 3.34Å; E99-S103 PolarHBondContact O-OG 2.92Å
100	E	60.4	Low	62.5	Low	192 Å²	192	81 Å²	81	90%	0.897	44%	0.442	S	S	*	.	H	α-helix	trans	-69.7	-27.8	175.9	-163.9	165.3	-141.9	0	0	113.3	A98	A98-E100 PolarHBondContact O-N 2.98Å; A98-E100 VanDerWaalsContact O-N 3.09Å
101	T	61.5	Low	61.8	Low	43 Å²	43	83.2 Å²	83.2	26%	0.264	45%	0.451	S	S	.	.	H	α-helix	trans	-76.1	-33.7	172	-61.4	0	0	0	0	112	F71 R84 S95 A98 E99	F71-T101 HydrophobicContact CE2-CG2 4.17Å; F71-T101 HydrophobicContact CZ-CG2 4.08Å; R84-T101 HydrophobicContact CG-CG2 4.3Å; R84-T101 VanDerWaalsContact NE-CG2 3.26Å; R84-T101 PolarHBondContact NH2-O 2.9Å; S95-T101 PolarHBondContact O-OG1 2.99Å; A98-T101 WeakPolarHBondContact O-CA 3.49Å; A98-T101 VanDerWaalsContact O-CB 3.25Å; A98-T101 WeakPolarHBondContact O-CB 3.49Å; A98-T101 PolarHBondContact O-N 3.19Å; E99-T101 PolarHBondContact O-N 3.3Å
102	C	60.8	Low	61.5	Low	33 Å²	33	85.3 Å²	85.3	22%	0.223	46%	0.46	C	S	.	.	H	α-helix	trans	-102	-18.3	-166.3	-149.2	0	0	0	0	115.4	C85 A98 E99 K104	C85-C102 HydrophobicContact CB-CB 4.49Å; C85-C102 WeakPolarHBondContact CB-SG 3.29Å; C85-C102 WeakPolarHBondContact SG-CA 3.46Å; C85-C102 WeakPolarHBondContact SG-CB 3.49Å; C85-C102 CovalentContact SG-SG 2.04Å; C85-C102 PolarHBondContact SG-SG 2.96Å; A98-C102 PolarHBondContact O-N 3.39Å; E99-C102 PolarHBondContact O-N 3.24Å; C102-K104 PolarHBondContact O-N 3.49Å
103	S	52.9	Low	61.7	Low	78 Å²	78	83.9 Å²	83.9	55%	0.545	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	6.9	-173.2	-75.9	0	0	0	0	118.3	E99	E99-S103 VanDerWaalsContact O-CB 3.28Å; E99-S103 WeakPolarHBondContact O-CB 3.49Å; E99-S103 PolarHBondContact O-N 3.34Å; E99-S103 PolarHBondContact O-OG 2.92Å
104	K	52.3	Low	61.7	Low	202 Å²	202	80 Å²	80	88%	0.878	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	22.6	-168.7	-72.3	-171.8	-179.8	167.3	0	117	C102	C102-K104 PolarHBondContact O-N 3.49Å
105	Q	49.3	Very low	61.4	Low	121 Å²	121	81.6 Å²	81.6	57%	0.565	44%	0.443	S	S	*	.			trans	-115	129	170	-80.7	179.2	-106.5	0	0	112.7
106	T	52	Low	60.8	Low	116 Å²	116	83 Å²	83	71%	0.712	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-82.6	154.1	157.7	-44.7	0	0	0	0	108.1
107	C	55.2	Low	59.9	Low	22 Å²	22	89.3 Å²	89.3	15%	0.149	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-55.8	148.4	-177.5	-60.7	0	0	0	0	113.4	K111 D113 C121	C107-K111 HydrophobicContact CB-CB 4.3Å; C107-D113 HydrophobicContact CB-CB 4.39Å; C107-C121 VanDerWaalsContact CA-SG 3.5Å; C107-C121 HydrophobicContact CB-CB 3.83Å; C107-C121 WeakPolarHBondContact CB-SG 3.01Å; C107-C121 VanDerWaalsContact SG-CA 3.59Å; C107-C121 WeakPolarHBondContact SG-CB 3.03Å; C107-C121 CovalentContact SG-SG 2.04Å; C107-C121 PolarHBondContact SG-SG 3.45Å
108	P	58	Low	59	Low	71 Å²	71	90.1 Å²	90.1	46%	0.461	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-55.9	153.1	170.2	-23.7	34.1	0	0	0	111.7	E110 K111	P108-E110 PolarHBondContact O-N 2.98Å; P108-K111 PolarHBondContact O-N 2.93Å
109	P	55.7	Low	58.3	Low	126 Å²	126	93.6 Å²	93.6	82%	0.818	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-6.4	-173.5	27.4	-36.4	0	0	0	115.3
110	E	58.9	Low	58.3	Low	160 Å²	160	90.4 Å²	90.4	75%	0.748	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	2.4	176.9	-63.8	173.8	176.6	0	0	112.8	P108 L124	P108-E110 PolarHBondContact O-N 2.98Å; E110-L124 WeakPolarHBondContact O-CG 3.26Å
111	K	63.3	Low	58.7	Low	109 Å²	109	83.1 Å²	83.1	47%	0.474	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.4	179.9	-71.6	-164.1	173.9	-166.5	0	112.2	C107 P108 C121 V122	C107-K111 HydrophobicContact CB-CB 4.3Å; P108-K111 PolarHBondContact O-N 2.93Å; K111-C121 HydrophobicContact CB-CB 4.04Å; K111-C121 HydrophobicContact CD-CB 3.8Å; K111-V122 CarbonylContact C-O 3.49Å; K111-V122 VanDerWaalsContact CA-O 3.25Å; K111-V122 WeakPolarHBondContact CA-O 3.43Å; K111-V122 WeakPolarHBondContact CB-O 3.2Å
112	F	67.3	Low	59	Low	46 Å²	46	81.3 Å²	81.3	20%	0.202	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.3	174.3	-175.5	-108.2	0	0	0	110.6	C121 V122 L124 R127 D139	F112-C121 CarbonylContact O-C 3.55Å; F112-C121 VanDerWaalsContact O-CA 3.32Å; F112-C121 WeakPolarHBondContact O-CA 3.43Å; F112-V122 HydrophobicContact CB-CG2 3.95Å; F112-V122 HydrophobicContact CD1-CG2 3.9Å; F112-V122 HydrophobicContact CG-CG2 4.44Å; F112-V122 PolarHBondContact N-O 3.44Å; F112-V122 PolarHBondContact O-N 3.39Å; F112-L124 HydrophobicContact CB-CD2 4.25Å; F112-R127 HydrophobicContact CD2-CG 4.46Å; F112-R127 HydrophobicContact CE2-CG 4.34Å; F112-R127 HydrophobicContact CZ-CG 4.46Å; F112-D139 HydrophobicContact CE1-CB 4.37Å
113	D	70.3	Confident	59.2	Low	66 Å²	66	81.8 Å²	81.8	35%	0.353	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.7	177.3	-175.9	-15.5	0	0	0	109.4	C107 G115	C107-D113 HydrophobicContact CB-CB 4.39Å; D113-G115 PolarHBondContact O-N 3.41Å; D113-G115 PolarHBondContact OD1-N 2.81Å
114	C	65.9	Low	59.8	Low	6 Å²	6	82.6 Å²	82.6	4%	0.041	47%	0.47	C	S	.	.			trans	-66.3	-11.8	179.1	-67.7	0	0	0	0	114.1	K120 C134 N136 A138	C114-K120 WeakPolarHBondContact CB-O 3.37Å; C114-K120 PolarHBondContact N-O 3.03Å; C114-K120 PolarHBondContact SG-O 3.4Å; C114-K120 VanDerWaalsContact SG-O 3.35Å; C114-C134 WeakPolarHBondContact CA-SG 3.38Å; C114-C134 HydrophobicContact CB-CB 3.67Å; C114-C134 WeakPolarHBondContact CB-SG 3.44Å; C114-C134 WeakPolarHBondContact SG-CA 3.45Å; C114-C134 WeakPolarHBondContact SG-CB 3.36Å; C114-C134 CovalentContact SG-SG 2.04Å; C114-C134 PolarHBondContact SG-SG 2.78Å; C114-N136 PolarHBondContact O-ND2 3.15Å; C114-N136 PolarHBondContact O-OD1 3.31Å; C114-A138 WeakPolarHBondContact O-CB 3.32Å
115	G	61.6	Low	60.3	Low	57 Å²	57	76.6 Å²	76.6	59%	0.588	45%	0.453	S	S	*	.			trans	64.6	58	170.5	0	0	0	0	0	114.4	D113 N136	D113-G115 PolarHBondContact O-N 3.41Å; D113-G115 PolarHBondContact OD1-N 2.81Å; G115-N136 PolarHBondContact O-ND2 2.76Å
116	G	59.1	Low	61	Low	39 Å²	39	76.1 Å²	76.1	40%	0.402	45%	0.446	S	S	.	.	S	Bend	trans	-139.1	-175	-179.7	0	0	0	0	0	113.8	T118	G116-T118 PolarHBondContact O-N 2.04Å
117	S	49.8	Very low	61.7	Low	132 Å²	132	75.1 Å²	75.1	92%	0.923	43%	0.43	S	S	*	.	S	Bend	trans	-75.4	5.2	169.9	54	0	0	0	0	113.6
118	T	53.6	Low	62.1	Low	78 Å²	78	76.8 Å²	76.8	48%	0.479	44%	0.441	S	S	.	.	S	Bend	trans	-122.3	118.2	169.4	40.1	0	0	0	0	106.4	G116 K120	G116-T118 PolarHBondContact O-N 2.04Å; T118-K120 PolarHBondContact O-N 3.25Å
119	N	56.2	Low	62.1	Low	105 Å²	105	77.1 Å²	77.1	56%	0.561	44%	0.438	S	S	*	.			trans	-75.7	56.1	-177.3	-70.7	-3.8	0	0	0	111.4	C121	N119-C121 PolarHBondContact O-N 2.97Å
120	K	60.2	Low	62.2	Low	96 Å²	96	73.7 Å²	73.7	42%	0.417	43%	0.426	S	S	.	.			trans	-80.7	115.6	-177.5	-167.4	-174.2	-178.3	-171.1	0	109.9	C114 T118 D133	C114-K120 WeakPolarHBondContact CB-O 3.37Å; C114-K120 PolarHBondContact N-O 3.03Å; C114-K120 PolarHBondContact SG-O 3.4Å; C114-K120 VanDerWaalsContact SG-O 3.35Å; T118-K120 PolarHBondContact O-N 3.25Å; K120-D133 PolarHBondContact NZ-O 3.46Å
121	C	68.1	Low	62.3	Low	39 Å²	39	72.9 Å²	72.9	26%	0.264	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.3	176.2	-57.1	0	0	0	0	110.8	C107 K111 F112 N119	C107-C121 VanDerWaalsContact CA-SG 3.5Å; C107-C121 HydrophobicContact CB-CB 3.83Å; C107-C121 WeakPolarHBondContact CB-SG 3.01Å; C107-C121 VanDerWaalsContact SG-CA 3.59Å; C107-C121 WeakPolarHBondContact SG-CB 3.03Å; C107-C121 CovalentContact SG-SG 2.04Å; C107-C121 PolarHBondContact SG-SG 3.45Å; K111-C121 HydrophobicContact CB-CB 4.04Å; K111-C121 HydrophobicContact CD-CB 3.8Å; F112-C121 CarbonylContact O-C 3.55Å; F112-C121 VanDerWaalsContact O-CA 3.32Å; F112-C121 WeakPolarHBondContact O-CA 3.43Å; N119-C121 PolarHBondContact O-N 2.97Å
122	V	68.3	Low	62.6	Low	5 Å²	5	74.5 Å²	74.5	3%	0.03	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	171.1	174.2	-63.7	0	0	0	0	111.2	K111 F112 W126 D133	K111-V122 CarbonylContact C-O 3.49Å; K111-V122 VanDerWaalsContact CA-O 3.25Å; K111-V122 WeakPolarHBondContact CA-O 3.43Å; K111-V122 WeakPolarHBondContact CB-O 3.2Å; F112-V122 HydrophobicContact CB-CG2 3.95Å; F112-V122 HydrophobicContact CD1-CG2 3.9Å; F112-V122 HydrophobicContact CG-CG2 4.44Å; F112-V122 PolarHBondContact N-O 3.44Å; F112-V122 PolarHBondContact O-N 3.39Å; V122-W126 HydrophobicContact CB-CB 4.39Å; V122-W126 HydrophobicContact CB-CE3 4.01Å; V122-W126 HydrophobicContact CG1-CE3 4.22Å; V122-W126 HydrophobicContact CG2-CB 4.47Å; V122-D133 HydrophobicContact CG1-CB 4.04Å
123	S	66.3	Low	62.8	Low	44 Å²	44	74.3 Å²	74.3	31%	0.308	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	149.4	176.2	-174.9	0	0	0	0	111.1	S125 W126	S123-S125 VanDerWaalsContact CB-OG 3.25Å; S123-S125 WeakPolarHBondContact CB-OG 3.43Å; S123-S125 PolarHBondContact O-N 3.02Å; S123-S125 PolarHBondContact OG-N 2.82Å; S123-S125 VanDerWaalsContact OG-N 3.16Å; S123-S125 PolarHBondContact OG-OG 2.75Å; S123-W126 PolarHBondContact O-N 3.02Å
124	L	64.5	Low	62.8	Low	95 Å²	95	71.2 Å²	71.2	50%	0.497	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.8	165.8	-82	176.3	0	0	0	113.1	E110 F112 W126	E110-L124 WeakPolarHBondContact O-CG 3.26Å; F112-L124 HydrophobicContact CB-CD2 4.25Å; L124-W126 VanDerWaalsContact C-N 3.31Å
125	S	62.6	Low	62.7	Low	75 Å²	75	79 Å²	79	52%	0.524	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.3	170.7	63.1	0	0	0	0	113.7	S123	S123-S125 VanDerWaalsContact CB-OG 3.25Å; S123-S125 WeakPolarHBondContact CB-OG 3.43Å; S123-S125 PolarHBondContact O-N 3.02Å; S123-S125 PolarHBondContact OG-N 2.82Å; S123-S125 VanDerWaalsContact OG-N 3.16Å; S123-S125 PolarHBondContact OG-OG 2.75Å
126	W	64.9	Low	62.9	Low	112 Å²	112	80.3 Å²	80.3	42%	0.424	44%	0.443	S	S	.	.	S	Bend	trans	-103.1	53.3	-179.6	-58.7	-15.5	0	0	0	110	V122 S123 L124 D129 D133 D139	V122-W126 HydrophobicContact CB-CB 4.39Å; V122-W126 HydrophobicContact CB-CE3 4.01Å; V122-W126 HydrophobicContact CG1-CE3 4.22Å; V122-W126 HydrophobicContact CG2-CB 4.47Å; S123-W126 PolarHBondContact O-N 3.02Å; L124-W126 VanDerWaalsContact C-N 3.31Å; W126-D129 WeakPolarHBondContact CA-OD2 3.48Å; W126-D133 HydrophobicContact CB-CB 4.45Å; W126-D133 HydrophobicContact CD2-CB 4.39Å; W126-D133 HydrophobicContact CE3-CB 3.68Å; W126-D133 VanDerWaalsContact CE3-CG 3.47Å; W126-D133 HydrophobicContact CZ3-CB 4.25Å; W126-D139 WeakPolarHBondContact O-CB 3.05Å
127	R	65.3	Low	63.2	Low	95 Å²	95	78.5 Å²	78.5	36%	0.358	43%	0.425	S	S	.	.	S	Bend	trans	-140.2	117.4	174.7	-179.6	-167.9	175.2	-132.9	-6	107	F112 D129 D146	F112-R127 HydrophobicContact CD2-CG 4.46Å; F112-R127 HydrophobicContact CE2-CG 4.34Å; F112-R127 HydrophobicContact CZ-CG 4.46Å; R127-D129 VanDerWaalsContact C-N 3.27Å; R127-D129 PolarHBondContact O-N 3.06Å; R127-D146 IonicContact CZ-OD2 3.3Å; R127-D146 VanDerWaalsContact CZ-OD2 3.3Å; R127-D146 IonicContact NH1-OD2 2.87Å; R127-D146 PolarHBondContact NH1-OD2 3.41Å; R127-D146 IonicContact NH2-OD2 2.78Å; R127-D146 PolarHBondContact NH2-OD2 3.42Å
128	C	63.5	Low	64.3	Low	56 Å²	56	73.7 Å²	73.7	38%	0.378	39%	0.393	S	S	.	.	S	Bend	trans	60.8	30.9	-174.4	-50.5	0	0	0	0	114.1	D139 E140 C143	C128-D139 PolarHBondContact N-O 3.2Å; C128-E140 VanDerWaalsContact C-OE1 3.27Å; C128-E140 WeakPolarHBondContact CA-OE1 3.04Å; C128-E140 PolarHBondContact N-OE1 3.06Å; C128-C143 VanDerWaalsContact CA-SG 3.52Å; C128-C143 HydrophobicContact CB-CB 3.81Å; C128-C143 WeakPolarHBondContact CB-SG 3.48Å; C128-C143 VanDerWaalsContact SG-CA 3.58Å; C128-C143 WeakPolarHBondContact SG-CB 3.04Å; C128-C143 CovalentContact SG-SG 2.03Å; C128-C143 PolarHBondContact SG-SG 3.22Å
129	D	57.8	Low	65	Low	78 Å²	78	70 Å²	70	42%	0.417	37%	0.371	S	S	.	.	S	Bend	trans	-91.5	-13.4	174.4	73.2	0.5	0	0	0	113.2	W126 R127 E131 E140	W126-D129 WeakPolarHBondContact CA-OD2 3.48Å; R127-D129 VanDerWaalsContact C-N 3.27Å; R127-D129 PolarHBondContact O-N 3.06Å; D129-E131 PolarHBondContact OD1-N 3.13Å; D129-E131 VanDerWaalsContact OD1-N 3.12Å; D129-E140 PolarHBondContact N-OE1 3.05Å; D129-E140 VanDerWaalsContact N-OE1 3.08Å
130	G	58.7	Low	65.8	Low	55 Å²	55	67.6 Å²	67.6	57%	0.567	36%	0.356	S	S	*	.	S	Bend	trans	101.3	-4.6	174.8	0	0	0	0	0	115.4	E140	G130-E140 PolarHBondContact N-OE1 3.39Å
131	E	61.4	Low	65.8	Low	142 Å²	142	70 Å²	70	66%	0.664	37%	0.369	S	S	*	.	S	Bend	trans	-98.1	179.9	169	-60.6	-151.2	-167.2	0	0	111	D129 E140	D129-E131 PolarHBondContact OD1-N 3.13Å; D129-E131 VanDerWaalsContact OD1-N 3.12Å; E131-E140 WeakPolarHBondContact O-CG 3.43Å
132	K	68.6	Low	65.4	Low	143 Å²	143	74 Å²	74	62%	0.622	39%	0.388	S	S	*	.			trans	-128.7	80.7	-176.1	-73.8	-160	171.5	-132.5	0	110.9	E140	K132-E140 HydrophobicContact CG-CG 4.34Å
133	D	72.6	Confident	65	Low	43 Å²	43	76.2 Å²	76.2	23%	0.23	40%	0.403	C	S	.	.			trans	-86.4	-29.2	-179.3	-80.4	-70.6	0	0	0	112.6	K120 V122 W126 D139	K120-D133 PolarHBondContact NZ-O 3.46Å; V122-D133 HydrophobicContact CG1-CB 4.04Å; W126-D133 HydrophobicContact CB-CB 4.45Å; W126-D133 HydrophobicContact CD2-CB 4.39Å; W126-D133 HydrophobicContact CE3-CB 3.68Å; W126-D133 VanDerWaalsContact CE3-CG 3.47Å; W126-D133 HydrophobicContact CZ3-CB 4.25Å; D133-D139 PolarHBondContact N-OD2 3.08Å
134	C	69.8	Low	64.3	Low	1 Å²	1	78.1 Å²	78.1	1%	0.007	42%	0.421	C	S	.	.	S	Bend	trans	-76.3	127.6	164.3	-69.1	0	0	0	0	110.2	C114 N136 G137 D139	C114-C134 WeakPolarHBondContact CA-SG 3.38Å; C114-C134 HydrophobicContact CB-CB 3.67Å; C114-C134 WeakPolarHBondContact CB-SG 3.44Å; C114-C134 WeakPolarHBondContact SG-CA 3.45Å; C114-C134 WeakPolarHBondContact SG-CB 3.36Å; C114-C134 CovalentContact SG-SG 2.04Å; C114-C134 PolarHBondContact SG-SG 2.78Å; C134-N136 WeakPolarHBondContact CB-OD1 3.05Å; C134-N136 PolarHBondContact O-N 3.06Å; C134-N136 VanDerWaalsContact O-N 3.09Å; C134-G137 PolarHBondContact O-N 3.23Å; C134-D139 HydrophobicContact CB-CB 4.17Å; C134-D139 PolarHBondContact N-OD2 3.41Å
135	E	64.5	Low	63.5	Low	170 Å²	170	78.1 Å²	78.1	79%	0.794	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19	-174.2	-165.4	174	-153.8	0	0	113.6
136	N	64.7	Low	62.8	Low	83 Å²	83	79.8 Å²	79.8	44%	0.444	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-10	171.7	59.9	-3.3	0	0	0	113.9	C114 G115 C134 A138	C114-N136 PolarHBondContact O-ND2 3.15Å; C114-N136 PolarHBondContact O-OD1 3.31Å; G115-N136 PolarHBondContact O-ND2 2.76Å; C134-N136 WeakPolarHBondContact CB-OD1 3.05Å; C134-N136 PolarHBondContact O-N 3.06Å; C134-N136 VanDerWaalsContact O-N 3.09Å; N136-A138 WeakPolarHBondContact OD1-CB 3.4Å; N136-A138 PolarHBondContact OD1-N 3.49Å; N136-A138 VanDerWaalsContact OD1-N 3.17Å
137	G	66.6	Low	61.7	Low	1 Å²	1	78.4 Å²	78.4	1%	0.01	44%	0.444	C	S	.	.			trans	75.1	21.8	-175.1	0	0	0	0	0	115.5	C134 D139 E140 E141	C134-G137 PolarHBondContact O-N 3.23Å; G137-D139 VanDerWaalsContact C-N 3.25Å; G137-D139 WeakPolarHBondContact CA-OD1 3.44Å; G137-D139 PolarHBondContact O-N 3.38Å; G137-E140 PolarHBondContact O-N 3.1Å; G137-E141 PolarHBondContact O-N 3.48Å
138	A	71.4	Confident	60.7	Low	32 Å²	32	81.5 Å²	81.5	26%	0.264	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.4	-178.5	0	0	0	0	0	114.7	C114 N136	C114-A138 WeakPolarHBondContact O-CB 3.32Å; N136-A138 WeakPolarHBondContact OD1-CB 3.4Å; N136-A138 PolarHBondContact OD1-N 3.49Å; N136-A138 VanDerWaalsContact OD1-N 3.17Å
139	D	68.3	Low	59.8	Low	1 Å²	1	83.1 Å²	83.1	1%	0.005	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.7	164.8	43.9	0	0	0	0	113	F112 W126 C128 D133 C134 G137	F112-D139 HydrophobicContact CE1-CB 4.37Å; W126-D139 WeakPolarHBondContact O-CB 3.05Å; C128-D139 PolarHBondContact N-O 3.2Å; D133-D139 PolarHBondContact N-OD2 3.08Å; C134-D139 HydrophobicContact CB-CB 4.17Å; C134-D139 PolarHBondContact N-OD2 3.41Å; G137-D139 VanDerWaalsContact C-N 3.25Å; G137-D139 WeakPolarHBondContact CA-OD1 3.44Å; G137-D139 PolarHBondContact O-N 3.38Å
140	E	72.9	Confident	59.7	Low	53 Å²	53	80.2 Å²	80.2	25%	0.248	46%	0.464	C	S	.	.	S	Bend	trans	-104.4	-4.4	-175.1	-73.9	-65.4	118.9	0	0	114.5	C128 D129 G130 E131 K132 G137	C128-E140 VanDerWaalsContact C-OE1 3.27Å; C128-E140 WeakPolarHBondContact CA-OE1 3.04Å; C128-E140 PolarHBondContact N-OE1 3.06Å; D129-E140 PolarHBondContact N-OE1 3.05Å; D129-E140 VanDerWaalsContact N-OE1 3.08Å; G130-E140 PolarHBondContact N-OE1 3.39Å; E131-E140 WeakPolarHBondContact O-CG 3.43Å; K132-E140 HydrophobicContact CG-CG 4.34Å; G137-E140 PolarHBondContact O-N 3.1Å
141	E	61.5	Low	59.6	Low	147 Å²	147	81.2 Å²	81.2	69%	0.687	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	135.6	175.8	-70.9	-163.1	167.1	0	0	112.5	G137	G137-E141 PolarHBondContact O-N 3.48Å
142	D	58.6	Low	59.4	Low	124 Å²	124	80.9 Å²	80.9	66%	0.663	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	30.9	-177.9	-146.4	14.2	0	0	0	117.5	A144	D142-A144 PolarHBondContact O-N 3.46Å
143	C	60	Low	58.8	Low	51 Å²	51	78.7 Å²	78.7	35%	0.345	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	21.9	166.3	-59.1	0	0	0	0	115	C128	C128-C143 VanDerWaalsContact CA-SG 3.52Å; C128-C143 HydrophobicContact CB-CB 3.81Å; C128-C143 WeakPolarHBondContact CB-SG 3.48Å; C128-C143 VanDerWaalsContact SG-CA 3.58Å; C128-C143 WeakPolarHBondContact SG-CB 3.04Å; C128-C143 CovalentContact SG-SG 2.03Å; C128-C143 PolarHBondContact SG-SG 3.22Å
144	A	52.7	Low	58.6	Low	84 Å²	84	80.4 Å²	80.4	69%	0.694	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-15.7	-167.6	0	0	0	0	0	114.9	D142	D142-A144 PolarHBondContact O-N 3.46Å
145	S	48	Very low	58.7	Low	94 Å²	94	83.7 Å²	83.7	66%	0.657	49%	0.493	S	S	*	.	S	Bend	trans	-123.8	-24	-175.5	57.6	0	0	0	0	116.5	A147	S145-A147 PolarHBondContact O-N 3.22Å
146	D	47.3	Very low	59.1	Low	110 Å²	110	78.4 Å²	78.4	59%	0.588	47%	0.469	S	S	*	.			trans	-79.3	31.2	176.7	-73.6	-19	0	0	0	112.8	R127 K148	R127-D146 IonicContact CZ-OD2 3.3Å; R127-D146 VanDerWaalsContact CZ-OD2 3.3Å; R127-D146 IonicContact NH1-OD2 2.87Å; R127-D146 PolarHBondContact NH1-OD2 3.41Å; R127-D146 IonicContact NH2-OD2 2.78Å; R127-D146 PolarHBondContact NH2-OD2 3.42Å; D146-K148 PolarHBondContact O-N 3.28Å; D146-K148 VanDerWaalsContact O-N 3.13Å
147	A	41.2	Very low	59.5	Low	83 Å²	83	74.6 Å²	74.6	69%	0.686	45%	0.449	S	S	*	.			trans	-74.2	109.4	-174.6	0	0	0	0	0	112.1	S145	S145-A147 PolarHBondContact O-N 3.22Å
148	K	43.5	Very low	59.6	Low	160 Å²	160	78.2 Å²	78.2	70%	0.696	48%	0.479	S	S	*	.			trans	96.5	99.8	148.6	-165.5	-179	-175.7	171.2	0	118.6	D146 M156	D146-K148 PolarHBondContact O-N 3.28Å; D146-K148 VanDerWaalsContact O-N 3.13Å; K148-M156 HydrophobicContact CD-SD 3.98Å; K148-M156 VanDerWaalsContact CE-SD 3.53Å; K148-M156 HydrophobicContact CG-SD 3.94Å
149	A	44.9	Very low	59.3	Low	90 Å²	90	80.3 Å²	80.3	74%	0.744	49%	0.485	S	S	*	.				-150.5	146.8	103.1	0	0	0	0	0	110
150	C	56.1	Low	59.2	Low	18 Å²	18	89.9 Å²	89.9	12%	0.122	52%	0.521	C	S	.	.			trans	-65	160.4	154.6	-50.8	0	0	0	0	107.9	E154 M156 C162	C150-E154 HydrophobicContact CB-CB 3.7Å; C150-M156 VanDerWaalsContact SG-CB 3.59Å; C150-C162 HydrophobicContact CB-CB 3.93Å; C150-C162 WeakPolarHBondContact CB-SG 3.25Å; C150-C162 WeakPolarHBondContact SG-CB 3.25Å; C150-C162 CovalentContact SG-SG 2.05Å; C150-C162 PolarHBondContact SG-SG 3.35Å
151	P	57.8	Low	58.8	Low	75 Å²	75	92 Å²	92	49%	0.487	53%	0.53	S	S	.	.			trans	-47.6	152.9	168.9	-28.1	35.9	0	0	0	112.3	T153 E154	P151-T153 PolarHBondContact O-N 3.48Å; P151-E154 WeakPolarHBondContact CD-OE2 3.38Å; P151-E154 PolarHBondContact O-N 3.26Å
152	S	55.8	Low	59.2	Low	136 Å²	136	87.7 Å²	87.7	95%	0.951	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	2.6	-173.3	56.8	0	0	0	0	115.5
153	T	57.6	Low	59.7	Low	96 Å²	96	82.6 Å²	82.6	59%	0.589	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-0.7	176.4	45.1	0	0	0	0	113.3	P151 A165	P151-T153 PolarHBondContact O-N 3.48Å; T153-A165 WeakPolarHBondContact O-CB 3.45Å; T153-A165 PolarHBondContact O-N 2.82Å
154	E	68	Low	59.9	Low	80 Å²	80	82.2 Å²	82.2	37%	0.374	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144	-170.3	-73.7	166.5	-136.8	0	0	112.8	C150 P151 C162 L163	C150-E154 HydrophobicContact CB-CB 3.7Å; P151-E154 WeakPolarHBondContact CD-OE2 3.38Å; P151-E154 PolarHBondContact O-N 3.26Å; E154-C162 WeakPolarHBondContact OE2-CB 3.49Å; E154-L163 CarbonylContact C-O 3.59Å; E154-L163 VanDerWaalsContact CA-O 3.29Å; E154-L163 WeakPolarHBondContact CA-O 3.38Å; E154-L163 WeakPolarHBondContact CB-O 3.16Å
155	F	71.6	Confident	60.4	Low	70 Å²	70	81.4 Å²	81.4	31%	0.307	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	147.8	176.2	177.4	-98	0	0	0	110.7	C162 L163 V168	F155-C162 CarbonylContact O-C 3.5Å; F155-C162 WeakPolarHBondContact O-CA 3.46Å; F155-L163 PolarHBondContact N-O 2.8Å; F155-L163 PolarHBondContact O-N 2.8Å; F155-V168 HydrophobicContact CB-CG1 4.48Å; F155-V168 HydrophobicContact CB-CG2 3.47Å; F155-V168 VanDerWaalsContact CB-CG2 3.47Å; F155-V168 HydrophobicContact CD1-CG1 4.25Å; F155-V168 HydrophobicContact CD1-CG2 4.03Å; F155-V168 HydrophobicContact CD2-CG1 4.06Å; F155-V168 HydrophobicContact CE1-CG1 4.48Å; F155-V168 HydrophobicContact CE2-CG1 4.29Å; F155-V168 HydrophobicContact CG-CG1 4.03Å; F155-V168 HydrophobicContact CG-CG2 3.79Å; F155-V168 HydrophobicContact CZ-CG1 4.5Å
156	M	71.8	Confident	61.1	Low	59 Å²	59	82.1 Å²	82.1	29%	0.291	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.2	-177	-164.5	-151.6	84.2	0	0	111	K148 C150	K148-M156 HydrophobicContact CD-SD 3.98Å; K148-M156 VanDerWaalsContact CE-SD 3.53Å; K148-M156 HydrophobicContact CG-SD 3.94Å; C150-M156 VanDerWaalsContact SG-CB 3.59Å
157	C	73.1	Confident	62.1	Low	2 Å²	2	82.1 Å²	82.1	1%	0.014	48%	0.475	C	S	.	.			trans	-59.1	165.7	175.8	-81.5	0	0	0	0	114.8	N159 R160 K161 C175	C157-N159 WeakPolarHBondContact CB-OD1 3.34Å; C157-R160 WeakPolarHBondContact O-CA 3.21Å; C157-R160 PolarHBondContact O-N 3.45Å; C157-K161 HydrophobicContact CB-CB 4.14Å; C157-K161 WeakPolarHBondContact CB-O 3.21Å; C157-K161 PolarHBondContact N-O 2.99Å; C157-C175 HydrophobicContact CB-CB 4.44Å; C157-C175 WeakPolarHBondContact CB-SG 3.42Å; C157-C175 WeakPolarHBondContact SG-CB 3.3Å; C157-C175 CovalentContact SG-SG 2.02Å; C157-C175 PolarHBondContact SG-SG 3.1Å
158	A	70.1	Confident	63.5	Low	78 Å²	78	79.8 Å²	79.8	65%	0.645	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-37.7	169.4	0	0	0	0	0	112.3	R160 S179	A158-R160 PolarHBondContact O-N 2.91Å; A158-S179 WeakPolarHBondContact CB-OG 3.33Å; A158-S179 PolarHBondContact N-OG 3.04Å
159	N	63.9	Low	64.6	Low	75 Å²	75	73.2 Å²	73.2	40%	0.401	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-3.4	167.6	68.3	24.9	0	0	0	114.7	C157 K161 C175 D177	C157-N159 WeakPolarHBondContact CB-OD1 3.34Å; N159-K161 WeakPolarHBondContact OD1-CB 3.39Å; N159-K161 PolarHBondContact OD1-N 2.87Å; N159-C175 PolarHBondContact ND2-O 3.09Å; N159-D177 WeakPolarHBondContact CB-OD2 3.22Å; N159-D177 PolarHBondContact N-OD2 3.46Å; N159-D177 PolarHBondContact ND2-OD2 3Å
160	R	65.9	Low	65.3	Low	202 Å²	202	72 Å²	72	76%	0.762	41%	0.407	S	S	*	.			trans	74.9	6.2	-179.7	-47.2	178.2	-175.9	179.9	0.8	117.2	C157 A158 C162	C157-R160 WeakPolarHBondContact O-CA 3.21Å; C157-R160 PolarHBondContact O-N 3.45Å; A158-R160 PolarHBondContact O-N 2.91Å; R160-C162 PolarHBondContact O-N 2.04Å
161	K	64.6	Low	65.4	Low	97 Å²	97	73.7 Å²	73.7	42%	0.422	42%	0.419	S	S	.	.			trans	-57	134.4	165.5	-167.6	-178.7	-179.7	-173	0	109.7	C157 N159 L163 D174	C157-K161 HydrophobicContact CB-CB 4.14Å; C157-K161 WeakPolarHBondContact CB-O 3.21Å; C157-K161 PolarHBondContact N-O 2.99Å; N159-K161 WeakPolarHBondContact OD1-CB 3.39Å; N159-K161 PolarHBondContact OD1-N 2.87Å; K161-L163 HydrophobicContact CD-CD1 4.38Å; K161-D174 PolarHBondContact NZ-O 2.96Å
162	C	69.8	Low	65.7	Low	58 Å²	58	75 Å²	75	39%	0.392	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.7	166.7	-65	0	0	0	0	108.8	C150 E154 F155 R160	C150-C162 HydrophobicContact CB-CB 3.93Å; C150-C162 WeakPolarHBondContact CB-SG 3.25Å; C150-C162 WeakPolarHBondContact SG-CB 3.25Å; C150-C162 CovalentContact SG-SG 2.05Å; C150-C162 PolarHBondContact SG-SG 3.35Å; E154-C162 WeakPolarHBondContact OE2-CB 3.49Å; F155-C162 CarbonylContact O-C 3.5Å; F155-C162 WeakPolarHBondContact O-CA 3.46Å; R160-C162 PolarHBondContact O-N 2.04Å
163	L	69.7	Low	66.3	Low	16 Å²	16	72.8 Å²	72.8	8%	0.084	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.8	178.1	-87.8	155	0	0	0	109.1	E154 F155 K161 Y167 D174 C175	E154-L163 CarbonylContact C-O 3.59Å; E154-L163 VanDerWaalsContact CA-O 3.29Å; E154-L163 WeakPolarHBondContact CA-O 3.38Å; E154-L163 WeakPolarHBondContact CB-O 3.16Å; F155-L163 PolarHBondContact N-O 2.8Å; F155-L163 PolarHBondContact O-N 2.8Å; K161-L163 HydrophobicContact CD-CD1 4.38Å; L163-Y167 HydrophobicContact CD2-CD2 4.25Å; L163-Y167 HydrophobicContact CD2-CG 4.26Å; L163-D174 HydrophobicContact CD1-CB 4.28Å; L163-D174 HydrophobicContact CD2-CB 4.06Å; L163-C175 HydrophobicContact CD1-CB 4.09Å
164	A	65.2	Low	67.2	Low	43 Å²	43	71.1 Å²	71.1	36%	0.355	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	143.8	174.6	0	0	0	0	0	110.1	V166 Y167	A164-V166 PolarHBondContact O-N 3.19Å; A164-Y167 HydrophobicContact CB-CD2 4.11Å; A164-Y167 HydrophobicContact CB-CE2 4.46Å; A164-Y167 PolarHBondContact O-N 3.17Å
165	A	62.6	Low	67.4	Low	68 Å²	68	67.6 Å²	67.6	56%	0.562	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	8.4	-175.2	0	0	0	0	0	116.4	T153	T153-A165 WeakPolarHBondContact O-CB 3.45Å; T153-A165 PolarHBondContact O-N 2.82Å
166	V	63.6	Low	67.1	Low	108 Å²	108	67.1 Å²	67.1	66%	0.655	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-41.1	166.7	-179.2	0	0	0	0	110.6	A164 V168	A164-V166 PolarHBondContact O-N 3.19Å; V166-V168 PolarHBondContact O-N 2.04Å; V166-V168 VanDerWaalsContact O-N 3.07Å
167	Y	67.1	Low	67.2	Low	111 Å²	111	67.2 Å²	67.2	44%	0.435	39%	0.388	S	S	.	.	S	Bend	trans	-85.8	52.6	-179.5	-54.5	-69.2	0	0	0	111.4	L163 A164 D170 D174	L163-Y167 HydrophobicContact CD2-CD2 4.25Å; L163-Y167 HydrophobicContact CD2-CG 4.26Å; A164-Y167 HydrophobicContact CB-CD2 4.11Å; A164-Y167 HydrophobicContact CB-CE2 4.46Å; A164-Y167 PolarHBondContact O-N 3.17Å; Y167-D170 WeakPolarHBondContact CA-OD1 3.32Å; Y167-D174 WeakPolarHBondContact CD1-OD2 3.41Å
168	V	70.6	Confident	66.9	Low	34 Å²	34	67.9 Å²	67.9	21%	0.206	40%	0.395	C	S	.	.	S	Bend	trans	-150	111.9	-176.2	-171.2	0	0	0	0	108.7	F155 V166 D170	F155-V168 HydrophobicContact CB-CG1 4.48Å; F155-V168 HydrophobicContact CB-CG2 3.47Å; F155-V168 VanDerWaalsContact CB-CG2 3.47Å; F155-V168 HydrophobicContact CD1-CG1 4.25Å; F155-V168 HydrophobicContact CD1-CG2 4.03Å; F155-V168 HydrophobicContact CD2-CG1 4.06Å; F155-V168 HydrophobicContact CE1-CG1 4.48Å; F155-V168 HydrophobicContact CE2-CG1 4.29Å; F155-V168 HydrophobicContact CG-CG1 4.03Å; F155-V168 HydrophobicContact CG-CG2 3.79Å; F155-V168 HydrophobicContact CZ-CG1 4.5Å; V166-V168 PolarHBondContact O-N 2.04Å; V166-V168 VanDerWaalsContact O-N 3.07Å; V168-D170 VanDerWaalsContact C-N 3.3Å; V168-D170 PolarHBondContact N-OD1 2.78Å; V168-D170 VanDerWaalsContact N-OD1 3.08Å
169	C	66.1	Low	67.2	Low	22 Å²	22	65 Å²	65	15%	0.149	37%	0.37	C	S	.	.	S	Bend	trans	67.6	24.2	-172.8	-56	0	0	0	0	114.4	E181 C184 Q188	C169-E181 VanDerWaalsContact C-OE1 3.23Å; C169-E181 WeakPolarHBondContact CA-OE1 3.27Å; C169-E181 PolarHBondContact N-OE1 3.12Å; C169-C184 WeakPolarHBondContact CA-SG 3.01Å; C169-C184 HydrophobicContact CB-CB 3.9Å; C169-C184 WeakPolarHBondContact CB-SG 3.35Å; C169-C184 VanDerWaalsContact SG-CA 3.5Å; C169-C184 WeakPolarHBondContact SG-CB 3.41Å; C169-C184 CovalentContact SG-SG 2.03Å; C169-C184 PolarHBondContact SG-SG 3.44Å; C169-Q188 HydrophobicContact CB-CG 3.59Å; C169-Q188 WeakPolarHBondContact O-CB 3.49Å; C169-Q188 VanDerWaalsContact O-CG 3.32Å; C169-Q188 WeakPolarHBondContact O-CG 3.21Å
170	D	60.1	Low	67.7	Low	64 Å²	64	61.6 Å²	61.6	34%	0.342	35%	0.351	S	S	.	.	S	Bend	trans	-92.9	3.9	173.8	56.9	-31.6	0	0	0	114.1	Y167 V168 E181	Y167-D170 WeakPolarHBondContact CA-OD1 3.32Å; V168-D170 VanDerWaalsContact C-N 3.3Å; V168-D170 PolarHBondContact N-OD1 2.78Å; V168-D170 VanDerWaalsContact N-OD1 3.08Å; D170-E181 PolarHBondContact N-OE1 3.17Å
171	S	59.6	Low	68.2	Low	54 Å²	54	55 Å²	55	38%	0.378	33%	0.329	S	S	.	.	S	Bend	trans	82.8	7.1	169.3	-171.4	0	0	0	0	116.9	E181 R196	S171-E181 WeakPolarHBondContact CA-OE1 3.42Å; S171-E181 PolarHBondContact N-OE1 2.97Å; S171-R196 PolarHBondContact OG-NH2 3.33Å
172	D	63.8	Low	68.2	Low	102 Å²	102	56.8 Å²	56.8	55%	0.545	34%	0.343	S	S	.	.	S	Bend	trans	-110.4	152.4	169.2	-81.6	-45.4	0	0	0	111	D174	D172-D174 VanDerWaalsContact C-N 3.27Å; D172-D174 PolarHBondContact O-N 2.75Å; D172-D174 VanDerWaalsContact O-N 3.14Å
173	D	68.2	Low	67.7	Low	89 Å²	89	63.2 Å²	63.2	48%	0.476	36%	0.364	S	S	.	.			trans	-88.5	62.2	179.2	-175.9	12.5	0	0	0	110.6	C175 G176 D177 G178	D173-C175 PolarHBondContact O-N 2.7Å; D173-G176 PolarHBondContact O-N 3.01Å; D173-G176 VanDerWaalsContact O-N 3.07Å; D173-G176 VanDerWaalsContact OD1-CA 3.24Å; D173-G176 WeakPolarHBondContact OD1-CA 3.06Å; D173-G176 PolarHBondContact OD1-N 3.09Å; D173-D177 PolarHBondContact OD1-N 2.9Å; D173-G178 PolarHBondContact OD1-N 2.98Å
174	D	75.6	Confident	67.2	Low	62 Å²	62	64.1 Å²	64.1	33%	0.332	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.1	176.4	-99.3	-48	0	0	0	111.8	K161 L163 Y167 D172 D180	K161-D174 PolarHBondContact NZ-O 2.96Å; L163-D174 HydrophobicContact CD1-CB 4.28Å; L163-D174 HydrophobicContact CD2-CB 4.06Å; Y167-D174 WeakPolarHBondContact CD1-OD2 3.41Å; D172-D174 VanDerWaalsContact C-N 3.27Å; D172-D174 PolarHBondContact O-N 2.75Å; D172-D174 VanDerWaalsContact O-N 3.14Å; D174-D180 PolarHBondContact N-OD2 2.95Å
175	C	72.1	Confident	66.5	Low	6 Å²	6	67.1 Å²	67.1	4%	0.041	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.2	172	-168	0	0	0	0	113.3	C157 N159 L163 D173 D177 D180	C157-C175 HydrophobicContact CB-CB 4.44Å; C157-C175 WeakPolarHBondContact CB-SG 3.42Å; C157-C175 WeakPolarHBondContact SG-CB 3.3Å; C157-C175 CovalentContact SG-SG 2.02Å; C157-C175 PolarHBondContact SG-SG 3.1Å; N159-C175 PolarHBondContact ND2-O 3.09Å; L163-C175 HydrophobicContact CD1-CB 4.09Å; D173-C175 PolarHBondContact O-N 2.7Å; C175-D177 VanDerWaalsContact C-N 3.3Å; C175-D177 VanDerWaalsContact SG-CG 3.58Å; C175-D177 PolarHBondContact SG-OD1 3.13Å; C175-D180 HydrophobicContact CB-CB 4.5Å; C175-D180 WeakPolarHBondContact CB-OD2 3.4Å; C175-D180 PolarHBondContact N-OD2 2.84Å
176	G	66.3	Low	65.6	Low	60 Å²	60	67.5 Å²	67.5	62%	0.619	40%	0.399	S	S	*	.	S	Bend	trans	74.3	16.2	-169.5	0	0	0	0	0	114.2	D173	D173-G176 PolarHBondContact O-N 3.01Å; D173-G176 VanDerWaalsContact O-N 3.07Å; D173-G176 VanDerWaalsContact OD1-CA 3.24Å; D173-G176 WeakPolarHBondContact OD1-CA 3.06Å; D173-G176 PolarHBondContact OD1-N 3.09Å
177	D	72.8	Confident	64.7	Low	61 Å²	61	67.6 Å²	67.6	33%	0.326	40%	0.402	S	S	.	.	S	Bend	trans	-146	0.3	174.5	82.6	12.6	0	0	0	114.7	N159 D173 C175 S179	N159-D177 WeakPolarHBondContact CB-OD2 3.22Å; N159-D177 PolarHBondContact N-OD2 3.46Å; N159-D177 PolarHBondContact ND2-OD2 3Å; D173-D177 PolarHBondContact OD1-N 2.9Å; C175-D177 VanDerWaalsContact C-N 3.3Å; C175-D177 VanDerWaalsContact SG-CG 3.58Å; C175-D177 PolarHBondContact SG-OD1 3.13Å; D177-S179 WeakPolarHBondContact OD1-CB 3.02Å; D177-S179 PolarHBondContact OD1-N 3.09Å; D177-S179 PolarHBondContact OD1-OG 2.87Å; D177-S179 PolarHBondContact OD2-OG 2.93Å
178	G	67.3	Low	63.7	Low	16 Å²	16	68.7 Å²	68.7	17%	0.165	41%	0.411	C	S	.	.	S	Bend	trans	74.8	11.5	-179.4	0	0	0	0	0	116.3	D173 D180 E181 L182	D173-G178 PolarHBondContact OD1-N 2.98Å; G178-D180 VanDerWaalsContact C-N 3.34Å; G178-D180 VanDerWaalsContact CA-OD1 3.31Å; G178-D180 WeakPolarHBondContact CA-OD1 3.39Å; G178-E181 PolarHBondContact O-N 2.85Å; G178-L182 WeakPolarHBondContact O-CB 2.98Å; G178-L182 WeakPolarHBondContact O-CD1 3.01Å; G178-L182 WeakPolarHBondContact O-CG 3.5Å; G178-L182 PolarHBondContact O-N 2.93Å
179	S	77.3	Confident	62.5	Low	18 Å²	18	72.4 Å²	72.4	13%	0.126	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.8	-178	-69.8	0	0	0	0	115.4	A158 D177	A158-S179 WeakPolarHBondContact CB-OG 3.33Å; A158-S179 PolarHBondContact N-OG 3.04Å; D177-S179 WeakPolarHBondContact OD1-CB 3.02Å; D177-S179 PolarHBondContact OD1-N 3.09Å; D177-S179 PolarHBondContact OD1-OG 2.87Å; D177-S179 PolarHBondContact OD2-OG 2.93Å
180	D	73.4	Confident	62	Low	2 Å²	2	72.2 Å²	72.2	1%	0.011	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-55.2	166.9	34	24.3	0	0	0	110.7	D174 C175 G178	D174-D180 PolarHBondContact N-OD2 2.95Å; C175-D180 HydrophobicContact CB-CB 4.5Å; C175-D180 WeakPolarHBondContact CB-OD2 3.4Å; C175-D180 PolarHBondContact N-OD2 2.84Å; G178-D180 VanDerWaalsContact C-N 3.34Å; G178-D180 VanDerWaalsContact CA-OD1 3.31Å; G178-D180 WeakPolarHBondContact CA-OD1 3.39Å
181	E	75.8	Confident	61.6	Low	64 Å²	64	71 Å²	71	30%	0.299	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-79.2	-26	-175.8	-68.6	-58.6	126.7	0	0	114	C169 D170 S171 G178 K183 C184	C169-E181 VanDerWaalsContact C-OE1 3.23Å; C169-E181 WeakPolarHBondContact CA-OE1 3.27Å; C169-E181 PolarHBondContact N-OE1 3.12Å; D170-E181 PolarHBondContact N-OE1 3.17Å; S171-E181 WeakPolarHBondContact CA-OE1 3.42Å; S171-E181 PolarHBondContact N-OE1 2.97Å; G178-E181 PolarHBondContact O-N 2.85Å; E181-K183 PolarHBondContact O-N 2.91Å; E181-C184 PolarHBondContact O-N 2.76Å; E181-C184 PolarHBondContact O-SG 3.32Å; E181-C184 VanDerWaalsContact O-SG 3.33Å
182	L	65.6	Low	61.3	Low	134 Å²	134	74.5 Å²	74.5	70%	0.702	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-66.8	-6.8	-168.8	-95.6	167	0	0	0	116.4	G178	G178-L182 WeakPolarHBondContact O-CB 2.98Å; G178-L182 WeakPolarHBondContact O-CD1 3.01Å; G178-L182 WeakPolarHBondContact O-CG 3.5Å; G178-L182 PolarHBondContact O-N 2.93Å
183	K	59.2	Low	60.8	Low	194 Å²	194	74.1 Å²	74.1	84%	0.843	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-135.1	16.7	-178.4	-79.7	-173.3	178.9	170.2	0	115.9	E181 A185	E181-K183 PolarHBondContact O-N 2.91Å; K183-A185 PolarHBondContact O-N 3.44Å
184	C	59.8	Low	60.7	Low	35 Å²	35	74 Å²	74	24%	0.236	45%	0.451	C	S	.	.			trans	-62.5	127.2	174.8	-51.7	0	0	0	0	111.3	C169 E181 A186	C169-C184 WeakPolarHBondContact CA-SG 3.01Å; C169-C184 HydrophobicContact CB-CB 3.9Å; C169-C184 WeakPolarHBondContact CB-SG 3.35Å; C169-C184 VanDerWaalsContact SG-CA 3.5Å; C169-C184 WeakPolarHBondContact SG-CB 3.41Å; C169-C184 CovalentContact SG-SG 2.03Å; C169-C184 PolarHBondContact SG-SG 3.44Å; E181-C184 PolarHBondContact O-N 2.76Å; E181-C184 PolarHBondContact O-SG 3.32Å; E181-C184 VanDerWaalsContact O-SG 3.33Å; C184-A186 VanDerWaalsContact C-N 3.32Å; C184-A186 PolarHBondContact O-N 2.86Å
185	A	50.4	Low	60.5	Low	105 Å²	105	71.6 Å²	71.6	87%	0.868	44%	0.438	S	S	*	.	S	Bend	trans	-82.8	71.6	-169.7	0	0	0	0	0	112.3	K183	K183-A185 PolarHBondContact O-N 3.44Å
186	A	42.8	Very low	60.5	Low	76 Å²	76	76.1 Å²	76.1	63%	0.628	45%	0.454	S	S	*	.	S	Bend	trans	70.8	165.8	-162.3	0	0	0	0	0	111.6	C184 Q188	C184-A186 VanDerWaalsContact C-N 3.32Å; C184-A186 PolarHBondContact O-N 2.86Å; A186-Q188 PolarHBondContact O-N 2.71Å
187	P	46	Very low	60.9	Low	110 Å²	110	73.5 Å²	73.5	71%	0.714	43%	0.426	S	S	*	.			trans	-72.8	135.5	-159	28.7	-34.2	0	0	0	112.1	T189	P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 2.97Å
188	Q	44.2	Very low	60.9	Low	134 Å²	134	76.9 Å²	76.9	63%	0.626	44%	0.444	S	S	*	.			trans	-69	93.9	163.5	-63.5	-68.5	19.8	0	0	108.5	C169 A186	C169-Q188 HydrophobicContact CB-CG 3.59Å; C169-Q188 WeakPolarHBondContact O-CB 3.49Å; C169-Q188 VanDerWaalsContact O-CG 3.32Å; C169-Q188 WeakPolarHBondContact O-CG 3.21Å; A186-Q188 PolarHBondContact O-N 2.71Å
189	T	45.8	Very low	60.7	Low	112 Å²	112	79 Å²	79	69%	0.687	45%	0.454	S	S	*	.			trans	-63.3	142.2	157.1	53	0	0	0	0	108.3	P187 G191	P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 2.97Å; T189-G191 PolarHBondContact O-N 3.21Å
190	C	55.3	Low	60	Low	19 Å²	19	80.9 Å²	80.9	13%	0.128	47%	0.467	C	S	.	.			trans	-45.8	140.6	166.5	-53.8	0	0	0	0	109.3	H194 R196 C202	C190-H194 HydrophobicContact CB-CB 3.62Å; C190-R196 VanDerWaalsContact SG-CB 3.51Å; C190-C202 HydrophobicContact CB-CB 3.86Å; C190-C202 WeakPolarHBondContact CB-SG 3.32Å; C190-C202 WeakPolarHBondContact SG-CB 3.46Å; C190-C202 CovalentContact SG-SG 2.05Å; C190-C202 PolarHBondContact SG-SG 2.04Å
191	G	52.5	Low	59.7	Low	37 Å²	37	84.8 Å²	84.8	38%	0.381	49%	0.485	S	S	.	.			trans	-53.2	155.2	-173.4	0	0	0	0	0	112.3	T189 N193 H194	T189-G191 PolarHBondContact O-N 3.21Å; G191-N193 CarbonylContact O-C 3.59Å; G191-N193 PolarHBondContact O-N 3.22Å; G191-H194 WeakPolarHBondContact O-CB 3.04Å; G191-H194 PolarHBondContact O-N 2.85Å
192	P	53.9	Low	59.4	Low	128 Å²	128	85 Å²	85	83%	0.831	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-10.3	-155.4	17.8	-32.7	0	0	0	118.3
193	N	52.6	Low	59.6	Low	95 Å²	95	79.4 Å²	79.4	51%	0.508	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	31.4	173.1	-59.4	-8.3	0	0	0	112.9	G191 L205	G191-N193 CarbonylContact O-C 3.59Å; G191-N193 PolarHBondContact O-N 3.22Å; N193-L205 PolarHBondContact O-N 2.87Å
194	H	65.8	Low	60.1	Low	86 Å²	86	71.7 Å²	71.7	40%	0.398	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.4	177.3	-67.2	81.9	0	0	0	112.2	C190 G191 C202 V203	C190-H194 HydrophobicContact CB-CB 3.62Å; G191-H194 WeakPolarHBondContact O-CB 3.04Å; G191-H194 PolarHBondContact O-N 2.85Å; H194-C202 HydrophobicContact CB-CB 4.49Å; H194-V203 CarbonylContact C-O 3.49Å; H194-V203 WeakPolarHBondContact CA-O 3Å; H194-V203 VanDerWaalsContact CB-O 3.31Å; H194-V203 WeakPolarHBondContact CB-O 3.19Å
195	F	71.3	Confident	60.2	Low	12 Å²	12	72.5 Å²	72.5	5%	0.053	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	139.6	177	165	-120.2	0	0	0	110	C202 V203 L205 D220 R225	F195-C202 CarbonylContact O-C 3.56Å; F195-C202 VanDerWaalsContact O-CA 3.29Å; F195-C202 WeakPolarHBondContact O-CA 3.37Å; F195-V203 HydrophobicContact CB-CG2 4.08Å; F195-V203 HydrophobicContact CD1-CG2 3.64Å; F195-V203 HydrophobicContact CG-CG2 4.32Å; F195-V203 PolarHBondContact N-O 2.92Å; F195-V203 PolarHBondContact O-N 2.78Å; F195-L205 HydrophobicContact CB-CD2 3.91Å; F195-L205 HydrophobicContact CB-CG 3.86Å; F195-D220 HydrophobicContact CD1-CB 4.04Å; F195-D220 VanDerWaalsContact CE1-CA 3.42Å; F195-D220 HydrophobicContact CE1-CB 3.77Å; F195-R225 VanDerWaalsContact CE2-NH1 3.32Å; F195-R225 VanDerWaalsContact CE2-NH2 3.3Å
196	R	72.3	Confident	60.5	Low	101 Å²	101	73.8 Å²	73.8	38%	0.381	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112.3	176.3	-157	-179.1	-174.2	-172.8	-2.6	111.7	S171 C190 S200 E201	S171-R196 PolarHBondContact OG-NH2 3.33Å; C190-R196 VanDerWaalsContact SG-CB 3.51Å; R196-S200 VanDerWaalsContact CG-O 3.28Å; R196-S200 WeakPolarHBondContact CG-O 3Å; R196-S200 PolarHBondContact NE-O 2.94Å; R196-E201 CarbonylContact C-O 3.59Å; R196-E201 VanDerWaalsContact CA-O 3.31Å; R196-E201 WeakPolarHBondContact CA-O 3.48Å
197	C	74.1	Confident	61.6	Low	4 Å²	4	75.2 Å²	75.2	3%	0.027	42%	0.415	C	S	.	.			trans	-56.5	158.2	169.6	-50.5	0	0	0	0	110.9	T199 S200 E201 C215	C197-T199 WeakPolarHBondContact CB-OG1 3.01Å; C197-T199 PolarHBondContact O-N 3.11Å; C197-S200 PolarHBondContact O-N 2.82Å; C197-E201 HydrophobicContact CB-CB 4.19Å; C197-E201 PolarHBondContact N-O 2.03Å; C197-C215 HydrophobicContact CB-CB 3.8Å; C197-C215 WeakPolarHBondContact CB-SG 3.41Å; C197-C215 VanDerWaalsContact SG-CA 3.59Å; C197-C215 WeakPolarHBondContact SG-CB 3.39Å; C197-C215 CovalentContact SG-SG 2.04Å; C197-C215 PolarHBondContact SG-SG 3Å
198	N	73.4	Confident	62.8	Low	132 Å²	132	70.7 Å²	70.7	71%	0.706	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.4	174.8	-67.6	-56	0	0	0	111.6	S200 D217 S219	N198-S200 PolarHBondContact O-N 2.99Å; N198-D217 WeakPolarHBondContact CB-OD2 3.32Å; N198-D217 PolarHBondContact N-OD2 3.08Å; N198-S219 WeakPolarHBondContact CB-OG 3.37Å; N198-S219 PolarHBondContact N-OG 3.48Å; N198-S219 WeakPolarHBondContact ND2-CB 3.35Å; N198-S219 PolarHBondContact ND2-OG 3.01Å
199	T	63.4	Low	63.8	Low	62 Å²	62	65.5 Å²	65.5	38%	0.38	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	17.7	164.2	44.4	0	0	0	0	115.4	C197 E201 D217	C197-T199 WeakPolarHBondContact CB-OG1 3.01Å; C197-T199 PolarHBondContact O-N 3.11Å; T199-E201 PolarHBondContact O-N 2.8Å; T199-E201 PolarHBondContact OG1-OE2 3.42Å; T199-D217 HydrophobicContact CG2-CB 3.77Å; T199-D217 WeakPolarHBondContact CG2-OD2 3.26Å; T199-D217 PolarHBondContact N-OD2 3.2Å; T199-D217 PolarHBondContact OG1-OD2 3.41Å
200	S	62.6	Low	64.4	Low	57 Å²	57	63.9 Å²	63.9	40%	0.399	35%	0.351	S	S	.	.	S	Bend	trans	73.3	-23	178.8	-49.5	0	0	0	0	117	R196 C197 N198	R196-S200 VanDerWaalsContact CG-O 3.28Å; R196-S200 WeakPolarHBondContact CG-O 3Å; R196-S200 PolarHBondContact NE-O 2.94Å; C197-S200 PolarHBondContact O-N 2.82Å; N198-S200 PolarHBondContact O-N 2.99Å
201	E	66.1	Low	64.7	Low	83 Å²	83	65.4 Å²	65.4	39%	0.388	37%	0.37	S	S	.	.			trans	-57.6	143.7	-177.7	-63.7	163	128.8	0	0	112.8	R196 C197 T199 S216	R196-E201 CarbonylContact C-O 3.59Å; R196-E201 VanDerWaalsContact CA-O 3.31Å; R196-E201 WeakPolarHBondContact CA-O 3.48Å; C197-E201 HydrophobicContact CB-CB 4.19Å; C197-E201 PolarHBondContact N-O 2.03Å; T199-E201 PolarHBondContact O-N 2.8Å; T199-E201 PolarHBondContact OG1-OE2 3.42Å; E201-S216 PolarHBondContact OE1-OG 3.02Å; E201-S216 WeakPolarHBondContact OE2-CB 3.48Å; E201-S216 PolarHBondContact OE2-OG 2.72Å
202	C	70.5	Confident	65.3	Low	70 Å²	70	69.2 Å²	69.2	47%	0.473	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	95.6	176.3	-68.5	0	0	0	0	111.5	C190 H194 F195	C190-C202 HydrophobicContact CB-CB 3.86Å; C190-C202 WeakPolarHBondContact CB-SG 3.32Å; C190-C202 WeakPolarHBondContact SG-CB 3.46Å; C190-C202 CovalentContact SG-SG 2.05Å; C190-C202 PolarHBondContact SG-SG 2.04Å; H194-C202 HydrophobicContact CB-CB 4.49Å; F195-C202 CarbonylContact O-C 3.56Å; F195-C202 VanDerWaalsContact O-CA 3.29Å; F195-C202 WeakPolarHBondContact O-CA 3.37Å
203	V	70.8	Confident	66.1	Low	16 Å²	16	67.4 Å²	67.4	10%	0.097	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	158.6	168.7	-63.2	0	0	0	0	110.7	H194 F195 D214	H194-V203 CarbonylContact C-O 3.49Å; H194-V203 WeakPolarHBondContact CA-O 3Å; H194-V203 VanDerWaalsContact CB-O 3.31Å; H194-V203 WeakPolarHBondContact CB-O 3.19Å; F195-V203 HydrophobicContact CB-CG2 4.08Å; F195-V203 HydrophobicContact CD1-CG2 3.64Å; F195-V203 HydrophobicContact CG-CG2 4.32Å; F195-V203 PolarHBondContact N-O 2.92Å; F195-V203 PolarHBondContact O-N 2.78Å; V203-D214 HydrophobicContact CG1-CB 4.48Å
204	P	69.6	Low	67.3	Low	31 Å²	31	66.5 Å²	66.5	20%	0.201	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	139.3	167	-25.5	36	0	0	0	111.6	M206 W207	P204-M206 HydrophobicContact CB-CG 3.67Å; P204-M206 HydrophobicContact CB-SD 4.44Å; P204-M206 PolarHBondContact O-N 2.81Å; P204-W207 HydrophobicContact CB-CD2 4.24Å; P204-W207 HydrophobicContact CB-CG 4.3Å; P204-W207 HydrophobicContact CG-CD2 3.88Å; P204-W207 HydrophobicContact CG-CE3 3.86Å; P204-W207 HydrophobicContact CG-CG 4.45Å; P204-W207 HydrophobicContact CG-CH2 4.32Å; P204-W207 HydrophobicContact CG-CZ2 4.38Å; P204-W207 HydrophobicContact CG-CZ3 4.08Å; P204-W207 PolarHBondContact O-N 3.25Å
205	L	62	Low	67.7	Low	53 Å²	53	62.7 Å²	62.7	28%	0.277	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.8	-178.8	-117.7	166.6	0	0	0	112.8	N193 F195 W207 P234	N193-L205 PolarHBondContact O-N 2.87Å; F195-L205 HydrophobicContact CB-CD2 3.91Å; F195-L205 HydrophobicContact CB-CG 3.86Å; L205-W207 VanDerWaalsContact C-N 3.33Å; L205-P234 HydrophobicContact CB-CG 3.69Å; L205-P234 HydrophobicContact CD1-CG 4.37Å; L205-P234 HydrophobicContact CD2-CG 3.96Å; L205-P234 HydrophobicContact CG-CG 4.18Å; L205-P234 WeakPolarHBondContact O-CD 3.39Å
206	M	56.6	Low	67.8	Low	132 Å²	132	66.5 Å²	66.5	65%	0.65	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.7	171	58.9	-172.5	-73.4	0	0	113.6	P204	P204-M206 HydrophobicContact CB-CG 3.67Å; P204-M206 HydrophobicContact CB-SD 4.44Å; P204-M206 PolarHBondContact O-N 2.81Å
207	W	65.8	Low	67.8	Low	106 Å²	106	64.9 Å²	64.9	40%	0.402	38%	0.375	S	S	.	.	S	Bend	trans	-100.6	65.4	170.4	-56.9	-17.1	0	0	0	108	P204 L205 D214	P204-W207 HydrophobicContact CB-CD2 4.24Å; P204-W207 HydrophobicContact CB-CG 4.3Å; P204-W207 HydrophobicContact CG-CD2 3.88Å; P204-W207 HydrophobicContact CG-CE3 3.86Å; P204-W207 HydrophobicContact CG-CG 4.45Å; P204-W207 HydrophobicContact CG-CH2 4.32Å; P204-W207 HydrophobicContact CG-CZ2 4.38Å; P204-W207 HydrophobicContact CG-CZ3 4.08Å; P204-W207 PolarHBondContact O-N 3.25Å; L205-W207 VanDerWaalsContact C-N 3.33Å; W207-D214 HydrophobicContact CB-CB 4.22Å; W207-D214 WeakPolarHBondContact CB-OD2 3.49Å; W207-D214 VanDerWaalsContact CD2-OD2 3.27Å; W207-D214 HydrophobicContact CE3-CB 4.11Å
208	S	70.3	Confident	67.6	Low	15 Å²	15	65.8 Å²	65.8	11%	0.105	39%	0.385	C	S	.	.	S	Bend	trans	-161.6	122.5	172.5	-178.7	0	0	0	0	109.6	D210 D220	S208-D210 VanDerWaalsContact C-N 3.28Å; S208-D220 PolarHBondContact OG-O 2.89Å; S208-D220 VanDerWaalsContact OG-O 3.08Å
209	C	65.1	Low	67.7	Low	24 Å²	24	59.8 Å²	59.8	16%	0.162	35%	0.353	C	S	.	.	S	Bend	trans	59.1	37.7	-169.5	-46.1	0	0	0	0	112.5	D220 E221 C226 P231	C209-D220 PolarHBondContact N-O 2.03Å; C209-E221 WeakPolarHBondContact CA-OE1 3.34Å; C209-E221 PolarHBondContact N-OE1 3.13Å; C209-C226 VanDerWaalsContact CA-SG 3.56Å; C209-C226 HydrophobicContact CB-CB 3.84Å; C209-C226 WeakPolarHBondContact CB-SG 3.49Å; C209-C226 WeakPolarHBondContact SG-CA 3.03Å; C209-C226 WeakPolarHBondContact SG-CB 3.28Å; C209-C226 CovalentContact SG-SG 2.04Å; C209-C226 PolarHBondContact SG-SG 2.88Å; C209-P231 WeakPolarHBondContact O-CA 3.03Å
210	D	57.9	Low	68.2	Low	78 Å²	78	56.8 Å²	56.8	42%	0.417	34%	0.335	S	S	.	.	S	Bend	trans	-103.7	-17.2	172.1	79.7	-0.2	0	0	0	113.4	S208 D212 E221	S208-D210 VanDerWaalsContact C-N 3.28Å; D210-D212 PolarHBondContact OD1-N 3.49Å; D210-E221 PolarHBondContact N-OE1 2.76Å
211	G	62.5	Low	68.9	Low	52 Å²	52	56.6 Å²	56.6	54%	0.536	33%	0.328	S	S	.	.	S	Bend	trans	114.1	-9.6	169.4	0	0	0	0	0	115.6	E221	G211-E221 WeakPolarHBondContact CA-OE2 3.26Å; G211-E221 VanDerWaalsContact N-CD 3.31Å; G211-E221 PolarHBondContact N-OE1 2.81Å; G211-E221 VanDerWaalsContact N-OE1 3.16Å; G211-E221 PolarHBondContact N-OE2 2.03Å
212	D	63.8	Low	69.2	Low	116 Å²	116	53.9 Å²	53.9	62%	0.62	32%	0.318	S	S	*	.	S	Bend	trans	-108	132.1	173.5	-80.8	-47	0	0	0	110	D210 D214	D210-D212 PolarHBondContact OD1-N 3.49Å; D212-D214 PolarHBondContact O-N 3.05Å
213	P	72.6	Confident	69	Low	91 Å²	91	55.5 Å²	55.5	59%	0.591	33%	0.328	S	S	*	.			trans	-82.3	95.2	-179.4	31.6	-33.5	0	0	0	111.3
214	D	76.3	Confident	68.5	Low	76 Å²	76	64.3 Å²	64.3	41%	0.406	37%	0.368	S	S	.	.			trans	-87.9	-23	177.1	-87.6	-38.4	0	0	0	113.2	V203 W207 D212 D220	V203-D214 HydrophobicContact CG1-CB 4.48Å; W207-D214 HydrophobicContact CB-CB 4.22Å; W207-D214 WeakPolarHBondContact CB-OD2 3.49Å; W207-D214 VanDerWaalsContact CD2-OD2 3.27Å; W207-D214 HydrophobicContact CE3-CB 4.11Å; D212-D214 PolarHBondContact O-N 3.05Å; D214-D220 WeakPolarHBondContact CA-OD2 3.34Å; D214-D220 PolarHBondContact N-OD2 3.45Å
215	C	74.3	Confident	68.1	Low	5 Å²	5	69 Å²	69	3%	0.034	38%	0.382	C	S	.	.	S	Bend	trans	-72.7	137.5	167	-77.1	0	0	0	0	111.1	C197 D217 G218 D220	C197-C215 HydrophobicContact CB-CB 3.8Å; C197-C215 WeakPolarHBondContact CB-SG 3.41Å; C197-C215 VanDerWaalsContact SG-CA 3.59Å; C197-C215 WeakPolarHBondContact SG-CB 3.39Å; C197-C215 CovalentContact SG-SG 2.04Å; C197-C215 PolarHBondContact SG-SG 3Å; C215-D217 PolarHBondContact O-N 2.9Å; C215-G218 PolarHBondContact O-N 3.49Å; C215-D220 HydrophobicContact CB-CB 4.24Å; C215-D220 PolarHBondContact N-OD2 3.45Å
216	S	72.8	Confident	68.2	Low	93 Å²	93	68.3 Å²	68.3	65%	0.65	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.8	177.3	-63.9	0	0	0	0	114.9	E201	E201-S216 PolarHBondContact OE1-OG 3.02Å; E201-S216 WeakPolarHBondContact OE2-CB 3.48Å; E201-S216 PolarHBondContact OE2-OG 2.72Å
217	D	72.8	Confident	68.1	Low	67 Å²	67	64 Å²	64	36%	0.358	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-0.7	179.1	64.9	8.9	0	0	0	114.9	N198 T199 C215 S219	N198-D217 WeakPolarHBondContact CB-OD2 3.32Å; N198-D217 PolarHBondContact N-OD2 3.08Å; T199-D217 HydrophobicContact CG2-CB 3.77Å; T199-D217 WeakPolarHBondContact CG2-OD2 3.26Å; T199-D217 PolarHBondContact N-OD2 3.2Å; T199-D217 PolarHBondContact OG1-OD2 3.41Å; C215-D217 PolarHBondContact O-N 2.9Å; D217-S219 VanDerWaalsContact C-N 3.34Å; D217-S219 WeakPolarHBondContact OD1-CB 3.48Å; D217-S219 PolarHBondContact OD1-N 3.16Å; D217-S219 PolarHBondContact OD1-OG 3.46Å; D217-S219 PolarHBondContact OD2-OG 2.95Å
218	G	70	Confident	67.2	Low	23 Å²	23	67.5 Å²	67.5	24%	0.237	40%	0.397	C	S	.	.	S	Bend	trans	69.2	22.5	-175.7	0	0	0	0	0	115.2	C215 D220 E221 S222	C215-G218 PolarHBondContact O-N 3.49Å; G218-D220 VanDerWaalsContact C-N 3.3Å; G218-D220 VanDerWaalsContact CA-OD1 3.24Å; G218-D220 WeakPolarHBondContact CA-OD1 3.4Å; G218-D220 PolarHBondContact O-N 3.44Å; G218-E221 PolarHBondContact O-N 3.12Å; G218-S222 PolarHBondContact O-N 3.28Å
219	S	75.2	Confident	66.4	Low	5 Å²	5	70.2 Å²	70.2	4%	0.035	43%	0.427	C	S	.	.			trans	-66.8	-28.6	179.4	-69.3	0	0	0	0	114.8	N198 D217 S222 R225	N198-S219 WeakPolarHBondContact CB-OG 3.37Å; N198-S219 PolarHBondContact N-OG 3.48Å; N198-S219 WeakPolarHBondContact ND2-CB 3.35Å; N198-S219 PolarHBondContact ND2-OG 3.01Å; D217-S219 VanDerWaalsContact C-N 3.34Å; D217-S219 WeakPolarHBondContact OD1-CB 3.48Å; D217-S219 PolarHBondContact OD1-N 3.16Å; D217-S219 PolarHBondContact OD1-OG 3.46Å; D217-S219 PolarHBondContact OD2-OG 2.95Å; S219-S222 WeakPolarHBondContact O-CB 3.42Å; S219-S222 PolarHBondContact O-N 2.85Å; S219-S222 PolarHBondContact O-OG 2.92Å; S219-R225 WeakPolarHBondContact O-CD 3.42Å
220	D	74.1	Confident	65	Low	0 Å²	0	72.6 Å²	72.6	0%	0	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-44.7	173.7	48.3	-9.4	0	0	0	112.7	F195 S208 C209 D214 C215 G218 C226	F195-D220 HydrophobicContact CD1-CB 4.04Å; F195-D220 VanDerWaalsContact CE1-CA 3.42Å; F195-D220 HydrophobicContact CE1-CB 3.77Å; S208-D220 PolarHBondContact OG-O 2.89Å; S208-D220 VanDerWaalsContact OG-O 3.08Å; C209-D220 PolarHBondContact N-O 2.03Å; D214-D220 WeakPolarHBondContact CA-OD2 3.34Å; D214-D220 PolarHBondContact N-OD2 3.45Å; C215-D220 HydrophobicContact CB-CB 4.24Å; C215-D220 PolarHBondContact N-OD2 3.45Å; G218-D220 VanDerWaalsContact C-N 3.3Å; G218-D220 VanDerWaalsContact CA-OD1 3.24Å; G218-D220 WeakPolarHBondContact CA-OD1 3.4Å; G218-D220 PolarHBondContact O-N 3.44Å; D220-C226 PolarHBondContact O-SG 3.21Å; D220-C226 VanDerWaalsContact O-SG 3.36Å
221	E	77.4	Confident	64.4	Low	52 Å²	52	73.2 Å²	73.2	24%	0.243	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	12	178.9	-67.6	-55.6	124	0	0	113.2	C209 D210 G211 G218	C209-E221 WeakPolarHBondContact CA-OE1 3.34Å; C209-E221 PolarHBondContact N-OE1 3.13Å; D210-E221 PolarHBondContact N-OE1 2.76Å; G211-E221 WeakPolarHBondContact CA-OE2 3.26Å; G211-E221 VanDerWaalsContact N-CD 3.31Å; G211-E221 PolarHBondContact N-OE1 2.81Å; G211-E221 VanDerWaalsContact N-OE1 3.16Å; G211-E221 PolarHBondContact N-OE2 2.03Å; G218-E221 PolarHBondContact O-N 3.12Å
222	S	73.3	Confident	63.1	Low	27 Å²	27	78.6 Å²	78.6	19%	0.189	46%	0.462	C	S	.	.			trans	-67.9	131.8	-174.3	63.4	0	0	0	0	112.5	G218 S219 E224 R225 C226	G218-S222 PolarHBondContact O-N 3.28Å; S219-S222 WeakPolarHBondContact O-CB 3.42Å; S219-S222 PolarHBondContact O-N 2.85Å; S219-S222 PolarHBondContact O-OG 2.92Å; S222-E224 PolarHBondContact O-N 2.99Å; S222-E224 VanDerWaalsContact O-N 3.13Å; S222-R225 WeakPolarHBondContact O-CA 3.38Å; S222-R225 WeakPolarHBondContact O-CB 3.5Å; S222-R225 PolarHBondContact O-N 3.4Å; S222-R225 WeakPolarHBondContact OG-CB 3.27Å; S222-C226 PolarHBondContact O-N 2.77Å
223	P	65.4	Low	61.9	Low	104 Å²	104	77.3 Å²	77.3	68%	0.675	46%	0.455	S	S	*	.	H	α-helix	trans	-60.3	-26.4	-179.7	-28	35.8	0	0	0	114.6	R225 G227	P223-R225 PolarHBondContact O-N 3.44Å; P223-G227 WeakPolarHBondContact O-CA 3.44Å; P223-G227 PolarHBondContact O-N 2.89Å
224	E	60.8	Low	60.7	Low	201 Å²	201	75.3 Å²	75.3	94%	0.939	44%	0.442	S	S	*	.	H	α-helix	trans	-69.8	-17.6	174.6	-59.2	-169.6	164	0	0	113	S222	S222-E224 PolarHBondContact O-N 2.99Å; S222-E224 VanDerWaalsContact O-N 3.13Å
225	R	62.3	Low	58.7	Low	129 Å²	129	77 Å²	77	49%	0.487	45%	0.451	S	S	.	.	H	α-helix	trans	-99.9	-53.2	175.9	168.4	172.1	-68.7	-83.4	-12.3	112.3	F195 S219 S222 P223	F195-R225 VanDerWaalsContact CE2-NH1 3.32Å; F195-R225 VanDerWaalsContact CE2-NH2 3.3Å; S219-R225 WeakPolarHBondContact O-CD 3.42Å; S222-R225 WeakPolarHBondContact O-CA 3.38Å; S222-R225 WeakPolarHBondContact O-CB 3.5Å; S222-R225 PolarHBondContact O-N 3.4Å; S222-R225 WeakPolarHBondContact OG-CB 3.27Å; P223-R225 PolarHBondContact O-N 3.44Å
226	C	62.8	Low	57	Low	38 Å²	38	87.9 Å²	87.9	26%	0.257	49%	0.491	S	S	.	.	H	α-helix	trans	-77.5	-25.6	-174.2	-55.5	0	0	0	0	113	C209 D220 S222	C209-C226 VanDerWaalsContact CA-SG 3.56Å; C209-C226 HydrophobicContact CB-CB 3.84Å; C209-C226 WeakPolarHBondContact CB-SG 3.49Å; C209-C226 WeakPolarHBondContact SG-CA 3.03Å; C209-C226 WeakPolarHBondContact SG-CB 3.28Å; C209-C226 CovalentContact SG-SG 2.04Å; C209-C226 PolarHBondContact SG-SG 2.88Å; D220-C226 PolarHBondContact O-SG 3.21Å; D220-C226 VanDerWaalsContact O-SG 3.36Å; S222-C226 PolarHBondContact O-N 2.77Å
227	G	54.7	Low	55.5	Low	41 Å²	41	89.6 Å²	89.6	42%	0.423	48%	0.484	S	S	.	.			trans	71.3	175	-175.6	0	0	0	0	0	113.5	P223 G229	P223-G227 WeakPolarHBondContact O-CA 3.44Å; P223-G227 PolarHBondContact O-N 2.89Å; G227-G229 VanDerWaalsContact C-N 3.27Å; G227-G229 PolarHBondContact O-N 3.09Å
228	D	46	Very low	54.4	Low	180 Å²	180	89.9 Å²	89.9	96%	0.963	50%	0.495	S	S	*	.	S	Bend	trans	-73.8	75.9	-179.8	-76.4	-47.2	0	0	0	112.3
229	G	55.3	Low	53.7	Low	73 Å²	73	95.5 Å²	95.5	75%	0.753	52%	0.519	S	S	*	.	S	Bend	trans	98.9	71.3	153	0	0	0	0	0	118.1	G227	G227-G229 VanDerWaalsContact C-N 3.27Å; G227-G229 PolarHBondContact O-N 3.09Å
230	A	35.3	Very low	53.3	Low	74 Å²	74	96.3 Å²	96.3	61%	0.612	53%	0.525	S	S	*	.			trans	-159.3	124.9	149.3	0	0	0	0	0	111.5
231	P	44.7	Very low	53	Low	90 Å²	90	99.6 Å²	99.6	58%	0.584	55%	0.545	S	S	*	.			trans	-80.7	136.1	162	33	-31	0	0	0	109.8	C209	C209-P231 WeakPolarHBondContact O-CA 3.03Å
232	Y	35.3	Very low	52.3	Low	166 Å²	166	101.4 Å²	101.4	65%	0.651	57%	0.569	S	S	*	*			trans	163.5	143.6	143.6	-102	-63.5	0	0	0	114.5
233	L	37.8	Very low	51.9	Low	89 Å²	89	105.3 Å²	105.3	47%	0.466	59%	0.588	S	S	.	*			trans	73.7	139.1	152.9	-70	169.9	0	0	0	118
234	P	47.8	Very low	52.4	Low	49 Å²	49	102.7 Å²	102.7	32%	0.318	57%	0.566	S	S	.	*				-136.9	132.2	95.4	37.9	-28.6	0	0	0	115.1	L205	L205-P234 HydrophobicContact CB-CG 3.69Å; L205-P234 HydrophobicContact CD1-CG 4.37Å; L205-P234 HydrophobicContact CD2-CG 3.96Å; L205-P234 HydrophobicContact CG-CG 4.18Å; L205-P234 WeakPolarHBondContact O-CD 3.39Å
235	N	34.8	Very low	53.2	Low	112 Å²	112	95.3 Å²	95.3	60%	0.599	53%	0.531	S	S	*	.				-136.6	88.8	118.6	-157.6	-27.2	0	0	0	109.3	R237	N235-R237 PolarHBondContact O-N 3.42Å
236	R	38.7	Very low	53.9	Low	232 Å²	232	95.3 Å²	95.3	88%	0.875	53%	0.531	S	S	*	.			trans	-77.5	69.1	-170.6	-167.2	-171.9	-80.6	-141	-1.8	111.8	A238	R236-A238 VanDerWaalsContact C-N 3.34Å; R236-A238 PolarHBondContact O-N 3.22Å
237	R	41.6	Very low	54.8	Low	130 Å²	130	93.6 Å²	93.6	49%	0.491	52%	0.52	S	S	.	.			trans	-61.9	96.7	155.7	-91	-167.4	179.9	176.1	5.5	108.2	N235 N239 E244	N235-R237 PolarHBondContact O-N 3.42Å; R237-N239 WeakPolarHBondContact CB-O 3.45Å; R237-N239 PolarHBondContact O-N 2.92Å; R237-E244 IonicContact NH1-OE1 3.15Å; R237-E244 PolarHBondContact NH1-OE1 2.86Å; R237-E244 IonicContact NH1-OE2 2.79Å; R237-E244 PolarHBondContact NH1-OE2 2.9Å
238	A	49.7	Very low	55.9	Low	72 Å²	72	97.6 Å²	97.6	60%	0.595	53%	0.532	S	S	*	.	S	Bend	trans	-60.5	-28.5	-177.5	0	0	0	0	0	112.9	R236	R236-A238 VanDerWaalsContact C-N 3.34Å; R236-A238 PolarHBondContact O-N 3.22Å
239	N	55.5	Low	56.9	Low	141 Å²	141	91.4 Å²	91.4	75%	0.754	50%	0.498	S	S	*	.	S	Bend	trans	-120.9	138.6	159.4	-73.3	-17.1	0	0	0	108.4	R237	R237-N239 WeakPolarHBondContact CB-O 3.45Å; R237-N239 PolarHBondContact O-N 2.92Å
240	C	65.3	Low	57.5	Low	23 Å²	23	89 Å²	89	16%	0.155	47%	0.474	C	S	.	.			trans	-67.5	165.9	156.8	-47.7	0	0	0	0	109.6	E244 C252	C240-E244 HydrophobicContact CB-CB 3.55Å; C240-C252 HydrophobicContact CB-CB 3.84Å; C240-C252 WeakPolarHBondContact CB-SG 3.47Å; C240-C252 WeakPolarHBondContact SG-CB 3.37Å; C240-C252 CovalentContact SG-SG 2.04Å; C240-C252 PolarHBondContact SG-SG 3Å
241	T	68.1	Low	59.2	Low	68 Å²	68	88.1 Å²	88.1	42%	0.417	46%	0.457	S	S	.	.			trans	-73.2	171.7	175.4	65	0	0	0	0	111.5	D243 E244	T241-D243 PolarHBondContact O-N 3.41Å; T241-D243 VanDerWaalsContact O-N 3.09Å; T241-E244 PolarHBondContact N-OE2 3.01Å; T241-E244 PolarHBondContact O-N 2.86Å; T241-E244 VanDerWaalsContact O-N 3.11Å; T241-E244 WeakPolarHBondContact OG1-CG 3.25Å; T241-E244 PolarHBondContact OG1-OE1 2.88Å; T241-E244 PolarHBondContact OG1-OE2 3.34Å
242	A	62.5	Low	60.7	Low	90 Å²	90	86 Å²	86	74%	0.744	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.2	-174.6	0	0	0	0	0	114.3
243	D	65.3	Low	62.6	Low	110 Å²	110	79 Å²	79	59%	0.588	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	16.7	-179	-51.4	-54.2	0	0	0	112.5	T241 L255	T241-D243 PolarHBondContact O-N 3.41Å; T241-D243 VanDerWaalsContact O-N 3.09Å; D243-L255 PolarHBondContact O-N 2.95Å
244	E	75.6	Confident	64.2	Low	48 Å²	48	81.6 Å²	81.6	22%	0.224	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.6	-178	-71.1	166.3	175.3	0	0	111.6	R237 C240 T241 C252 I253	R237-E244 IonicContact NH1-OE1 3.15Å; R237-E244 PolarHBondContact NH1-OE1 2.86Å; R237-E244 IonicContact NH1-OE2 2.79Å; R237-E244 PolarHBondContact NH1-OE2 2.9Å; C240-E244 HydrophobicContact CB-CB 3.55Å; T241-E244 PolarHBondContact N-OE2 3.01Å; T241-E244 PolarHBondContact O-N 2.86Å; T241-E244 VanDerWaalsContact O-N 3.11Å; T241-E244 WeakPolarHBondContact OG1-CG 3.25Å; T241-E244 PolarHBondContact OG1-OE1 2.88Å; T241-E244 PolarHBondContact OG1-OE2 3.34Å; E244-C252 HydrophobicContact CB-CB 4.44Å; E244-I253 CarbonylContact C-O 3.54Å; E244-I253 WeakPolarHBondContact CA-O 3.41Å; E244-I253 VanDerWaalsContact CB-O 3.32Å; E244-I253 WeakPolarHBondContact CB-O 3.37Å
245	F	77.8	Confident	65.2	Low	46 Å²	46	84 Å²	84	20%	0.202	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	158.5	170.5	173.6	-102.7	0	0	0	110.8	C252 I253 L255 K258 D270	F245-C252 CarbonylContact O-C 3.58Å; F245-C252 VanDerWaalsContact O-CA 3.24Å; F245-C252 WeakPolarHBondContact O-CA 3.28Å; F245-I253 HydrophobicContact CB-CG1 4.13Å; F245-I253 HydrophobicContact CD1-CD1 4.02Å; F245-I253 HydrophobicContact CD1-CG1 3.94Å; F245-I253 PolarHBondContact N-O 3.04Å; F245-I253 PolarHBondContact O-N 3.34Å; F245-L255 HydrophobicContact CB-CD1 4.13Å; F245-K258 HydrophobicContact CB-CB 4.04Å; F245-K258 HydrophobicContact CD1-CB 3.9Å; F245-K258 HydrophobicContact CD1-CD 4.23Å; F245-K258 HydrophobicContact CD1-CG 3.61Å; F245-K258 HydrophobicContact CD2-CB 4.29Å; F245-K258 HydrophobicContact CD2-CD 3.72Å; F245-K258 HydrophobicContact CD2-CG 3.97Å; F245-K258 HydrophobicContact CE1-CD 4.11Å; F245-K258 HydrophobicContact CE1-CG 3.73Å; F245-K258 HydrophobicContact CE2-CD 3.59Å; F245-K258 HydrophobicContact CE2-CG 4.08Å; F245-K258 HydrophobicContact CG-CB 3.78Å; F245-K258 HydrophobicContact CG-CD 4.05Å; F245-K258 HydrophobicContact CG-CG 3.74Å; F245-K258 HydrophobicContact CZ-CD 3.79Å; F245-K258 HydrophobicContact CZ-CG 3.96Å; F245-D270 HydrophobicContact CE1-CB 4.36Å
246	R	78.3	Confident	66.9	Low	130 Å²	130	83.5 Å²	83.5	49%	0.491	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	116.4	-176.9	-174	176.1	159.6	-179.2	-6	112.1	E251	R246-E251 WeakPolarHBondContact CA-O 3.12Å
247	C	80.8	Confident	68.5	Low	1 Å²	1	77.3 Å²	77.3	1%	0.007	41%	0.409	C	S	.	.			trans	-62.7	159.5	169.8	-45	0	0	0	0	111.4	N249 G250 E251 C265	C247-N249 VanDerWaalsContact C-N 3.33Å; C247-N249 VanDerWaalsContact CB-OD1 3.24Å; C247-N249 WeakPolarHBondContact CB-OD1 3.27Å; C247-N249 PolarHBondContact O-N 3.09Å; C247-G250 WeakPolarHBondContact O-CA 3.46Å; C247-G250 PolarHBondContact O-N 3.36Å; C247-E251 PolarHBondContact N-O 3.13Å; C247-E251 PolarHBondContact SG-O 2.91Å; C247-C265 HydrophobicContact CB-CB 3.8Å; C247-C265 WeakPolarHBondContact CB-SG 3.16Å; C247-C265 WeakPolarHBondContact SG-CB 3.47Å; C247-C265 CovalentContact SG-SG 2.03Å; C247-C265 PolarHBondContact SG-SG 3.2Å
248	D	77.2	Confident	70.1	Confident	126 Å²	126	73.9 Å²	73.9	67%	0.674	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-33.6	179	-69	-51.3	0	0	0	112.1	G250 D267 S269	D248-G250 PolarHBondContact O-N 3.49Å; D248-G250 VanDerWaalsContact O-N 3.13Å; D248-D267 PolarHBondContact N-OD2 2.99Å; D248-S269 WeakPolarHBondContact CB-OG 3.23Å; D248-S269 VanDerWaalsContact CG-OG 3.32Å; D248-S269 WeakPolarHBondContact OD2-CB 3.48Å; D248-S269 PolarHBondContact OD2-OG 3.3Å
249	N	67.8	Low	71.2	Confident	49 Å²	49	73 Å²	73	26%	0.262	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.7	168.7	67.9	31.5	0	0	0	113.7	C247 E251 D267	C247-N249 VanDerWaalsContact C-N 3.33Å; C247-N249 VanDerWaalsContact CB-OD1 3.24Å; C247-N249 WeakPolarHBondContact CB-OD1 3.27Å; C247-N249 PolarHBondContact O-N 3.09Å; N249-E251 WeakPolarHBondContact OD1-CB 3.21Å; N249-E251 WeakPolarHBondContact OD1-CG 3.16Å; N249-E251 PolarHBondContact OD1-N 2.82Å; N249-D267 HydrophobicContact CB-CB 4.47Å; N249-D267 WeakPolarHBondContact CB-OD2 3.34Å; N249-D267 PolarHBondContact N-OD2 3.29Å; N249-D267 PolarHBondContact ND2-OD1 2.9Å; N249-D267 PolarHBondContact ND2-OD2 2.62Å; N249-D267 VanDerWaalsContact ND2-OD2 3.12Å
250	G	68.3	Low	71.6	Confident	24 Å²	24	69.8 Å²	69.8	25%	0.247	37%	0.369	C	S	.	.	S	Bend	trans	95.3	1.8	176.2	0	0	0	0	0	116.3	C247 D248	C247-G250 WeakPolarHBondContact O-CA 3.46Å; C247-G250 PolarHBondContact O-N 3.36Å; D248-G250 PolarHBondContact O-N 3.49Å; D248-G250 VanDerWaalsContact O-N 3.13Å
251	E	71.1	Confident	71.5	Confident	55 Å²	55	71.1 Å²	71.1	26%	0.257	39%	0.387	S	S	.	.			trans	-69.2	147.4	170.4	-62.9	-163.9	126.8	0	0	111.3	R246 C247 N249 K266	R246-E251 WeakPolarHBondContact CA-O 3.12Å; C247-E251 PolarHBondContact N-O 3.13Å; C247-E251 PolarHBondContact SG-O 2.91Å; N249-E251 WeakPolarHBondContact OD1-CB 3.21Å; N249-E251 WeakPolarHBondContact OD1-CG 3.16Å; N249-E251 PolarHBondContact OD1-N 2.82Å; E251-K266 IonicContact OE1-NZ 2.71Å; E251-K266 PolarHBondContact OE1-NZ 3.21Å; E251-K266 VanDerWaalsContact OE2-CD 3.29Å; E251-K266 WeakPolarHBondContact OE2-CD 3.49Å; E251-K266 VanDerWaalsContact OE2-CE 3.27Å; E251-K266 WeakPolarHBondContact OE2-CE 3.29Å; E251-K266 IonicContact OE2-NZ 2.88Å; E251-K266 PolarHBondContact OE2-NZ 3.17Å
252	C	76.5	Confident	71.3	Confident	46 Å²	46	70.2 Å²	70.2	31%	0.311	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.8	175.9	-65.2	0	0	0	0	109.5	C240 E244 F245	C240-C252 HydrophobicContact CB-CB 3.84Å; C240-C252 WeakPolarHBondContact CB-SG 3.47Å; C240-C252 WeakPolarHBondContact SG-CB 3.37Å; C240-C252 CovalentContact SG-SG 2.04Å; C240-C252 PolarHBondContact SG-SG 3Å; E244-C252 HydrophobicContact CB-CB 4.44Å; F245-C252 CarbonylContact O-C 3.58Å; F245-C252 VanDerWaalsContact O-CA 3.24Å; F245-C252 WeakPolarHBondContact O-CA 3.28Å
253	I	75.3	Confident	71.8	Confident	18 Å²	18	69 Å²	69	9%	0.092	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	177.2	170.4	62.4	168.9	0	0	0	110.1	E244 F245 W257 D264 D270	E244-I253 CarbonylContact C-O 3.54Å; E244-I253 WeakPolarHBondContact CA-O 3.41Å; E244-I253 VanDerWaalsContact CB-O 3.32Å; E244-I253 WeakPolarHBondContact CB-O 3.37Å; F245-I253 HydrophobicContact CB-CG1 4.13Å; F245-I253 HydrophobicContact CD1-CD1 4.02Å; F245-I253 HydrophobicContact CD1-CG1 3.94Å; F245-I253 PolarHBondContact N-O 3.04Å; F245-I253 PolarHBondContact O-N 3.34Å; I253-W257 HydrophobicContact CB-CE3 4.09Å; I253-W257 HydrophobicContact CD1-CB 3.94Å; I253-W257 WeakPolarHBondContact CD1-O 3.46Å; I253-D264 HydrophobicContact CD1-CB 4.41Å; I253-D264 HydrophobicContact CG2-CB 4.45Å; I253-D270 HydrophobicContact CD1-CB 3.71Å
254	R	71	Confident	72.4	Confident	143 Å²	143	66.3 Å²	66.3	54%	0.54	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	148.1	172.8	-76.4	-79.4	-173.6	140.9	3	111	T256 W257	R254-T256 WeakPolarHBondContact CB-OG1 3.08Å; R254-T256 PolarHBondContact O-N 3.26Å; R254-T256 VanDerWaalsContact O-N 3.16Å; R254-W257 HydrophobicContact CB-CB 4.35Å; R254-W257 HydrophobicContact CB-CD2 3.71Å; R254-W257 HydrophobicContact CB-CE3 4.17Å; R254-W257 HydrophobicContact CB-CG 3.8Å; R254-W257 HydrophobicContact CG-CD2 4.08Å; R254-W257 HydrophobicContact CG-CE3 4.36Å; R254-W257 HydrophobicContact CG-CH2 4.39Å; R254-W257 HydrophobicContact CG-CZ2 4.14Å; R254-W257 PolarHBondContact O-N 3.21Å
255	L	68.7	Low	72.5	Confident	101 Å²	101	64.1 Å²	64.1	53%	0.529	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-64	-18.3	173.3	-151.5	87.9	0	0	0	112.7	D243 F245	D243-L255 PolarHBondContact O-N 2.95Å; F245-L255 HydrophobicContact CB-CD1 4.13Å
256	T	69.6	Low	72	Confident	100 Å²	100	68.3 Å²	68.3	61%	0.613	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-80.9	-15.5	172.9	51.6	0	0	0	0	113.9	R254	R254-T256 WeakPolarHBondContact CB-OG1 3.08Å; R254-T256 PolarHBondContact O-N 3.26Å; R254-T256 VanDerWaalsContact O-N 3.16Å
257	W	72.3	Confident	71.9	Confident	102 Å²	102	65 Å²	65	39%	0.386	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-99.8	20.1	179.3	-56.9	-19.4	0	0	0	111.6	I253 R254 D260 D264	I253-W257 HydrophobicContact CB-CE3 4.09Å; I253-W257 HydrophobicContact CD1-CB 3.94Å; I253-W257 WeakPolarHBondContact CD1-O 3.46Å; R254-W257 HydrophobicContact CB-CB 4.35Å; R254-W257 HydrophobicContact CB-CD2 3.71Å; R254-W257 HydrophobicContact CB-CE3 4.17Å; R254-W257 HydrophobicContact CB-CG 3.8Å; R254-W257 HydrophobicContact CG-CD2 4.08Å; R254-W257 HydrophobicContact CG-CE3 4.36Å; R254-W257 HydrophobicContact CG-CH2 4.39Å; R254-W257 HydrophobicContact CG-CZ2 4.14Å; R254-W257 PolarHBondContact O-N 3.21Å; W257-D260 WeakPolarHBondContact CA-OD2 3.31Å; W257-D264 WeakPolarHBondContact CB-OD2 3.41Å; W257-D264 HydrophobicContact CE3-CB 4.42Å
258	K	76.3	Confident	71.4	Confident	59 Å²	59	71 Å²	71	26%	0.257	38%	0.375	S	S	.	.	S	Bend	trans	-107.3	122.4	170.5	-161.6	-140.4	176	-169	0	109.3	F245 D260 D270	F245-K258 HydrophobicContact CB-CB 4.04Å; F245-K258 HydrophobicContact CD1-CB 3.9Å; F245-K258 HydrophobicContact CD1-CD 4.23Å; F245-K258 HydrophobicContact CD1-CG 3.61Å; F245-K258 HydrophobicContact CD2-CB 4.29Å; F245-K258 HydrophobicContact CD2-CD 3.72Å; F245-K258 HydrophobicContact CD2-CG 3.97Å; F245-K258 HydrophobicContact CE1-CD 4.11Å; F245-K258 HydrophobicContact CE1-CG 3.73Å; F245-K258 HydrophobicContact CE2-CD 3.59Å; F245-K258 HydrophobicContact CE2-CG 4.08Å; F245-K258 HydrophobicContact CG-CB 3.78Å; F245-K258 HydrophobicContact CG-CD 4.05Å; F245-K258 HydrophobicContact CG-CG 3.74Å; F245-K258 HydrophobicContact CZ-CD 3.79Å; F245-K258 HydrophobicContact CZ-CG 3.96Å; K258-D260 VanDerWaalsContact C-N 3.32Å; K258-D270 WeakPolarHBondContact CE-O 3.18Å; K258-D270 HydrophobicContact CG-CB 4.35Å; K258-D270 WeakPolarHBondContact CG-O 3.46Å
259	C	71.4	Confident	71.6	Confident	52 Å²	52	65.6 Å²	65.6	35%	0.351	35%	0.347	S	S	.	.	S	Bend	trans	64.1	37.2	-177	-45.1	0	0	0	0	112.1	E271 C274	C259-E271 WeakPolarHBondContact CA-OE1 3.45Å; C259-E271 PolarHBondContact N-OE1 3.45Å; C259-C274 WeakPolarHBondContact CA-SG 3.29Å; C259-C274 HydrophobicContact CB-CB 3.89Å; C259-C274 WeakPolarHBondContact CB-SG 3.34Å; C259-C274 VanDerWaalsContact SG-CA 3.5Å; C259-C274 WeakPolarHBondContact SG-CB 3.28Å; C259-C274 CovalentContact SG-SG 2.03Å; C259-C274 PolarHBondContact SG-SG 2.87Å
260	D	64.9	Low	72.1	Confident	75 Å²	75	63.2 Å²	63.2	40%	0.401	34%	0.335	S	S	.	.	S	Bend	trans	-97.6	-13.1	171.5	79.4	-0.2	0	0	0	112.9	W257 K258 D262 E271	W257-D260 WeakPolarHBondContact CA-OD2 3.31Å; K258-D260 VanDerWaalsContact C-N 3.32Å; D260-D262 PolarHBondContact OD1-N 2.86Å; D260-D262 VanDerWaalsContact OD1-N 3.09Å; D260-E271 PolarHBondContact N-OE1 3.12Å
261	G	63.8	Low	72.7	Confident	51 Å²	51	65.1 Å²	65.1	53%	0.526	34%	0.337	S	S	.	.	S	Bend	trans	106.5	-12.7	174.9	0	0	0	0	0	114.4	E271	G261-E271 PolarHBondContact N-OE1 2.82Å; G261-E271 VanDerWaalsContact N-OE1 3.11Å; G261-E271 PolarHBondContact N-OE2 2.81Å
262	D	62.7	Low	72.7	Confident	49 Å²	49	65 Å²	65	26%	0.262	34%	0.343	S	S	.	.	S	Bend	trans	-93.2	140.4	174.4	-74.9	-24.9	0	0	0	111.1	D260 D264 K624	D260-D262 PolarHBondContact OD1-N 2.86Å; D260-D262 VanDerWaalsContact OD1-N 3.09Å; D262-D264 VanDerWaalsContact C-N 3.33Å; D262-D264 PolarHBondContact O-N 2.88Å; D262-K624 IonicContact OD2-NZ 2.84Å; D262-K624 PolarHBondContact OD2-NZ 2.84Å
263	P	73.6	Confident	72.1	Confident	65 Å²	65	70.2 Å²	70.2	42%	0.422	37%	0.367	S	S	.	.			trans	-82.1	74.4	171.8	34.2	-34.4	0	0	0	111.1	C265 K268	P263-C265 VanDerWaalsContact C-N 3.35Å; P263-K268 HydrophobicContact CB-CB 4.4Å; P263-K268 HydrophobicContact CB-CD 3.77Å; P263-K268 HydrophobicContact CB-CG 3.76Å
264	D	76.6	Confident	71.5	Confident	52 Å²	52	70.8 Å²	70.8	28%	0.278	37%	0.373	S	S	.	.			trans	-73.2	-26.1	176	-80.6	-22.2	0	0	0	112.1	I253 W257 D262 D270 K624	I253-D264 HydrophobicContact CD1-CB 4.41Å; I253-D264 HydrophobicContact CG2-CB 4.45Å; W257-D264 WeakPolarHBondContact CB-OD2 3.41Å; W257-D264 HydrophobicContact CE3-CB 4.42Å; D262-D264 VanDerWaalsContact C-N 3.33Å; D262-D264 PolarHBondContact O-N 2.88Å; D264-D270 WeakPolarHBondContact CA-OD2 3.04Å; D264-D270 PolarHBondContact N-OD2 3.48Å; D264-K624 IonicContact OD1-NZ 2.63Å; D264-K624 PolarHBondContact OD1-NZ 2.73Å; D264-K624 WeakPolarHBondContact OD2-CE 3.37Å; D264-K624 IonicContact OD2-NZ 3.78Å; D264-K624 PolarHBondContact OD2-NZ 2.8Å
265	C	78.5	Confident	70.9	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.014	38%	0.376	C	S	.	.	S	Bend	trans	-79.5	131	166.5	-68.2	0	0	0	0	111	C247 P263 D267 K268 D270	C247-C265 HydrophobicContact CB-CB 3.8Å; C247-C265 WeakPolarHBondContact CB-SG 3.16Å; C247-C265 WeakPolarHBondContact SG-CB 3.47Å; C247-C265 CovalentContact SG-SG 2.03Å; C247-C265 PolarHBondContact SG-SG 3.2Å; P263-C265 VanDerWaalsContact C-N 3.35Å; C265-D267 VanDerWaalsContact CB-OD1 3.25Å; C265-D267 WeakPolarHBondContact CB-OD1 3.48Å; C265-D267 PolarHBondContact O-N 2.99Å; C265-D267 VanDerWaalsContact O-N 3.08Å; C265-K268 PolarHBondContact O-N 2.9Å; C265-D270 HydrophobicContact CB-CB 4.22Å; C265-D270 WeakPolarHBondContact CB-OD2 3.5Å; C265-D270 PolarHBondContact N-OD2 2.87Å; C265-D270 VanDerWaalsContact SG-CB 3.57Å; C265-D270 VanDerWaalsContact SG-CG 3.57Å
266	K	68.1	Low	69.8	Low	135 Å²	135	71.2 Å²	71.2	59%	0.587	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.4	179.1	-64.6	171.9	-172.5	140.3	0	115.4	E251	E251-K266 IonicContact OE1-NZ 2.71Å; E251-K266 PolarHBondContact OE1-NZ 3.21Å; E251-K266 VanDerWaalsContact OE2-CD 3.29Å; E251-K266 WeakPolarHBondContact OE2-CD 3.49Å; E251-K266 VanDerWaalsContact OE2-CE 3.27Å; E251-K266 WeakPolarHBondContact OE2-CE 3.29Å; E251-K266 IonicContact OE2-NZ 2.88Å; E251-K266 PolarHBondContact OE2-NZ 3.17Å
267	D	75.3	Confident	68.6	Low	60 Å²	60	71.3 Å²	71.3	32%	0.321	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-6.8	176.4	57.1	2.3	0	0	0	113.5	D248 N249 C265 S269	D248-D267 PolarHBondContact N-OD2 2.99Å; N249-D267 HydrophobicContact CB-CB 4.47Å; N249-D267 WeakPolarHBondContact CB-OD2 3.34Å; N249-D267 PolarHBondContact N-OD2 3.29Å; N249-D267 PolarHBondContact ND2-OD1 2.9Å; N249-D267 PolarHBondContact ND2-OD2 2.62Å; N249-D267 VanDerWaalsContact ND2-OD2 3.12Å; C265-D267 VanDerWaalsContact CB-OD1 3.25Å; C265-D267 WeakPolarHBondContact CB-OD1 3.48Å; C265-D267 PolarHBondContact O-N 2.99Å; C265-D267 VanDerWaalsContact O-N 3.08Å; D267-S269 VanDerWaalsContact C-N 3.31Å; D267-S269 VanDerWaalsContact CG-OG 3.29Å; D267-S269 WeakPolarHBondContact OD1-CB 3.27Å; D267-S269 PolarHBondContact OD1-N 3.34Å; D267-S269 PolarHBondContact OD1-OG 3.43Å; D267-S269 PolarHBondContact OD2-OG 2.69Å
268	K	71.6	Confident	67.5	Low	126 Å²	126	71.9 Å²	71.9	55%	0.548	40%	0.402	S	S	.	.			trans	64.3	26.1	-171.9	-44.8	-161.8	171	-156.4	0	114.9	P263 C265 D270 E271 S272	P263-K268 HydrophobicContact CB-CB 4.4Å; P263-K268 HydrophobicContact CB-CD 3.77Å; P263-K268 HydrophobicContact CB-CG 3.76Å; C265-K268 PolarHBondContact O-N 2.9Å; K268-D270 VanDerWaalsContact C-N 3.31Å; K268-D270 VanDerWaalsContact CA-OD1 3.28Å; K268-D270 WeakPolarHBondContact CA-OD1 3.45Å; K268-E271 PolarHBondContact O-N 2.87Å; K268-S272 WeakPolarHBondContact O-CB 3.5Å; K268-S272 PolarHBondContact O-N 3.23Å; K268-S272 VanDerWaalsContact O-N 3.09Å
269	S	80.8	Confident	66.4	Low	13 Å²	13	70.1 Å²	70.1	9%	0.091	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.4	-179.2	-75.5	0	0	0	0	115.1	D248 D267	D248-S269 WeakPolarHBondContact CB-OG 3.23Å; D248-S269 VanDerWaalsContact CG-OG 3.32Å; D248-S269 WeakPolarHBondContact OD2-CB 3.48Å; D248-S269 PolarHBondContact OD2-OG 3.3Å; D267-S269 VanDerWaalsContact C-N 3.31Å; D267-S269 VanDerWaalsContact CG-OG 3.29Å; D267-S269 WeakPolarHBondContact OD1-CB 3.27Å; D267-S269 PolarHBondContact OD1-N 3.34Å; D267-S269 PolarHBondContact OD1-OG 3.43Å; D267-S269 PolarHBondContact OD2-OG 2.69Å
270	D	77.9	Confident	65.6	Low	0 Å²	0	75.6 Å²	75.6	0%	0	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-50.8	162.4	42.6	3.8	0	0	0	112.3	F245 I253 K258 D264 C265 K268 C274	F245-D270 HydrophobicContact CE1-CB 4.36Å; I253-D270 HydrophobicContact CD1-CB 3.71Å; K258-D270 WeakPolarHBondContact CE-O 3.18Å; K258-D270 HydrophobicContact CG-CB 4.35Å; K258-D270 WeakPolarHBondContact CG-O 3.46Å; D264-D270 WeakPolarHBondContact CA-OD2 3.04Å; D264-D270 PolarHBondContact N-OD2 3.48Å; C265-D270 HydrophobicContact CB-CB 4.22Å; C265-D270 WeakPolarHBondContact CB-OD2 3.5Å; C265-D270 PolarHBondContact N-OD2 2.87Å; C265-D270 VanDerWaalsContact SG-CB 3.57Å; C265-D270 VanDerWaalsContact SG-CG 3.57Å; K268-D270 VanDerWaalsContact C-N 3.31Å; K268-D270 VanDerWaalsContact CA-OD1 3.28Å; K268-D270 WeakPolarHBondContact CA-OD1 3.45Å; D270-C274 PolarHBondContact O-SG 2.8Å
271	E	81.4	Confident	65.1	Low	63 Å²	63	78.9 Å²	78.9	29%	0.294	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.7	-178.6	-65.5	-57	127	0	0	113.1	C259 D260 G261 K268	C259-E271 WeakPolarHBondContact CA-OE1 3.45Å; C259-E271 PolarHBondContact N-OE1 3.45Å; D260-E271 PolarHBondContact N-OE1 3.12Å; G261-E271 PolarHBondContact N-OE1 2.82Å; G261-E271 VanDerWaalsContact N-OE1 3.11Å; G261-E271 PolarHBondContact N-OE2 2.81Å; K268-E271 PolarHBondContact O-N 2.87Å
272	S	70.2	Confident	64.6	Low	54 Å²	54	80.7 Å²	80.7	38%	0.378	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	137	174	100.3	0	0	0	0	112.2	K268 C274	K268-S272 WeakPolarHBondContact O-CB 3.5Å; K268-S272 PolarHBondContact O-N 3.23Å; K268-S272 VanDerWaalsContact O-N 3.09Å; S272-C274 PolarHBondContact O-N 3.13Å; S272-C274 VanDerWaalsContact O-N 3.15Å
273	D	63.9	Low	64.8	Low	154 Å²	154	81.2 Å²	81.2	82%	0.824	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	36	-172	-154.4	40.8	0	0	0	113.6
274	C	64	Low	64.7	Low	31 Å²	31	80.5 Å²	80.5	21%	0.209	42%	0.424	C	S	.	.			trans	-58.8	128.6	153.4	-73.7	0	0	0	0	108.7	C259 D270 S272 L276	C259-C274 WeakPolarHBondContact CA-SG 3.29Å; C259-C274 HydrophobicContact CB-CB 3.89Å; C259-C274 WeakPolarHBondContact CB-SG 3.34Å; C259-C274 VanDerWaalsContact SG-CA 3.5Å; C259-C274 WeakPolarHBondContact SG-CB 3.28Å; C259-C274 CovalentContact SG-SG 2.03Å; C259-C274 PolarHBondContact SG-SG 2.87Å; D270-C274 PolarHBondContact O-SG 2.8Å; S272-C274 PolarHBondContact O-N 3.13Å; S272-C274 VanDerWaalsContact O-N 3.15Å; C274-L276 PolarHBondContact O-N 2.97Å; C274-L276 VanDerWaalsContact O-N 3.07Å
275	P	57.2	Low	64.5	Low	93 Å²	93	81.8 Å²	81.8	60%	0.604	43%	0.428	S	S	*	.			trans	-60.1	120.9	173.3	26.5	-32.6	0	0	0	107.3	L277	P275-L277 PolarHBondContact O-N 2.91Å
276	L	45	Very low	64.3	Low	160 Å²	160	82 Å²	82	84%	0.838	43%	0.429	S	S	*	.			trans	-42.5	112.2	178.4	-91.1	168.9	0	0	0	109	C274 T278	C274-L276 PolarHBondContact O-N 2.97Å; C274-L276 VanDerWaalsContact O-N 3.07Å; L276-T278 PolarHBondContact O-N 2.92Å
277	L	44.8	Very low	64.4	Low	101 Å²	101	78.6 Å²	78.6	53%	0.529	43%	0.433	S	S	.	.			trans	-77.7	68.6	-176.8	-135.5	73.2	0	0	0	108.7	P275 C279 Q285 C291	P275-L277 PolarHBondContact O-N 2.91Å; L277-C279 PolarHBondContact O-N 2.84Å; L277-Q285 PolarHBondContact O-NE2 3.01Å; L277-Q285 VanDerWaalsContact O-NE2 3.07Å; L277-C291 HydrophobicContact CD2-CB 4.29Å; L277-C291 PolarHBondContact O-SG 2.84Å; L277-C291 VanDerWaalsContact O-SG 3.37Å
278	T	49.2	Very low	63.7	Low	115 Å²	115	81.7 Å²	81.7	71%	0.706	45%	0.449	S	S	*	.			trans	-54.5	100.7	145.9	50	0	0	0	0	105	L276	L276-T278 PolarHBondContact O-N 2.92Å
279	C	54.5	Low	63.4	Low	21 Å²	21	77.2 Å²	77.2	14%	0.142	44%	0.439	C	S	.	.			trans	-54.3	160.2	-172.7	-42.9	0	0	0	0	110.5	L277 E283 Q285 C291	L277-C279 PolarHBondContact O-N 2.84Å; C279-E283 HydrophobicContact CB-CB 3.45Å; C279-E283 VanDerWaalsContact CB-CB 3.45Å; C279-Q285 VanDerWaalsContact SG-CA 3.56Å; C279-Q285 WeakPolarHBondContact SG-CB 3.33Å; C279-C291 VanDerWaalsContact CA-SG 3.55Å; C279-C291 HydrophobicContact CB-CB 3.78Å; C279-C291 WeakPolarHBondContact CB-SG 3.37Å; C279-C291 VanDerWaalsContact SG-CA 3.59Å; C279-C291 WeakPolarHBondContact SG-CB 3.47Å; C279-C291 CovalentContact SG-SG 2.03Å; C279-C291 PolarHBondContact SG-SG 3.49Å
280	R	53	Low	62.7	Low	168 Å²	168	78.7 Å²	78.7	63%	0.634	45%	0.449	S	S	*	.			trans	-57.4	157.7	178.4	-60.8	177.1	172.1	171.3	-0.1	110.3	D282 E283	R280-D282 WeakPolarHBondContact CB-OD1 3.4Å; R280-D282 PolarHBondContact O-N 3.19Å; R280-E283 HydrophobicContact CB-CB 4.49Å; R280-E283 HydrophobicContact CB-CG 4.18Å; R280-E283 WeakPolarHBondContact CB-OE2 3.47Å; R280-E283 WeakPolarHBondContact CD-OE1 3.36Å; R280-E283 WeakPolarHBondContact CG-OE2 3.4Å; R280-E283 PolarHBondContact N-OE2 2.83Å; R280-E283 PolarHBondContact O-N 3.3Å
281	P	54.5	Low	62.4	Low	144 Å²	144	80.6 Å²	80.6	94%	0.935	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.3	-177	-25.2	35.9	0	0	0	115.5
282	D	53.6	Low	61.8	Low	89 Å²	89	78.4 Å²	78.4	48%	0.476	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	6.7	175.8	48	-41.8	0	0	0	114.2	R280 G294	R280-D282 WeakPolarHBondContact CB-OD1 3.4Å; R280-D282 PolarHBondContact O-N 3.19Å; D282-G294 WeakPolarHBondContact O-CA 3.3Å; D282-G294 PolarHBondContact O-N 3.24Å
283	E	66.7	Low	61.5	Low	59 Å²	59	80.2 Å²	80.2	28%	0.276	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.8	-177.3	-67.2	163.4	178.1	0	0	111.5	C279 R280 I292	C279-E283 HydrophobicContact CB-CB 3.45Å; C279-E283 VanDerWaalsContact CB-CB 3.45Å; R280-E283 HydrophobicContact CB-CB 4.49Å; R280-E283 HydrophobicContact CB-CG 4.18Å; R280-E283 WeakPolarHBondContact CB-OE2 3.47Å; R280-E283 WeakPolarHBondContact CD-OE1 3.36Å; R280-E283 WeakPolarHBondContact CG-OE2 3.4Å; R280-E283 PolarHBondContact N-OE2 2.83Å; R280-E283 PolarHBondContact O-N 3.3Å; E283-I292 CarbonylContact C-O 3.24Å; E283-I292 VanDerWaalsContact CA-O 3.29Å; E283-I292 WeakPolarHBondContact CA-O 3.33Å; E283-I292 WeakPolarHBondContact CB-O 3.28Å
284	F	71	Confident	61.2	Low	51 Å²	51	74.4 Å²	74.4	22%	0.224	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143	177.5	170.9	-101.5	0	0	0	110.9	C291 I292 Q297 S308	F284-C291 WeakPolarHBondContact O-CA 3.41Å; F284-I292 HydrophobicContact CB-CG1 4.23Å; F284-I292 HydrophobicContact CD1-CD1 4.02Å; F284-I292 HydrophobicContact CD1-CG1 3.98Å; F284-I292 PolarHBondContact N-O 2.89Å; F284-I292 PolarHBondContact O-N 2.83Å; F284-Q297 HydrophobicContact CB-CB 4.11Å; F284-Q297 HydrophobicContact CB-CG 4.34Å; F284-Q297 HydrophobicContact CD1-CB 4.18Å; F284-Q297 HydrophobicContact CD1-CG 3.84Å; F284-Q297 HydrophobicContact CD2-CG 4.02Å; F284-Q297 VanDerWaalsContact CD2-NE2 3.27Å; F284-Q297 HydrophobicContact CE1-CG 4.11Å; F284-Q297 HydrophobicContact CE2-CG 4.3Å; F284-Q297 HydrophobicContact CG-CB 4.06Å; F284-Q297 HydrophobicContact CG-CG 3.78Å; F284-Q297 HydrophobicContact CZ-CG 4.33Å; F284-S308 WeakPolarHBondContact CE1-O 3.3Å; F284-S308 WeakPolarHBondContact CZ-O 3.47Å
285	Q	73.3	Confident	61.2	Low	79 Å²	79	78 Å²	78	37%	0.369	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.6	-179.5	-160.2	167.5	16.8	0	0	111.4	L277 C279 G289 S290	L277-Q285 PolarHBondContact O-NE2 3.01Å; L277-Q285 VanDerWaalsContact O-NE2 3.07Å; C279-Q285 VanDerWaalsContact SG-CA 3.56Å; C279-Q285 WeakPolarHBondContact SG-CB 3.33Å; Q285-G289 WeakPolarHBondContact CG-O 3.39Å; Q285-G289 PolarHBondContact NE2-O 3.26Å; Q285-G289 VanDerWaalsContact NE2-O 3.1Å; Q285-S290 CarbonylContact C-O 3.56Å; Q285-S290 WeakPolarHBondContact CA-O 3.48Å
286	C	75.1	Confident	61.8	Low	5 Å²	5	77.4 Å²	77.4	3%	0.034	44%	0.44	C	S	.	.			trans	-60.1	158.8	169.8	-54.2	0	0	0	0	111	D288 G289 S290 C304	C286-D288 PolarHBondContact O-N 3.42Å; C286-G289 PolarHBondContact O-N 3.35Å; C286-S290 WeakPolarHBondContact CB-O 3.26Å; C286-S290 PolarHBondContact N-O 3.41Å; C286-S290 PolarHBondContact SG-O 3.2Å; C286-S290 VanDerWaalsContact SG-O 3.35Å; C286-C304 VanDerWaalsContact CA-SG 3.59Å; C286-C304 HydrophobicContact CB-CB 3.86Å; C286-C304 WeakPolarHBondContact CB-SG 3.43Å; C286-C304 WeakPolarHBondContact SG-CB 3.05Å; C286-C304 CovalentContact SG-SG 2.03Å; C286-C304 PolarHBondContact SG-SG 3.31Å
287	G	68.9	Low	62.8	Low	64 Å²	64	73.8 Å²	73.8	66%	0.66	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.7	175.9	0	0	0	0	0	113.5	G289 S308	G287-G289 VanDerWaalsContact C-N 3.27Å; G287-G289 PolarHBondContact O-N 3.05Å; G287-S308 PolarHBondContact N-OG 2.96Å
288	D	61.6	Low	63.9	Low	125 Å²	125	71.6 Å²	71.6	67%	0.668	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	12.6	175.1	-152.7	33.2	0	0	0	113.2	C286 S290 D306	C286-D288 PolarHBondContact O-N 3.42Å; D288-S290 VanDerWaalsContact C-N 3.34Å; D288-S290 PolarHBondContact O-N 2.76Å; D288-D306 HydrophobicContact CB-CB 4.11Å
289	G	65	Low	64.9	Low	32 Å²	32	69 Å²	69	33%	0.33	39%	0.393	S	S	.	.	S	Bend	trans	86.8	-16.2	173	0	0	0	0	0	116.4	Q285 C286 G287	Q285-G289 WeakPolarHBondContact CG-O 3.39Å; Q285-G289 PolarHBondContact NE2-O 3.26Å; Q285-G289 VanDerWaalsContact NE2-O 3.1Å; C286-G289 PolarHBondContact O-N 3.35Å; G287-G289 VanDerWaalsContact C-N 3.27Å; G287-G289 PolarHBondContact O-N 3.05Å
290	S	65.9	Low	65.3	Low	44 Å²	44	74.7 Å²	74.7	31%	0.308	42%	0.416	S	S	.	.			trans	-61.4	149.8	177	10	0	0	0	0	112.6	Q285 C286 D288	Q285-S290 CarbonylContact C-O 3.56Å; Q285-S290 WeakPolarHBondContact CA-O 3.48Å; C286-S290 WeakPolarHBondContact CB-O 3.26Å; C286-S290 PolarHBondContact N-O 3.41Å; C286-S290 PolarHBondContact SG-O 3.2Å; C286-S290 VanDerWaalsContact SG-O 3.35Å; D288-S290 VanDerWaalsContact C-N 3.34Å; D288-S290 PolarHBondContact O-N 2.76Å
291	C	71.4	Confident	66	Low	41 Å²	41	70.5 Å²	70.5	28%	0.277	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.7	-178.9	-69.2	0	0	0	0	112.5	L277 C279 F284	L277-C291 HydrophobicContact CD2-CB 4.29Å; L277-C291 PolarHBondContact O-SG 2.84Å; L277-C291 VanDerWaalsContact O-SG 3.37Å; C279-C291 VanDerWaalsContact CA-SG 3.55Å; C279-C291 HydrophobicContact CB-CB 3.78Å; C279-C291 WeakPolarHBondContact CB-SG 3.37Å; C279-C291 VanDerWaalsContact SG-CA 3.59Å; C279-C291 WeakPolarHBondContact SG-CB 3.47Å; C279-C291 CovalentContact SG-SG 2.03Å; C279-C291 PolarHBondContact SG-SG 3.49Å; F284-C291 WeakPolarHBondContact O-CA 3.41Å
292	I	69.7	Low	66.9	Low	16 Å²	16	69.4 Å²	69.4	8%	0.082	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	150.4	171.7	59.6	168.1	0	0	0	110.6	E283 F284 G294 K296 D303 D309	E283-I292 CarbonylContact C-O 3.24Å; E283-I292 VanDerWaalsContact CA-O 3.29Å; E283-I292 WeakPolarHBondContact CA-O 3.33Å; E283-I292 WeakPolarHBondContact CB-O 3.28Å; F284-I292 HydrophobicContact CB-CG1 4.23Å; F284-I292 HydrophobicContact CD1-CD1 4.02Å; F284-I292 HydrophobicContact CD1-CG1 3.98Å; F284-I292 PolarHBondContact N-O 2.89Å; F284-I292 PolarHBondContact O-N 2.83Å; I292-G294 PolarHBondContact O-N 3.39Å; I292-K296 HydrophobicContact CB-CB 4.36Å; I292-K296 HydrophobicContact CB-CD 4.35Å; I292-K296 HydrophobicContact CD1-CB 3.83Å; I292-K296 HydrophobicContact CG1-CB 4.43Å; I292-D303 HydrophobicContact CD1-CB 4.32Å; I292-D303 HydrophobicContact CG2-CB 4.45Å; I292-D309 HydrophobicContact CD1-CB 3.56Å
293	H	63.8	Low	68.1	Low	93 Å²	93	67.3 Å²	67.3	43%	0.431	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	136.9	174.6	-171.3	-104.2	0	0	0	110.7	T295 K296	H293-T295 PolarHBondContact ND1-OG1 2.91Å; H293-T295 PolarHBondContact O-N 3.34Å; H293-K296 VanDerWaalsContact O-CB 3.31Å; H293-K296 WeakPolarHBondContact O-CB 3.47Å; H293-K296 PolarHBondContact O-N 2.86Å
294	G	58.2	Low	68.5	Low	32 Å²	32	64.7 Å²	64.7	33%	0.33	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.5	-168.1	0	0	0	0	0	115.5	D282 I292 K296	D282-G294 WeakPolarHBondContact O-CA 3.3Å; D282-G294 PolarHBondContact O-N 3.24Å; I292-G294 PolarHBondContact O-N 3.39Å; G294-K296 VanDerWaalsContact C-N 3.32Å
295	T	63.6	Low	68.4	Low	105 Å²	105	66.8 Å²	66.8	64%	0.644	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.9	169.7	62.3	0	0	0	0	114.1	H293	H293-T295 PolarHBondContact ND1-OG1 2.91Å; H293-T295 PolarHBondContact O-N 3.34Å
296	K	68.4	Low	68.5	Low	82 Å²	82	67.2 Å²	67.2	36%	0.357	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-26	175.9	-71.6	-177.1	154.8	-150.5	0	112.7	I292 H293 G294 C298 N299 D303	I292-K296 HydrophobicContact CB-CB 4.36Å; I292-K296 HydrophobicContact CB-CD 4.35Å; I292-K296 HydrophobicContact CD1-CB 3.83Å; I292-K296 HydrophobicContact CG1-CB 4.43Å; H293-K296 VanDerWaalsContact O-CB 3.31Å; H293-K296 WeakPolarHBondContact O-CB 3.47Å; H293-K296 PolarHBondContact O-N 2.86Å; G294-K296 VanDerWaalsContact C-N 3.32Å; K296-C298 PolarHBondContact O-N 3.14Å; K296-N299 WeakPolarHBondContact CA-ND2 3.42Å; K296-N299 WeakPolarHBondContact O-CB 3.49Å; K296-N299 PolarHBondContact O-N 3.27Å; K296-N299 PolarHBondContact O-ND2 3.1Å; K296-N299 PolarHBondContact O-OD1 2.62Å; K296-D303 HydrophobicContact CB-CB 4.14Å; K296-D303 WeakPolarHBondContact CB-OD2 3.37Å; K296-D303 HydrophobicContact CD-CB 3.97Å; K296-D303 WeakPolarHBondContact CD-OD2 3.02Å; K296-D303 VanDerWaalsContact CE-OD1 3.28Å; K296-D303 WeakPolarHBondContact CE-OD1 3.26Å; K296-D303 HydrophobicContact CG-CB 4.49Å; K296-D303 WeakPolarHBondContact CG-OD2 3.17Å; K296-D303 IonicContact NZ-OD1 2.79Å; K296-D303 PolarHBondContact NZ-OD1 2.93Å; K296-D303 IonicContact NZ-OD2 3.73Å
297	Q	67.6	Low	68.4	Low	83 Å²	83	71.7 Å²	71.7	39%	0.388	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	130.8	170.7	-164.4	-168.9	8.5	0	0	110.4	F284 N299	F284-Q297 HydrophobicContact CB-CB 4.11Å; F284-Q297 HydrophobicContact CB-CG 4.34Å; F284-Q297 HydrophobicContact CD1-CB 4.18Å; F284-Q297 HydrophobicContact CD1-CG 3.84Å; F284-Q297 HydrophobicContact CD2-CG 4.02Å; F284-Q297 VanDerWaalsContact CD2-NE2 3.27Å; F284-Q297 HydrophobicContact CE1-CG 4.11Å; F284-Q297 HydrophobicContact CE2-CG 4.3Å; F284-Q297 HydrophobicContact CG-CB 4.06Å; F284-Q297 HydrophobicContact CG-CG 3.78Å; F284-Q297 HydrophobicContact CZ-CG 4.33Å; Q297-N299 VanDerWaalsContact C-N 3.34Å; Q297-N299 PolarHBondContact O-N 2.85Å
298	C	67.3	Low	68.8	Low	56 Å²	56	69.1 Å²	69.1	38%	0.378	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	29.9	179.3	-48.6	0	0	0	0	116.2	K296 D309 E310 C313	K296-C298 PolarHBondContact O-N 3.14Å; C298-D309 PolarHBondContact N-O 2.89Å; C298-E310 WeakPolarHBondContact CA-OE1 3.43Å; C298-E310 PolarHBondContact N-OE1 3.15Å; C298-C313 WeakPolarHBondContact CA-SG 3.26Å; C298-C313 HydrophobicContact CB-CB 3.88Å; C298-C313 WeakPolarHBondContact CB-SG 3.42Å; C298-C313 WeakPolarHBondContact SG-CB 3.43Å; C298-C313 CovalentContact SG-SG 2.03Å; C298-C313 PolarHBondContact SG-SG 2.97Å
299	N	69	Low	69.3	Low	59 Å²	59	63.1 Å²	63.1	32%	0.316	35%	0.351	S	S	.	.	S	Bend	trans	-88.4	-8.6	-179.9	74.3	4	0	0	0	115.1	K296 Q297 V301 D303 E310	K296-N299 WeakPolarHBondContact CA-ND2 3.42Å; K296-N299 WeakPolarHBondContact O-CB 3.49Å; K296-N299 PolarHBondContact O-N 3.27Å; K296-N299 PolarHBondContact O-ND2 3.1Å; K296-N299 PolarHBondContact O-OD1 2.62Å; Q297-N299 VanDerWaalsContact C-N 3.34Å; Q297-N299 PolarHBondContact O-N 2.85Å; N299-V301 WeakPolarHBondContact OD1-CA 3.47Å; N299-V301 VanDerWaalsContact OD1-CB 3.31Å; N299-V301 WeakPolarHBondContact OD1-CB 3.11Å; N299-V301 PolarHBondContact OD1-N 3.12Å; N299-V301 PolarHBondContact OD1-O 2.87Å; N299-D303 PolarHBondContact ND2-OD2 2.88Å; N299-E310 PolarHBondContact N-OE1 2.88Å
300	K	64.4	Low	69.8	Low	142 Å²	142	63.4 Å²	63.4	62%	0.617	34%	0.344	S	S	*	.	S	Bend	trans	72.1	23.3	-171.8	-49	-174.2	-170.7	68.5	0	116.1	E310	K300-E310 VanDerWaalsContact CA-CD 3.49Å; K300-E310 WeakPolarHBondContact CA-OE1 3.32Å; K300-E310 WeakPolarHBondContact CA-OE2 3.11Å; K300-E310 VanDerWaalsContact N-CD 3.33Å; K300-E310 PolarHBondContact N-OE1 2.89Å
301	V	68.3	Low	70	Confident	80 Å²	80	65.1 Å²	65.1	49%	0.485	36%	0.356	S	S	.	.	S	Bend	trans	-116.6	147.8	166.3	-174.7	0	0	0	0	106.5	N299 D303	N299-V301 WeakPolarHBondContact OD1-CA 3.47Å; N299-V301 VanDerWaalsContact OD1-CB 3.31Å; N299-V301 WeakPolarHBondContact OD1-CB 3.11Å; N299-V301 PolarHBondContact OD1-N 3.12Å; N299-V301 PolarHBondContact OD1-O 2.87Å; V301-D303 PolarHBondContact O-N 2.86Å
302	H	73.1	Confident	69.6	Low	120 Å²	120	66.8 Å²	66.8	56%	0.556	38%	0.38	S	S	*	.			trans	-89.4	88.1	171.9	-62.2	-50.9	0	0	0	108.7	H307	H302-H307 WeakPolarHBondContact CB-ND1 3.28Å; H302-H307 AromaticContact CD2-CE1 3.99Å; H302-H307 AromaticContact CD2-ND1 3.49Å; H302-H307 PolarHBondContact CD2-ND1 3.19Å; H302-H307 AromaticContact CE1-ND1 3.8Å; H302-H307 AromaticContact CG-CE1 3.93Å; H302-H307 AromaticContact CG-ND1 3.12Å; H302-H307 AromaticContact ND1-CG 3.99Å; H302-H307 AromaticContact ND1-ND1 3.33Å; H302-H307 PolarHBondContact ND1-ND1 3.12Å; H302-H307 AromaticContact NE2-ND1 3.91Å
303	D	77.8	Confident	69.3	Low	45 Å²	45	67 Å²	67	24%	0.241	38%	0.383	C	S	.	.			trans	-86.6	-22.9	172.5	-81.8	-58.8	0	0	0	112.6	I292 K296 N299 V301 D309	I292-D303 HydrophobicContact CD1-CB 4.32Å; I292-D303 HydrophobicContact CG2-CB 4.45Å; K296-D303 HydrophobicContact CB-CB 4.14Å; K296-D303 WeakPolarHBondContact CB-OD2 3.37Å; K296-D303 HydrophobicContact CD-CB 3.97Å; K296-D303 WeakPolarHBondContact CD-OD2 3.02Å; K296-D303 VanDerWaalsContact CE-OD1 3.28Å; K296-D303 WeakPolarHBondContact CE-OD1 3.26Å; K296-D303 HydrophobicContact CG-CB 4.49Å; K296-D303 WeakPolarHBondContact CG-OD2 3.17Å; K296-D303 IonicContact NZ-OD1 2.79Å; K296-D303 PolarHBondContact NZ-OD1 2.93Å; K296-D303 IonicContact NZ-OD2 3.73Å; N299-D303 PolarHBondContact ND2-OD2 2.88Å; V301-D303 PolarHBondContact O-N 2.86Å; D303-D309 VanDerWaalsContact CA-OD2 3.32Å; D303-D309 WeakPolarHBondContact CA-OD2 3.27Å; D303-D309 WeakPolarHBondContact CB-OD2 3.49Å; D303-D309 PolarHBondContact N-OD2 3.31Å
304	C	74.8	Confident	68.9	Low	4 Å²	4	69.4 Å²	69.4	3%	0.027	40%	0.404	C	S	.	.	S	Bend	trans	-90.4	139.2	168.8	-79	0	0	0	0	112.1	C286 D306 H307 D309	C286-C304 VanDerWaalsContact CA-SG 3.59Å; C286-C304 HydrophobicContact CB-CB 3.86Å; C286-C304 WeakPolarHBondContact CB-SG 3.43Å; C286-C304 WeakPolarHBondContact SG-CB 3.05Å; C286-C304 CovalentContact SG-SG 2.03Å; C286-C304 PolarHBondContact SG-SG 3.31Å; C304-D306 VanDerWaalsContact C-N 3.33Å; C304-D306 PolarHBondContact O-N 3.03Å; C304-H307 PolarHBondContact O-N 3.2Å; C304-D309 HydrophobicContact CB-CB 3.91Å; C304-D309 PolarHBondContact N-OD2 2.77Å; C304-D309 VanDerWaalsContact SG-CB 3.58Å
305	P	70.6	Confident	68.2	Low	95 Å²	95	72 Å²	72	62%	0.617	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.2	176	-25.4	34.8	0	0	0	114.7	H307	P305-H307 VanDerWaalsContact C-N 3.33Å
306	D	73.4	Confident	67.2	Low	88 Å²	88	71.3 Å²	71.3	47%	0.471	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	8.6	177.7	169.8	68	0	0	0	113	D288 C304 S308	D288-D306 HydrophobicContact CB-CB 4.11Å; C304-D306 VanDerWaalsContact C-N 3.33Å; C304-D306 PolarHBondContact O-N 3.03Å; D306-S308 WeakPolarHBondContact CB-OG 3.4Å; D306-S308 PolarHBondContact O-N 3.34Å; D306-S308 WeakPolarHBondContact OD2-CB 3.29Å; D306-S308 PolarHBondContact OD2-OG 3.32Å
307	H	73.6	Confident	66.2	Low	99 Å²	99	71.9 Å²	71.9	46%	0.458	43%	0.426	S	S	.	.	S	Bend	trans	57.2	15.7	-176.1	-47.1	-80.8	0	0	0	115	H302 C304 P305 D309 E310 S311	H302-H307 WeakPolarHBondContact CB-ND1 3.28Å; H302-H307 AromaticContact CD2-CE1 3.99Å; H302-H307 AromaticContact CD2-ND1 3.49Å; H302-H307 PolarHBondContact CD2-ND1 3.19Å; H302-H307 AromaticContact CE1-ND1 3.8Å; H302-H307 AromaticContact CG-CE1 3.93Å; H302-H307 AromaticContact CG-ND1 3.12Å; H302-H307 AromaticContact ND1-CG 3.99Å; H302-H307 AromaticContact ND1-ND1 3.33Å; H302-H307 PolarHBondContact ND1-ND1 3.12Å; H302-H307 AromaticContact NE2-ND1 3.91Å; C304-H307 PolarHBondContact O-N 3.2Å; P305-H307 VanDerWaalsContact C-N 3.33Å; H307-D309 WeakPolarHBondContact CA-OD1 3.49Å; H307-D309 PolarHBondContact O-N 3.35Å; H307-E310 PolarHBondContact O-N 3.13Å; H307-S311 PolarHBondContact O-N 3.08Å
308	S	77.4	Confident	65.3	Low	10 Å²	10	74.3 Å²	74.3	7%	0.07	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.9	-176.2	26.1	0	0	0	0	114.8	F284 G287 D306	F284-S308 WeakPolarHBondContact CE1-O 3.3Å; F284-S308 WeakPolarHBondContact CZ-O 3.47Å; G287-S308 PolarHBondContact N-OG 2.96Å; D306-S308 WeakPolarHBondContact CB-OG 3.4Å; D306-S308 PolarHBondContact O-N 3.34Å; D306-S308 WeakPolarHBondContact OD2-CB 3.29Å; D306-S308 PolarHBondContact OD2-OG 3.32Å
309	D	73	Confident	64.9	Low	0 Å²	0	72.4 Å²	72.4	0%	0	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-31.3	161.5	52.3	-13.4	0	0	0	113.9	I292 C298 D303 C304 H307 C313	I292-D309 HydrophobicContact CD1-CB 3.56Å; C298-D309 PolarHBondContact N-O 2.89Å; D303-D309 VanDerWaalsContact CA-OD2 3.32Å; D303-D309 WeakPolarHBondContact CA-OD2 3.27Å; D303-D309 WeakPolarHBondContact CB-OD2 3.49Å; D303-D309 PolarHBondContact N-OD2 3.31Å; C304-D309 HydrophobicContact CB-CB 3.91Å; C304-D309 PolarHBondContact N-OD2 2.77Å; C304-D309 VanDerWaalsContact SG-CB 3.58Å; H307-D309 WeakPolarHBondContact CA-OD1 3.49Å; H307-D309 PolarHBondContact O-N 3.35Å; D309-C313 PolarHBondContact O-SG 3.32Å
310	E	75.8	Confident	64.1	Low	38 Å²	38	76.4 Å²	76.4	18%	0.178	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-23.5	175.7	-73.5	-64.8	123.7	0	0	112.1	C298 N299 K300 H307 C313	C298-E310 WeakPolarHBondContact CA-OE1 3.43Å; C298-E310 PolarHBondContact N-OE1 3.15Å; N299-E310 PolarHBondContact N-OE1 2.88Å; K300-E310 VanDerWaalsContact CA-CD 3.49Å; K300-E310 WeakPolarHBondContact CA-OE1 3.32Å; K300-E310 WeakPolarHBondContact CA-OE2 3.11Å; K300-E310 VanDerWaalsContact N-CD 3.33Å; K300-E310 PolarHBondContact N-OE1 2.89Å; H307-E310 PolarHBondContact O-N 3.13Å; E310-C313 WeakPolarHBondContact O-CB 3.44Å; E310-C313 PolarHBondContact O-N 2.99Å
311	S	69.6	Low	63.7	Low	80 Å²	80	71.7 Å²	71.7	56%	0.559	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	133.5	176	112.1	0	0	0	0	111.2	H307 C313	H307-S311 PolarHBondContact O-N 3.08Å; S311-C313 PolarHBondContact O-N 3.28Å
312	G	62.9	Low	63	Low	76 Å²	76	74.2 Å²	74.2	78%	0.784	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-4.9	-175.4	0	0	0	0	0	115.7	V314	G312-V314 PolarHBondContact O-N 3.28Å
313	C	62.6	Low	62.5	Low	21 Å²	21	73.8 Å²	73.8	14%	0.142	45%	0.45	C	S	.	.			trans	-55.7	120.1	171.9	-77.4	0	0	0	0	111.9	C298 D309 E310 S311 N315	C298-C313 WeakPolarHBondContact CA-SG 3.26Å; C298-C313 HydrophobicContact CB-CB 3.88Å; C298-C313 WeakPolarHBondContact CB-SG 3.42Å; C298-C313 WeakPolarHBondContact SG-CB 3.43Å; C298-C313 CovalentContact SG-SG 2.03Å; C298-C313 PolarHBondContact SG-SG 2.97Å; D309-C313 PolarHBondContact O-SG 3.32Å; E310-C313 WeakPolarHBondContact O-CB 3.44Å; E310-C313 PolarHBondContact O-N 2.99Å; S311-C313 PolarHBondContact O-N 3.28Å; C313-N315 PolarHBondContact O-N 2.91Å
314	V	55	Low	62.1	Low	143 Å²	143	77.3 Å²	77.3	87%	0.867	46%	0.463	S	S	*	.			trans	-76.9	68.2	175.9	-169.5	0	0	0	0	109.8	G312 A316	G312-V314 PolarHBondContact O-N 3.28Å; V314-A316 PolarHBondContact O-N 2.85Å; V314-A316 VanDerWaalsContact O-N 3.08Å
315	N	45	Very low	61.9	Low	85 Å²	85	79.8 Å²	79.8	46%	0.455	47%	0.474	S	S	.	.			trans	-54.5	113.3	160.9	-90.6	-71.5	0	0	0	107.8	C313 T317	C313-N315 PolarHBondContact O-N 2.91Å; N315-T317 PolarHBondContact O-N 3.09Å
316	A	40.9	Very low	62.2	Low	92 Å²	92	79.3 Å²	79.3	76%	0.76	46%	0.463	S	S	*	.			trans	-55.3	113.5	178.1	0	0	0	0	0	109.7	V314 K318	V314-A316 PolarHBondContact O-N 2.85Å; V314-A316 VanDerWaalsContact O-N 3.08Å; A316-K318 PolarHBondContact O-N 2.82Å
317	T	48.9	Very low	62.3	Low	94 Å²	94	75.2 Å²	75.2	58%	0.577	44%	0.442	S	S	*	.			trans	-22	85.8	-158.7	-40.3	0	0	0	0	115.6	N315 C319 Q326	N315-T317 PolarHBondContact O-N 3.09Å; T317-C319 PolarHBondContact O-N 2.87Å; T317-Q326 PolarHBondContact O-NE2 3.07Å
318	K	48.3	Very low	62.4	Low	133 Å²	133	78.7 Å²	78.7	58%	0.578	46%	0.455	S	S	*	.			trans	-63.8	128.4	158.8	-118.5	-172.5	176.6	-170.4	0	107	A316 E320	A316-K318 PolarHBondContact O-N 2.82Å; K318-E320 VanDerWaalsContact C-N 3.26Å; K318-E320 HydrophobicContact CB-CG 4.26Å; K318-E320 PolarHBondContact O-N 3.17Å
319	C	57.9	Low	62.1	Low	17 Å²	17	81 Å²	81	12%	0.115	47%	0.467	C	S	.	.			trans	-81.1	72.6	-170.7	-56.3	0	0	0	0	111	T317 K324 Q326 C332	T317-C319 PolarHBondContact O-N 2.87Å; C319-K324 HydrophobicContact CB-CB 3.86Å; C319-K324 WeakPolarHBondContact O-CB 3.34Å; C319-Q326 HydrophobicContact CB-CB 4.21Å; C319-Q326 VanDerWaalsContact SG-CA 3.55Å; C319-Q326 WeakPolarHBondContact SG-CB 3.49Å; C319-Q326 VanDerWaalsContact SG-CG 3.59Å; C319-C332 WeakPolarHBondContact CA-SG 3.22Å; C319-C332 HydrophobicContact CB-CB 3.8Å; C319-C332 WeakPolarHBondContact CB-SG 3.41Å; C319-C332 WeakPolarHBondContact SG-CA 3.38Å; C319-C332 WeakPolarHBondContact SG-CB 3.18Å; C319-C332 CovalentContact SG-SG 2.03Å; C319-C332 PolarHBondContact SG-SG 2.84Å
320	E	52.6	Low	61.9	Low	142 Å²	142	82.7 Å²	82.7	66%	0.664	49%	0.485	S	S	*	.			trans	-76.2	136.2	-170.2	-63.9	-169.5	164.8	0	0	113.4	K318 K324	K318-E320 VanDerWaalsContact C-N 3.26Å; K318-E320 HydrophobicContact CB-CG 4.26Å; K318-E320 PolarHBondContact O-N 3.17Å; E320-K324 WeakPolarHBondContact O-CD 3.43Å; E320-K324 WeakPolarHBondContact O-CE 3.47Å; E320-K324 PolarHBondContact O-NZ 2.85Å
321	G	55.6	Low	61.8	Low	43 Å²	43	83.8 Å²	83.8	44%	0.443	49%	0.49	S	S	.	.	S	Bend	trans	123.1	138.6	-172.1	0	0	0	0	0	111.4	L323 K324	G321-L323 PolarHBondContact O-N 2.79Å; G321-K324 PolarHBondContact O-N 3.33Å
322	P	55.1	Low	62.1	Low	134 Å²	134	82.4 Å²	82.4	87%	0.87	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-5.7	-173.8	28.3	-36.7	0	0	0	114.6
323	L	61.7	Low	62.7	Low	111 Å²	111	79.9 Å²	79.9	58%	0.581	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	13.9	-179.9	-64.2	173.9	0	0	0	113.5	G321 D334 S335	G321-L323 PolarHBondContact O-N 2.79Å; L323-D334 CarbonylContact O-C 3.59Å; L323-D334 WeakPolarHBondContact O-CA 3.3Å; L323-S335 WeakPolarHBondContact CA-OG 3.42Å; L323-S335 WeakPolarHBondContact O-CB 3.45Å; L323-S335 PolarHBondContact O-N 2.86Å; L323-S335 PolarHBondContact O-OG 2.85Å
324	K	69.4	Low	63.2	Low	118 Å²	118	81.9 Å²	81.9	51%	0.513	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.6	178	-58.3	-179.7	-167.3	153.5	0	112.1	C319 E320 G321 I333	C319-K324 HydrophobicContact CB-CB 3.86Å; C319-K324 WeakPolarHBondContact O-CB 3.34Å; E320-K324 WeakPolarHBondContact O-CD 3.43Å; E320-K324 WeakPolarHBondContact O-CE 3.47Å; E320-K324 PolarHBondContact O-NZ 2.85Å; G321-K324 PolarHBondContact O-N 3.33Å; K324-I333 CarbonylContact C-O 3.55Å; K324-I333 WeakPolarHBondContact CA-O 3.48Å
325	F	71.4	Confident	63.8	Low	56 Å²	56	76.7 Å²	76.7	25%	0.246	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.3	176.6	175.5	-96	0	0	0	110.3	C332 I333 V338 I377	F325-C332 WeakPolarHBondContact O-CA 3.11Å; F325-I333 HydrophobicContact CB-CG1 4.13Å; F325-I333 HydrophobicContact CD1-CD1 4.03Å; F325-I333 HydrophobicContact CD1-CG1 3.91Å; F325-I333 PolarHBondContact N-O 2.89Å; F325-I333 PolarHBondContact O-N 2.79Å; F325-V338 HydrophobicContact CB-CG2 3.45Å; F325-V338 VanDerWaalsContact CB-CG2 3.45Å; F325-V338 HydrophobicContact CD1-CG2 3.78Å; F325-V338 HydrophobicContact CD2-CG1 4.38Å; F325-V338 HydrophobicContact CD2-CG2 3.91Å; F325-V338 HydrophobicContact CE1-CG2 4.48Å; F325-V338 HydrophobicContact CE2-CG1 4.37Å; F325-V338 HydrophobicContact CG-CG2 3.44Å; F325-V338 VanDerWaalsContact CG-CG2 3.44Å; F325-I377 HydrophobicContact CE1-CD1 4.44Å; F325-I377 HydrophobicContact CE2-CD1 3.93Å; F325-I377 HydrophobicContact CZ-CD1 3.61Å
326	Q	75.8	Confident	65.1	Low	86 Å²	86	76.9 Å²	76.9	40%	0.402	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110	178.9	-166.2	170.3	32.8	0	0	110.3	T317 C319	T317-Q326 PolarHBondContact O-NE2 3.07Å; C319-Q326 HydrophobicContact CB-CB 4.21Å; C319-Q326 VanDerWaalsContact SG-CA 3.55Å; C319-Q326 WeakPolarHBondContact SG-CB 3.49Å; C319-Q326 VanDerWaalsContact SG-CG 3.59Å
327	C	75.8	Confident	66.7	Low	2 Å²	2	76 Å²	76	1%	0.014	41%	0.414	C	S	.	.			trans	-60.2	149.2	168.1	-59.3	0	0	0	0	110.1	N329 G330 E331 C345	C327-N329 WeakPolarHBondContact CB-OD1 3.32Å; C327-N329 PolarHBondContact O-N 2.77Å; C327-G330 PolarHBondContact O-N 2.05Å; C327-E331 HydrophobicContact CB-CB 4.15Å; C327-E331 VanDerWaalsContact CB-O 3.28Å; C327-E331 WeakPolarHBondContact CB-O 3.16Å; C327-E331 PolarHBondContact N-O 2.92Å; C327-E331 PolarHBondContact SG-O 3.47Å; C327-C345 HydrophobicContact CB-CB 3.79Å; C327-C345 WeakPolarHBondContact CB-SG 3.3Å; C327-C345 VanDerWaalsContact SG-CA 3.54Å; C327-C345 WeakPolarHBondContact SG-CB 3.5Å; C327-C345 CovalentContact SG-SG 2.03Å; C327-C345 PolarHBondContact SG-SG 2.93Å
328	K	76.3	Confident	68.1	Low	172 Å²	172	72.1 Å²	72.1	75%	0.748	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.2	-177.5	-63.6	175.3	-175.8	177.1	0	114.4	S349	K328-S349 WeakPolarHBondContact CB-OG 3.36Å; K328-S349 WeakPolarHBondContact CG-OG 3.44Å
329	N	71.3	Confident	69.2	Low	57 Å²	57	67.3 Å²	67.3	31%	0.305	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.7	172.9	68	-10.6	0	0	0	113.9	C327 E331 D347	C327-N329 WeakPolarHBondContact CB-OD1 3.32Å; C327-N329 PolarHBondContact O-N 2.77Å; N329-E331 PolarHBondContact ND2-OE2 2.64Å; N329-E331 WeakPolarHBondContact OD1-CB 3.24Å; N329-E331 PolarHBondContact OD1-N 3.09Å; N329-E331 VanDerWaalsContact OD1-N 3.14Å; N329-D347 HydrophobicContact CB-CB 4.47Å
330	G	68.3	Low	70.2	Confident	37 Å²	37	69.5 Å²	69.5	38%	0.381	38%	0.384	S	S	.	.	S	Bend	trans	88.5	0.3	-179.4	0	0	0	0	0	115.6	C327	C327-G330 PolarHBondContact O-N 2.05Å
331	E	73.8	Confident	71.1	Confident	60 Å²	60	67.8 Å²	67.8	28%	0.28	39%	0.387	S	S	.	.			trans	-77	143.9	174.7	-63.7	-176.3	125.5	0	0	111.8	C327 N329 K346	C327-E331 HydrophobicContact CB-CB 4.15Å; C327-E331 VanDerWaalsContact CB-O 3.28Å; C327-E331 WeakPolarHBondContact CB-O 3.16Å; C327-E331 PolarHBondContact N-O 2.92Å; C327-E331 PolarHBondContact SG-O 3.47Å; N329-E331 PolarHBondContact ND2-OE2 2.64Å; N329-E331 WeakPolarHBondContact OD1-CB 3.24Å; N329-E331 PolarHBondContact OD1-N 3.09Å; N329-E331 VanDerWaalsContact OD1-N 3.14Å; E331-K346 WeakPolarHBondContact OE1-CD 3.28Å; E331-K346 WeakPolarHBondContact OE1-CE 3.39Å; E331-K346 IonicContact OE1-NZ 2.63Å; E331-K346 PolarHBondContact OE1-NZ 2.78Å; E331-K346 VanDerWaalsContact OE2-CD 3.27Å; E331-K346 WeakPolarHBondContact OE2-CD 3.24Å; E331-K346 VanDerWaalsContact OE2-CG 3.28Å; E331-K346 WeakPolarHBondContact OE2-CG 3.33Å; E331-K346 IonicContact OE2-NZ 3.99Å
332	C	75	Confident	72.2	Confident	52 Å²	52	69.2 Å²	69.2	35%	0.351	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.3	175	-60.2	0	0	0	0	110.7	C319 F325	C319-C332 WeakPolarHBondContact CA-SG 3.22Å; C319-C332 HydrophobicContact CB-CB 3.8Å; C319-C332 WeakPolarHBondContact CB-SG 3.41Å; C319-C332 WeakPolarHBondContact SG-CA 3.38Å; C319-C332 WeakPolarHBondContact SG-CB 3.18Å; C319-C332 CovalentContact SG-SG 2.03Å; C319-C332 PolarHBondContact SG-SG 2.84Å; F325-C332 WeakPolarHBondContact O-CA 3.11Å
333	I	75.9	Confident	73.3	Confident	22 Å²	22	68.4 Å²	68.4	11%	0.113	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	169.3	170.5	64.3	166.9	0	0	0	110.3	K324 F325 K337 V338 D344 D350	K324-I333 CarbonylContact C-O 3.55Å; K324-I333 WeakPolarHBondContact CA-O 3.48Å; F325-I333 HydrophobicContact CB-CG1 4.13Å; F325-I333 HydrophobicContact CD1-CD1 4.03Å; F325-I333 HydrophobicContact CD1-CG1 3.91Å; F325-I333 PolarHBondContact N-O 2.89Å; F325-I333 PolarHBondContact O-N 2.79Å; I333-K337 HydrophobicContact CD1-CB 4.35Å; I333-V338 HydrophobicContact CD1-CG2 4.24Å; I333-D344 HydrophobicContact CD1-CB 4.17Å; I333-D344 HydrophobicContact CG2-CB 4.19Å; I333-D350 HydrophobicContact CD1-CB 3.87Å
334	D	73.3	Confident	74.1	Confident	64 Å²	64	65.8 Å²	65.8	34%	0.342	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.2	173.3	-166.1	-73.8	0	0	0	110.8	L323 S336 K337	L323-D334 CarbonylContact O-C 3.59Å; L323-D334 WeakPolarHBondContact O-CA 3.3Å; D334-S336 PolarHBondContact O-N 3.47Å; D334-S336 WeakPolarHBondContact OD1-CB 3.46Å; D334-S336 PolarHBondContact OD1-N 2.96Å; D334-S336 PolarHBondContact OD1-OG 2.04Å; D334-K337 HydrophobicContact CB-CD 4.22Å; D334-K337 HydrophobicContact CB-CG 4.31Å; D334-K337 WeakPolarHBondContact O-CB 3.2Å; D334-K337 PolarHBondContact O-N 2.96Å
335	S	68	Low	74.5	Confident	34 Å²	34	60.2 Å²	60.2	24%	0.238	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-55.6	-29.3	176.6	62.4	0	0	0	0	114.1	L323 K337 V338	L323-S335 WeakPolarHBondContact CA-OG 3.42Å; L323-S335 WeakPolarHBondContact O-CB 3.45Å; L323-S335 PolarHBondContact O-N 2.86Å; L323-S335 PolarHBondContact O-OG 2.85Å; S335-K337 PolarHBondContact O-N 2.95Å; S335-V338 WeakPolarHBondContact O-CB 3.39Å; S335-V338 PolarHBondContact O-N 3.23Å
336	S	72.8	Confident	74.7	Confident	89 Å²	89	64.2 Å²	64.2	62%	0.622	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-72.2	-11.7	175.7	60.1	0	0	0	0	114	D334	D334-S336 PolarHBondContact O-N 3.47Å; D334-S336 WeakPolarHBondContact OD1-CB 3.46Å; D334-S336 PolarHBondContact OD1-N 2.96Å; D334-S336 PolarHBondContact OD1-OG 2.04Å
337	K	74	Confident	74.7	Confident	72 Å²	72	65 Å²	65	31%	0.313	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-102.6	15.8	176.1	-57.1	176.5	129.1	-68	0	112.3	I333 D334 S335 D344	I333-K337 HydrophobicContact CD1-CB 4.35Å; D334-K337 HydrophobicContact CB-CD 4.22Å; D334-K337 HydrophobicContact CB-CG 4.31Å; D334-K337 WeakPolarHBondContact O-CB 3.2Å; D334-K337 PolarHBondContact O-N 2.96Å; S335-K337 PolarHBondContact O-N 2.95Å; K337-D344 HydrophobicContact CB-CB 4.49Å; K337-D344 WeakPolarHBondContact CD-OD1 3.29Å; K337-D344 WeakPolarHBondContact CE-OD1 3.36Å; K337-D344 IonicContact NZ-OD1 3.05Å; K337-D344 PolarHBondContact NZ-OD1 3Å; K337-D344 IonicContact NZ-OD2 3.08Å; K337-D344 PolarHBondContact NZ-OD2 2.65Å
338	V	77.2	Confident	74.6	Confident	14 Å²	14	70.3 Å²	70.3	9%	0.085	38%	0.377	C	S	.	.	S	Bend	trans	-97.3	124.5	175.6	-175.8	0	0	0	0	108.2	F325 I333 S335 D340 P376 I377	F325-V338 HydrophobicContact CB-CG2 3.45Å; F325-V338 VanDerWaalsContact CB-CG2 3.45Å; F325-V338 HydrophobicContact CD1-CG2 3.78Å; F325-V338 HydrophobicContact CD2-CG1 4.38Å; F325-V338 HydrophobicContact CD2-CG2 3.91Å; F325-V338 HydrophobicContact CE1-CG2 4.48Å; F325-V338 HydrophobicContact CE2-CG1 4.37Å; F325-V338 HydrophobicContact CG-CG2 3.44Å; F325-V338 VanDerWaalsContact CG-CG2 3.44Å; I333-V338 HydrophobicContact CD1-CG2 4.24Å; S335-V338 WeakPolarHBondContact O-CB 3.39Å; S335-V338 PolarHBondContact O-N 3.23Å; V338-D340 VanDerWaalsContact C-N 3.31Å; V338-D340 PolarHBondContact O-N 3.49Å; V338-P376 HydrophobicContact CB-CB 4Å; V338-P376 HydrophobicContact CG1-CB 3.78Å; V338-I377 HydrophobicContact CG1-CD1 3.45Å; V338-I377 VanDerWaalsContact CG1-CD1 3.45Å; V338-I377 HydrophobicContact CG1-CG1 3.69Å
339	C	73.1	Confident	74.6	Confident	31 Å²	31	62.6 Å²	62.6	21%	0.209	34%	0.344	C	S	.	.	S	Bend	trans	59.1	29.2	-176.4	-155.2	0	0	0	0	116	S341 D350 C356 G357	C339-S341 VanDerWaalsContact C-N 3.26Å; C339-S341 PolarHBondContact O-N 2.82Å; C339-D350 PolarHBondContact N-O 2.96Å; C339-C356 VanDerWaalsContact CA-SG 3.54Å; C339-C356 HydrophobicContact CB-CB 4.23Å; C339-C356 WeakPolarHBondContact CB-SG 3.32Å; C339-C356 WeakPolarHBondContact SG-CA 3.04Å; C339-C356 WeakPolarHBondContact SG-CB 3.2Å; C339-C356 CovalentContact SG-SG 2.03Å; C339-C356 PolarHBondContact SG-SG 3.28Å; C339-G357 PolarHBondContact SG-N 2.82Å
340	D	77.6	Confident	74.8	Confident	64 Å²	64	59.9 Å²	59.9	34%	0.342	33%	0.33	S	S	.	.	S	Bend	trans	-84	7.8	179.2	73.8	-14.9	0	0	0	114.3	V338 V342	V338-D340 VanDerWaalsContact C-N 3.31Å; V338-D340 PolarHBondContact O-N 3.49Å; D340-V342 PolarHBondContact O-N 3.47Å; D340-V342 WeakPolarHBondContact OD1-CA 3.29Å; D340-V342 VanDerWaalsContact OD1-CB 3.25Å; D340-V342 WeakPolarHBondContact OD1-CB 3.35Å; D340-V342 PolarHBondContact OD1-N 2.96Å
341	S	71.8	Confident	75.3	Confident	105 Å²	105	59 Å²	59	73%	0.734	32%	0.316	S	S	*	.	S	Bend	trans	67.1	14.1	-169.7	-52.3	0	0	0	0	115.6	C339 E351	C339-S341 VanDerWaalsContact C-N 3.26Å; C339-S341 PolarHBondContact O-N 2.82Å; S341-E351 WeakPolarHBondContact CA-OE1 3.29Å
342	V	79	Confident	75.3	Confident	73 Å²	73	57.5 Å²	57.5	44%	0.442	31%	0.311	S	S	.	.	S	Bend	trans	-109.9	154	169.7	-170.8	0	0	0	0	109	D340 E351	D340-V342 PolarHBondContact O-N 3.47Å; D340-V342 WeakPolarHBondContact OD1-CA 3.29Å; D340-V342 VanDerWaalsContact OD1-CB 3.25Å; D340-V342 WeakPolarHBondContact OD1-CB 3.35Å; D340-V342 PolarHBondContact OD1-N 2.96Å; V342-E351 VanDerWaalsContact O-CG 3.24Å; V342-E351 WeakPolarHBondContact O-CG 3.28Å
343	K	77.6	Confident	74.9	Confident	118 Å²	118	64.3 Å²	64.3	51%	0.513	34%	0.335	S	S	.	.			trans	-101.6	97	173.4	-178.3	-170.5	172.2	-173.6	0	109.4	C345 K346 R348	K343-C345 WeakPolarHBondContact CE-O 3.5Å; K343-C345 VanDerWaalsContact CG-O 3.3Å; K343-C345 WeakPolarHBondContact CG-O 3.42Å; K343-K346 WeakPolarHBondContact CE-O 3.34Å; K343-K346 PolarHBondContact NZ-O 2.82Å; K343-R348 HydrophobicContact CD-CB 4.13Å; K343-R348 HydrophobicContact CD-CG 4.36Å; K343-R348 HydrophobicContact CG-CB 4.16Å; K343-R348 HydrophobicContact CG-CG 4.12Å
344	D	79.8	Confident	74.4	Confident	56 Å²	56	70.9 Å²	70.9	30%	0.299	36%	0.362	S	S	.	.			trans	-94.9	-37	175	-93.7	-102.7	0	0	0	111.8	I333 K337 D350	I333-D344 HydrophobicContact CD1-CB 4.17Å; I333-D344 HydrophobicContact CG2-CB 4.19Å; K337-D344 HydrophobicContact CB-CB 4.49Å; K337-D344 WeakPolarHBondContact CD-OD1 3.29Å; K337-D344 WeakPolarHBondContact CE-OD1 3.36Å; K337-D344 IonicContact NZ-OD1 3.05Å; K337-D344 PolarHBondContact NZ-OD1 3Å; K337-D344 IonicContact NZ-OD2 3.08Å; K337-D344 PolarHBondContact NZ-OD2 2.65Å; D344-D350 WeakPolarHBondContact CA-OD2 3.27Å; D344-D350 PolarHBondContact N-OD2 3.26Å
345	C	77	Confident	74.1	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.007	37%	0.367	C	S	.	.	S	Bend	trans	-73.2	130.2	169	-67.5	0	0	0	0	111	C327 K343 D347 R348 D350	C327-C345 HydrophobicContact CB-CB 3.79Å; C327-C345 WeakPolarHBondContact CB-SG 3.3Å; C327-C345 VanDerWaalsContact SG-CA 3.54Å; C327-C345 WeakPolarHBondContact SG-CB 3.5Å; C327-C345 CovalentContact SG-SG 2.03Å; C327-C345 PolarHBondContact SG-SG 2.93Å; K343-C345 WeakPolarHBondContact CE-O 3.5Å; K343-C345 VanDerWaalsContact CG-O 3.3Å; K343-C345 WeakPolarHBondContact CG-O 3.42Å; C345-D347 PolarHBondContact O-N 2.83Å; C345-R348 PolarHBondContact O-N 3.02Å; C345-D350 HydrophobicContact CB-CB 4.25Å; C345-D350 PolarHBondContact N-OD2 3.5Å
346	K	75.9	Confident	74.5	Confident	140 Å²	140	71.9 Å²	71.9	61%	0.609	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.1	175.9	-68.2	171.3	-173.3	153.5	0	113.9	E331 K343	E331-K346 WeakPolarHBondContact OE1-CD 3.28Å; E331-K346 WeakPolarHBondContact OE1-CE 3.39Å; E331-K346 IonicContact OE1-NZ 2.63Å; E331-K346 PolarHBondContact OE1-NZ 2.78Å; E331-K346 VanDerWaalsContact OE2-CD 3.27Å; E331-K346 WeakPolarHBondContact OE2-CD 3.24Å; E331-K346 VanDerWaalsContact OE2-CG 3.28Å; E331-K346 WeakPolarHBondContact OE2-CG 3.33Å; E331-K346 IonicContact OE2-NZ 3.99Å; K343-K346 WeakPolarHBondContact CE-O 3.34Å; K343-K346 PolarHBondContact NZ-O 2.82Å
347	D	75.6	Confident	74.3	Confident	102 Å²	102	70.7 Å²	70.7	55%	0.545	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	5.9	178.9	-76.3	18.8	0	0	0	114.2	N329 C345 S349	N329-D347 HydrophobicContact CB-CB 4.47Å; C345-D347 PolarHBondContact O-N 2.83Å; D347-S349 VanDerWaalsContact C-N 3.29Å; D347-S349 PolarHBondContact O-N 2.85Å
348	R	73.2	Confident	74.4	Confident	113 Å²	113	71.8 Å²	71.8	43%	0.426	37%	0.374	S	S	.	.			trans	53.7	42.5	-175.8	-157.3	-176.9	-171	165.7	6	113.3	K343 C345 D350 E351	K343-R348 HydrophobicContact CD-CB 4.13Å; K343-R348 HydrophobicContact CD-CG 4.36Å; K343-R348 HydrophobicContact CG-CB 4.16Å; K343-R348 HydrophobicContact CG-CG 4.12Å; C345-R348 PolarHBondContact O-N 3.02Å; R348-D350 WeakPolarHBondContact CA-OD1 3.28Å; R348-E351 HydrophobicContact CG-CB 3.95Å; R348-E351 IonicContact CZ-OE1 3.83Å; R348-E351 IonicContact CZ-OE2 3.1Å; R348-E351 IonicContact NE-OE1 2.71Å; R348-E351 IonicContact NE-OE2 2.66Å; R348-E351 PolarHBondContact NE-OE2 3.35Å; R348-E351 IonicContact NH2-OE1 2.81Å; R348-E351 PolarHBondContact NH2-OE1 2.9Å; R348-E351 IonicContact NH2-OE2 2.83Å; R348-E351 PolarHBondContact NH2-OE2 2.91Å
349	S	76.5	Confident	74.4	Confident	10 Å²	10	74.2 Å²	74.2	7%	0.07	39%	0.387	C	S	.	.			trans	-88.2	-14.9	-179.3	-66.3	0	0	0	0	114.3	K328 D347 I377	K328-S349 WeakPolarHBondContact CB-OG 3.36Å; K328-S349 WeakPolarHBondContact CG-OG 3.44Å; D347-S349 VanDerWaalsContact C-N 3.29Å; D347-S349 PolarHBondContact O-N 2.85Å; S349-I377 WeakPolarHBondContact O-CD1 3.19Å
350	D	74.6	Confident	75	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.384	C	S	.	.	S	Bend	trans	-70.9	-27.9	166	47.5	-5.7	0	0	0	114.1	I333 C339 D344 C345 R348 P352	I333-D350 HydrophobicContact CD1-CB 3.87Å; C339-D350 PolarHBondContact N-O 2.96Å; D344-D350 WeakPolarHBondContact CA-OD2 3.27Å; D344-D350 PolarHBondContact N-OD2 3.26Å; C345-D350 HydrophobicContact CB-CB 4.25Å; C345-D350 PolarHBondContact N-OD2 3.5Å; R348-D350 WeakPolarHBondContact CA-OD1 3.28Å; D350-P352 WeakPolarHBondContact O-CD 3.37Å
351	E	79.1	Confident	75.3	Confident	20 Å²	20	72.2 Å²	72.2	9%	0.093	38%	0.375	C	S	.	.			trans	-122.1	61	-179.7	-55.5	-179.8	81.9	0	0	113.9	S341 V342 R348 K353	S341-E351 WeakPolarHBondContact CA-OE1 3.29Å; V342-E351 VanDerWaalsContact O-CG 3.24Å; V342-E351 WeakPolarHBondContact O-CG 3.28Å; R348-E351 HydrophobicContact CG-CB 3.95Å; R348-E351 IonicContact CZ-OE1 3.83Å; R348-E351 IonicContact CZ-OE2 3.1Å; R348-E351 IonicContact NE-OE1 2.71Å; R348-E351 IonicContact NE-OE2 2.66Å; R348-E351 PolarHBondContact NE-OE2 3.35Å; R348-E351 IonicContact NH2-OE1 2.81Å; R348-E351 PolarHBondContact NH2-OE1 2.9Å; R348-E351 IonicContact NH2-OE2 2.83Å; R348-E351 PolarHBondContact NH2-OE2 2.91Å; E351-K353 PolarHBondContact O-N 3.05Å
352	P	74.5	Confident	75.9	Confident	27 Å²	27	75 Å²	75	18%	0.175	38%	0.378	C	S	.	.			trans	-69	103.7	174.9	28.5	-32.3	0	0	0	110.6	D350 K354 E355 C356 I377	D350-P352 WeakPolarHBondContact O-CD 3.37Å; P352-K354 PolarHBondContact O-N 2.92Å; P352-E355 PolarHBondContact O-N 2.86Å; P352-E355 VanDerWaalsContact O-N 3.08Å; P352-C356 HydrophobicContact CG-CB 4.06Å; P352-C356 WeakPolarHBondContact O-CB 3.18Å; P352-C356 PolarHBondContact O-N 2.92Å; P352-I377 HydrophobicContact CG-CB 4.39Å; P352-I377 HydrophobicContact CG-CD1 3.75Å; P352-I377 HydrophobicContact CG-CG1 3.75Å; P352-I377 HydrophobicContact CG-CG2 3.73Å
353	K	66.6	Low	75.9	Confident	195 Å²	195	77.5 Å²	77.5	85%	0.848	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45	-1.6	-176.8	-77.4	-169.1	173.7	-173.4	0	119.4	E351	E351-K353 PolarHBondContact O-N 3.05Å
354	K	66.3	Low	76.2	Confident	160 Å²	160	78.6 Å²	78.6	70%	0.696	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	-17.7	-171.6	-161	-168.4	167.2	-145.3	0	113.8	P352 L358	P352-K354 PolarHBondContact O-N 2.92Å; K354-L358 VanDerWaalsContact O-CD1 3.32Å; K354-L358 WeakPolarHBondContact O-CD1 2.99Å
355	E	66.8	Low	76.4	Confident	92 Å²	92	78.6 Å²	78.6	43%	0.43	40%	0.399	S	S	.	.	S	Bend	trans	-143.9	27.7	-164.4	-74.1	149.4	-150.2	0	0	110.2	P352 I377 G378	P352-E355 PolarHBondContact O-N 2.86Å; P352-E355 VanDerWaalsContact O-N 3.08Å; E355-I377 CarbonylContact O-C 3.59Å; E355-I377 VanDerWaalsContact O-CA 3.24Å; E355-I377 WeakPolarHBondContact O-CA 2.9Å; E355-G378 PolarHBondContact O-N 3.44Å
356	C	74.8	Confident	76.6	Confident	28 Å²	28	79 Å²	79	19%	0.189	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-127.3	119.1	-169.3	173.7	0	0	0	0	107.8	C339 P352 L358	C339-C356 VanDerWaalsContact CA-SG 3.54Å; C339-C356 HydrophobicContact CB-CB 4.23Å; C339-C356 WeakPolarHBondContact CB-SG 3.32Å; C339-C356 WeakPolarHBondContact SG-CA 3.04Å; C339-C356 WeakPolarHBondContact SG-CB 3.2Å; C339-C356 CovalentContact SG-SG 2.03Å; C339-C356 PolarHBondContact SG-SG 3.28Å; P352-C356 HydrophobicContact CG-CB 4.06Å; P352-C356 WeakPolarHBondContact O-CB 3.18Å; P352-C356 PolarHBondContact O-N 2.92Å; C356-L358 PolarHBondContact O-N 2.85Å
357	G	70.2	Confident	76.9	Confident	63 Å²	63	74 Å²	74	65%	0.649	39%	0.391	S	S	*	.	S	Bend	trans	65.7	17.5	178.2	0	0	0	0	0	114.4	C339 P376	C339-G357 PolarHBondContact SG-N 2.82Å; G357-P376 PolarHBondContact N-O 3.46Å
358	L	75.4	Confident	77.5	Confident	95 Å²	95	69.5 Å²	69.5	50%	0.497	37%	0.368	S	S	.	.			trans	-99.9	122.5	170.3	-63.8	179.8	0	0	0	107.9	K354 C356 E360	K354-L358 VanDerWaalsContact O-CD1 3.32Å; K354-L358 WeakPolarHBondContact O-CD1 2.99Å; C356-L358 PolarHBondContact O-N 2.85Å; L358-E360 PolarHBondContact O-N 2.91Å; L358-E360 VanDerWaalsContact O-N 3.14Å
359	N	77.9	Confident	78.1	Confident	65 Å²	65	66.9 Å²	66.9	35%	0.348	37%	0.367	S	S	.	.			trans	-81.5	94.4	172.8	-173.1	-62.2	0	0	0	109.9	C361 M362 D374	N359-C361 PolarHBondContact O-N 3.17Å; N359-C361 WeakPolarHBondContact OD1-CA 3.23Å; N359-C361 WeakPolarHBondContact OD1-CB 3.41Å; N359-C361 PolarHBondContact OD1-N 2.82Å; N359-C361 VanDerWaalsContact OD1-N 3.16Å; N359-M362 HydrophobicContact CB-CG 4.25Å; N359-M362 PolarHBondContact O-N 2.87Å; N359-M362 WeakPolarHBondContact OD1-CG 3.38Å; N359-M362 PolarHBondContact OD1-N 3.05Å; N359-D374 VanDerWaalsContact CA-OD1 3.28Å; N359-D374 WeakPolarHBondContact CA-OD1 3.19Å; N359-D374 WeakPolarHBondContact CB-OD2 3.3Å; N359-D374 VanDerWaalsContact CG-CG 3.47Å; N359-D374 WeakPolarHBondContact ND2-CB 3.25Å; N359-D374 PolarHBondContact ND2-OD2 2.82Å
360	E	84.2	Confident	78.6	Confident	34 Å²	34	70.2 Å²	70.2	16%	0.159	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-70.5	-20.8	178.5	-71.7	102.2	-164.8	0	0	112.8	L358 M362 I363 G366 G378 F379	L358-E360 PolarHBondContact O-N 2.91Å; L358-E360 VanDerWaalsContact O-N 3.14Å; E360-M362 VanDerWaalsContact C-N 3.26Å; E360-M362 PolarHBondContact O-N 3.11Å; E360-I363 CarbonylContact O-C 3.48Å; E360-I363 WeakPolarHBondContact O-CA 3.31Å; E360-I363 PolarHBondContact O-N 2.96Å; E360-G366 PolarHBondContact O-N 3.35Å; E360-G378 VanDerWaalsContact OE2-C 3.3Å; E360-G378 VanDerWaalsContact OE2-CA 3.24Å; E360-G378 WeakPolarHBondContact OE2-CA 2.99Å; E360-F379 HydrophobicContact CB-CB 4.38Å; E360-F379 HydrophobicContact CB-CD1 3.44Å; E360-F379 VanDerWaalsContact CB-CD1 3.44Å; E360-F379 HydrophobicContact CB-CE1 3.97Å; E360-F379 HydrophobicContact CB-CG 4.05Å; E360-F379 HydrophobicContact CG-CD1 3.99Å; E360-F379 HydrophobicContact CG-CE1 4.37Å; E360-F379 WeakPolarHBondContact OE2-CD1 3.37Å
361	C	85.1	Confident	79.2	Confident	20 Å²	20	73.5 Å²	73.5	14%	0.135	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-62.6	-31.6	174.5	-59.5	0	0	0	0	112.6	N359 I363 N365 C372	N359-C361 PolarHBondContact O-N 3.17Å; N359-C361 WeakPolarHBondContact OD1-CA 3.23Å; N359-C361 WeakPolarHBondContact OD1-CB 3.41Å; N359-C361 PolarHBondContact OD1-N 2.82Å; N359-C361 VanDerWaalsContact OD1-N 3.16Å; C361-I363 PolarHBondContact O-N 3.19Å; C361-N365 WeakPolarHBondContact O-CA 3.39Å; C361-N365 PolarHBondContact O-N 3.47Å; C361-C372 WeakPolarHBondContact CA-SG 3.36Å; C361-C372 HydrophobicContact CB-CB 3.62Å; C361-C372 WeakPolarHBondContact CB-SG 3.4Å; C361-C372 WeakPolarHBondContact SG-CB 3.37Å; C361-C372 CovalentContact SG-SG 2.03Å; C361-C372 PolarHBondContact SG-SG 2.84Å
362	M	83.7	Confident	79.7	Confident	162 Å²	162	73.5 Å²	73.5	80%	0.798	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66.1	-13.8	171.8	-66.5	-57.3	-71.3	0	0	113.4	N359 E360	N359-M362 HydrophobicContact CB-CG 4.25Å; N359-M362 PolarHBondContact O-N 2.87Å; N359-M362 WeakPolarHBondContact OD1-CG 3.38Å; N359-M362 PolarHBondContact OD1-N 3.05Å; E360-M362 VanDerWaalsContact C-N 3.26Å; E360-M362 PolarHBondContact O-N 3.11Å
363	I	79.9	Confident	80.1	Confident	126 Å²	126	76.2 Å²	76.2	65%	0.646	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	93.9	-179.4	-54.4	178.8	0	0	0	109.1	E360 C361 N365 G366	E360-I363 CarbonylContact O-C 3.48Å; E360-I363 WeakPolarHBondContact O-CA 3.31Å; E360-I363 PolarHBondContact O-N 2.96Å; C361-I363 PolarHBondContact O-N 3.19Å; I363-N365 PolarHBondContact O-N 3.32Å; I363-G366 PolarHBondContact O-N 3.09Å
364	N	83.3	Confident	80.8	Confident	141 Å²	141	70.3 Å²	70.3	75%	0.754	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	53.6	38.6	179.4	-167.8	62.9	0	0	0	112.9	G366 G367	N364-G366 PolarHBondContact O-N 3.29Å; N364-G367 WeakPolarHBondContact O-CA 3.39Å; N364-G367 PolarHBondContact O-N 2.9Å
365	N	82.9	Confident	81.4	Confident	57 Å²	57	68.8 Å²	68.8	31%	0.305	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	58.1	28.6	-177.4	-156.4	36.7	0	0	0	113.6	C361 I363 G367 C368 H370 C372	C361-N365 WeakPolarHBondContact O-CA 3.39Å; C361-N365 PolarHBondContact O-N 3.47Å; I363-N365 PolarHBondContact O-N 3.32Å; N365-G367 PolarHBondContact O-N 2.79Å; N365-G367 VanDerWaalsContact O-N 3.07Å; N365-C368 PolarHBondContact ND2-O 3.38Å; N365-C368 WeakPolarHBondContact O-CA 3.24Å; N365-C368 WeakPolarHBondContact O-CB 3.33Å; N365-C368 PolarHBondContact O-N 3.48Å; N365-C368 PolarHBondContact O-SG 2.78Å; N365-H370 PolarHBondContact ND2-O 2.92Å; N365-C372 WeakPolarHBondContact O-CB 3.3Å; N365-C372 WeakPolarHBondContact OD1-CB 3.42Å
366	G	81.6	Confident	81.8	Confident	10 Å²	10	67.7 Å²	67.7	10%	0.103	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	66	3.9	-169.2	0	0	0	0	0	114.4	E360 I363 N364 C368 F379 K393	E360-G366 PolarHBondContact O-N 3.35Å; I363-G366 PolarHBondContact O-N 3.09Å; N364-G366 PolarHBondContact O-N 3.29Å; G366-C368 VanDerWaalsContact C-N 3.28Å; G366-F379 VanDerWaalsContact O-CE2 3.25Å; G366-F379 WeakPolarHBondContact O-CE2 3.24Å; G366-F379 WeakPolarHBondContact O-CZ 3.26Å; G366-K393 PolarHBondContact O-NZ 3.45Å
367	G	83.8	Confident	81.8	Confident	33 Å²	33	68.4 Å²	68.4	34%	0.34	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	76.1	11.2	-162.1	0	0	0	0	0	114	N364 N365	N364-G367 WeakPolarHBondContact O-CA 3.39Å; N364-G367 PolarHBondContact O-N 2.9Å; N365-G367 PolarHBondContact O-N 2.79Å; N365-G367 VanDerWaalsContact O-N 3.07Å
368	C	87	Confident	82.2	Confident	9 Å²	9	66.3 Å²	66.3	6%	0.061	36%	0.362	C	S	.	.			trans	-69.7	141.6	170	-53.3	0	0	0	0	110.6	N365 G366 C372 C381	N365-C368 PolarHBondContact ND2-O 3.38Å; N365-C368 WeakPolarHBondContact O-CA 3.24Å; N365-C368 WeakPolarHBondContact O-CB 3.33Å; N365-C368 PolarHBondContact O-N 3.48Å; N365-C368 PolarHBondContact O-SG 2.78Å; G366-C368 VanDerWaalsContact C-N 3.28Å; C368-C372 HydrophobicContact CB-CB 4.02Å; C368-C372 VanDerWaalsContact SG-SG 3.67Å; C368-C381 WeakPolarHBondContact CA-SG 3.16Å; C368-C381 HydrophobicContact CB-CB 3.61Å; C368-C381 WeakPolarHBondContact CB-SG 3.21Å; C368-C381 WeakPolarHBondContact SG-CA 3.45Å; C368-C381 WeakPolarHBondContact SG-CB 3.34Å; C368-C381 CovalentContact SG-SG 2.02Å; C368-C381 PolarHBondContact SG-SG 3.44Å
369	S	86.8	Confident	82.6	Confident	58 Å²	58	64.6 Å²	64.6	41%	0.406	35%	0.351	S	S	.	.	S	Bend	trans	-75.4	-32.3	-179.6	57.3	0	0	0	0	114.2	K393 T394 C395	S369-K393 WeakPolarHBondContact CB-O 3.49Å; S369-K393 PolarHBondContact N-O 2.79Å; S369-K393 PolarHBondContact OG-O 2.89Å; S369-T394 WeakPolarHBondContact OG-CA 3.31Å; S369-C395 PolarHBondContact OG-N 2.79Å
370	H	86.6	Confident	83	Confident	80 Å²	80	64 Å²	64	37%	0.37	35%	0.346	S	S	.	.	S	Bend	trans	-127.7	-92.7	-176.2	-64.7	77.4	0	0	0	110.8	N365 C395	N365-H370 PolarHBondContact ND2-O 2.92Å; H370-C395 WeakPolarHBondContact ND1-CB 3.35Å
371	V	87.9	Confident	83.1	Confident	68 Å²	68	62.8 Å²	62.8	41%	0.412	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.3	-179.3	-171.6	0	0	0	0	109.8	M373 C381 Q382	V371-M373 HydrophobicContact CG1-CG 4.36Å; V371-C381 WeakPolarHBondContact O-CA 3.48Å; V371-Q382 HydrophobicContact CB-CB 4.28Å; V371-Q382 WeakPolarHBondContact CB-O 3.26Å; V371-Q382 PolarHBondContact N-O 2.86Å; V371-Q382 VanDerWaalsContact N-O 3.15Å; V371-Q382 PolarHBondContact O-N 3.18Å
372	C	88.4	Confident	83.2	Confident	20 Å²	20	65.7 Å²	65.7	14%	0.135	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.1	166.5	-175.4	0	0	0	0	108.3	C361 N365 C368	C361-C372 WeakPolarHBondContact CA-SG 3.36Å; C361-C372 HydrophobicContact CB-CB 3.62Å; C361-C372 WeakPolarHBondContact CB-SG 3.4Å; C361-C372 WeakPolarHBondContact SG-CB 3.37Å; C361-C372 CovalentContact SG-SG 2.03Å; C361-C372 PolarHBondContact SG-SG 2.84Å; N365-C372 WeakPolarHBondContact O-CB 3.3Å; N365-C372 WeakPolarHBondContact OD1-CB 3.42Å; C368-C372 HydrophobicContact CB-CB 4.02Å; C368-C372 VanDerWaalsContact SG-SG 3.67Å
373	M	83.5	Confident	83.5	Confident	84 Å²	84	59.4 Å²	59.4	41%	0.414	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.1	173.8	-82.5	-169.3	55.2	0	0	110.2	V371 F379 E380 Q382	V371-M373 HydrophobicContact CG1-CG 4.36Å; M373-F379 WeakPolarHBondContact O-CA 3.49Å; M373-E380 HydrophobicContact CB-CG 3.95Å; M373-E380 PolarHBondContact N-O 3.18Å; M373-E380 PolarHBondContact O-N 3.01Å; M373-Q382 HydrophobicContact SD-CG 4.3Å; M373-Q382 PolarHBondContact SD-NE2 2.94Å; M373-Q382 PolarHBondContact SD-OE1 2.98Å
374	D	81.9	Confident	83.8	Confident	71 Å²	71	55.9 Å²	55.9	38%	0.38	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.2	176.9	-157.6	42.7	0	0	0	110.4	N359	N359-D374 VanDerWaalsContact CA-OD1 3.28Å; N359-D374 WeakPolarHBondContact CA-OD1 3.19Å; N359-D374 WeakPolarHBondContact CB-OD2 3.3Å; N359-D374 VanDerWaalsContact CG-CG 3.47Å; N359-D374 WeakPolarHBondContact ND2-CB 3.25Å; N359-D374 PolarHBondContact ND2-OD2 2.82Å
375	R	78.3	Confident	84	Confident	128 Å²	128	56 Å²	56	48%	0.483	32%	0.316	S	S	.	.			trans	-119.4	160.4	173.4	-67.2	-178.6	167.6	-82.7	-1.3	109.2	I377 G378 E380	R375-I377 PolarHBondContact O-N 2.93Å; R375-I377 VanDerWaalsContact O-N 3.08Å; R375-G378 CarbonylContact C-O 3.52Å; R375-G378 WeakPolarHBondContact CA-O 3.22Å; R375-G378 WeakPolarHBondContact CB-O 3.36Å; R375-G378 PolarHBondContact N-O 2.84Å; R375-E380 IonicContact CZ-OE1 2.77Å; R375-E380 IonicContact CZ-OE2 2.77Å; R375-E380 VanDerWaalsContact NE-CD 3.27Å; R375-E380 IonicContact NE-OE1 2.64Å; R375-E380 IonicContact NE-OE2 2.66Å; R375-E380 PolarHBondContact NE-OE2 2.78Å; R375-E380 IonicContact NH2-OE1 2.82Å; R375-E380 PolarHBondContact NH2-OE1 2.91Å; R375-E380 VanDerWaalsContact NH2-OE1 3.1Å; R375-E380 IonicContact NH2-OE2 3.94Å; R375-E380 PolarHBondContact NH2-OE2 3.05Å
376	P	74.9	Confident	84.1	Confident	69 Å²	69	53.5 Å²	53.5	45%	0.448	30%	0.304	S	S	.	.	S	Bend	trans	-58.1	-24.5	177.1	-27.5	36.5	0	0	0	114.3	V338 G357	V338-P376 HydrophobicContact CB-CB 4Å; V338-P376 HydrophobicContact CG1-CB 3.78Å; G357-P376 PolarHBondContact N-O 3.46Å
377	I	73.6	Confident	84.4	Confident	44 Å²	44	55.1 Å²	55.1	23%	0.226	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-128.7	117	166.6	-66.5	166.9	0	0	0	108.3	F325 V338 S349 P352 E355 R375	F325-I377 HydrophobicContact CE1-CD1 4.44Å; F325-I377 HydrophobicContact CE2-CD1 3.93Å; F325-I377 HydrophobicContact CZ-CD1 3.61Å; V338-I377 HydrophobicContact CG1-CD1 3.45Å; V338-I377 VanDerWaalsContact CG1-CD1 3.45Å; V338-I377 HydrophobicContact CG1-CG1 3.69Å; S349-I377 WeakPolarHBondContact O-CD1 3.19Å; P352-I377 HydrophobicContact CG-CB 4.39Å; P352-I377 HydrophobicContact CG-CD1 3.75Å; P352-I377 HydrophobicContact CG-CG1 3.75Å; P352-I377 HydrophobicContact CG-CG2 3.73Å; E355-I377 CarbonylContact O-C 3.59Å; E355-I377 VanDerWaalsContact O-CA 3.24Å; E355-I377 WeakPolarHBondContact O-CA 2.9Å; R375-I377 PolarHBondContact O-N 2.93Å; R375-I377 VanDerWaalsContact O-N 3.08Å
378	G	79.8	Confident	84.6	Confident	18 Å²	18	58.4 Å²	58.4	19%	0.186	31%	0.314	C	S	.	.	S	Bend	trans	65.5	-167.6	-178.9	0	0	0	0	0	114.8	E355 E360 R375	E355-G378 PolarHBondContact O-N 3.44Å; E360-G378 VanDerWaalsContact OE2-C 3.3Å; E360-G378 VanDerWaalsContact OE2-CA 3.24Å; E360-G378 WeakPolarHBondContact OE2-CA 2.99Å; R375-G378 CarbonylContact C-O 3.52Å; R375-G378 WeakPolarHBondContact CA-O 3.22Å; R375-G378 WeakPolarHBondContact CB-O 3.36Å; R375-G378 PolarHBondContact N-O 2.84Å
379	F	83.3	Confident	84.7	Confident	60 Å²	60	61.4 Å²	61.4	26%	0.263	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	162.7	178.4	69.3	-77.6	0	0	0	111	E360 G366 M373	E360-F379 HydrophobicContact CB-CB 4.38Å; E360-F379 HydrophobicContact CB-CD1 3.44Å; E360-F379 VanDerWaalsContact CB-CD1 3.44Å; E360-F379 HydrophobicContact CB-CE1 3.97Å; E360-F379 HydrophobicContact CB-CG 4.05Å; E360-F379 HydrophobicContact CG-CD1 3.99Å; E360-F379 HydrophobicContact CG-CE1 4.37Å; E360-F379 WeakPolarHBondContact OE2-CD1 3.37Å; G366-F379 VanDerWaalsContact O-CE2 3.25Å; G366-F379 WeakPolarHBondContact O-CE2 3.24Å; G366-F379 WeakPolarHBondContact O-CZ 3.26Å; M373-F379 WeakPolarHBondContact O-CA 3.49Å
380	E	86	Confident	84.6	Confident	52 Å²	52	63.7 Å²	63.7	24%	0.243	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.4	166.2	71.8	-174.6	-169	0	0	111.6	M373 R375 Q382	M373-E380 HydrophobicContact CB-CG 3.95Å; M373-E380 PolarHBondContact N-O 3.18Å; M373-E380 PolarHBondContact O-N 3.01Å; R375-E380 IonicContact CZ-OE1 2.77Å; R375-E380 IonicContact CZ-OE2 2.77Å; R375-E380 VanDerWaalsContact NE-CD 3.27Å; R375-E380 IonicContact NE-OE1 2.64Å; R375-E380 IonicContact NE-OE2 2.66Å; R375-E380 PolarHBondContact NE-OE2 2.78Å; R375-E380 IonicContact NH2-OE1 2.82Å; R375-E380 PolarHBondContact NH2-OE1 2.91Å; R375-E380 VanDerWaalsContact NH2-OE1 3.1Å; R375-E380 IonicContact NH2-OE2 3.94Å; R375-E380 PolarHBondContact NH2-OE2 3.05Å; E380-Q382 HydrophobicContact CG-CG 4.34Å; E380-Q382 PolarHBondContact OE1-NE2 2.87Å
381	C	87.8	Confident	84.4	Confident	9 Å²	9	65.7 Å²	65.7	6%	0.061	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.9	171.8	-55.9	0	0	0	0	109.1	C368 V371 L389 K392	C368-C381 WeakPolarHBondContact CA-SG 3.16Å; C368-C381 HydrophobicContact CB-CB 3.61Å; C368-C381 WeakPolarHBondContact CB-SG 3.21Å; C368-C381 WeakPolarHBondContact SG-CA 3.45Å; C368-C381 WeakPolarHBondContact SG-CB 3.34Å; C368-C381 CovalentContact SG-SG 2.02Å; C368-C381 PolarHBondContact SG-SG 3.44Å; V371-C381 WeakPolarHBondContact O-CA 3.48Å; C381-L389 HydrophobicContact CB-CD1 3.87Å; C381-L389 VanDerWaalsContact O-CD2 3.28Å; C381-L389 WeakPolarHBondContact O-CD2 3.23Å; C381-K392 WeakPolarHBondContact CB-O 3.07Å; C381-K392 PolarHBondContact SG-O 3.14Å
382	Q	86.9	Confident	83.9	Confident	80 Å²	80	70.6 Å²	70.6	37%	0.374	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.3	172.8	-65.2	-164.5	4.1	0	0	110.4	V371 M373 E380	V371-Q382 HydrophobicContact CB-CB 4.28Å; V371-Q382 WeakPolarHBondContact CB-O 3.26Å; V371-Q382 PolarHBondContact N-O 2.86Å; V371-Q382 VanDerWaalsContact N-O 3.15Å; V371-Q382 PolarHBondContact O-N 3.18Å; M373-Q382 HydrophobicContact SD-CG 4.3Å; M373-Q382 PolarHBondContact SD-NE2 2.94Å; M373-Q382 PolarHBondContact SD-OE1 2.98Å; E380-Q382 HydrophobicContact CG-CG 4.34Å; E380-Q382 PolarHBondContact OE1-NE2 2.87Å
383	C	88.9	Confident	83.5	Confident	30 Å²	30	73.8 Å²	73.8	20%	0.203	38%	0.376	C	S	.	.			trans	-109.1	147.9	179	-59.3	0	0	0	0	110	Y387 L389 C395	C383-Y387 VanDerWaalsContact CB-O 3.26Å; C383-Y387 WeakPolarHBondContact CB-O 3.23Å; C383-L389 VanDerWaalsContact SG-CD1 3.52Å; C383-C395 WeakPolarHBondContact CA-SG 3.34Å; C383-C395 HydrophobicContact CB-CB 3.85Å; C383-C395 WeakPolarHBondContact CB-SG 3.17Å; C383-C395 WeakPolarHBondContact SG-CB 3.39Å; C383-C395 CovalentContact SG-SG 2.04Å; C383-C395 PolarHBondContact SG-SG 2.96Å
384	P	87.6	Confident	83.7	Confident	53 Å²	53	72.4 Å²	72.4	34%	0.344	37%	0.373	S	S	.	.			trans	-66.3	164.7	168.7	28.9	-32.5	0	0	0	110.8	Y387	P384-Y387 HydrophobicContact CG-CD2 3.69Å; P384-Y387 HydrophobicContact CG-CE2 4.28Å; P384-Y387 HydrophobicContact CG-CG 4.19Å; P384-Y387 WeakPolarHBondContact O-CB 3.38Å; P384-Y387 PolarHBondContact O-N 2.76Å; P384-Y387 VanDerWaalsContact O-N 3.12Å
385	T	86.9	Confident	84	Confident	142 Å²	142	69.9 Å²	69.9	87%	0.871	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	141.5	172.6	-42.6	0	0	0	0	111.1	Y387	T385-Y387 VanDerWaalsContact C-N 3.31Å
386	G	84.2	Confident	84.5	Confident	6 Å²	6	64.4 Å²	64.4	6%	0.062	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	2.6	-172.9	0	0	0	0	0	114.7	I398	G386-I398 PolarHBondContact O-N 2.96Å
387	Y	88.7	Confident	85.3	Confident	44 Å²	44	63.7 Å²	63.7	17%	0.173	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.3	-179.4	-67.6	-97.1	0	0	0	112.6	C383 P384 T385 C395 G396 K415	C383-Y387 VanDerWaalsContact CB-O 3.26Å; C383-Y387 WeakPolarHBondContact CB-O 3.23Å; P384-Y387 HydrophobicContact CG-CD2 3.69Å; P384-Y387 HydrophobicContact CG-CE2 4.28Å; P384-Y387 HydrophobicContact CG-CG 4.19Å; P384-Y387 WeakPolarHBondContact O-CB 3.38Å; P384-Y387 PolarHBondContact O-N 2.76Å; P384-Y387 VanDerWaalsContact O-N 3.12Å; T385-Y387 VanDerWaalsContact C-N 3.31Å; Y387-C395 HydrophobicContact CD1-CB 4.46Å; Y387-G396 CarbonylContact C-O 3.59Å; Y387-G396 VanDerWaalsContact CA-O 3.26Å; Y387-G396 WeakPolarHBondContact CA-O 3.34Å; Y387-G396 WeakPolarHBondContact CB-O 3.35Å; Y387-G396 WeakPolarHBondContact CD1-O 3.45Å; Y387-K415 HydrophobicContact CE1-CG 4.33Å; Y387-K415 WeakPolarHBondContact OH-CE 3.35Å; Y387-K415 PolarHBondContact OH-O 3.34Å
388	Q	88.3	Confident	86	Confident	102 Å²	102	64.1 Å²	64.1	48%	0.477	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.4	-179.6	57	177.1	-24.4	0	0	112.4	L390 C395 G396 D397 I398	Q388-L390 PolarHBondContact O-N 3.25Å; Q388-C395 CarbonylContact O-C 3.59Å; Q388-C395 VanDerWaalsContact O-CA 3.27Å; Q388-C395 WeakPolarHBondContact O-CA 3.29Å; Q388-G396 PolarHBondContact N-O 3.16Å; Q388-G396 PolarHBondContact O-N 2.8Å; Q388-D397 PolarHBondContact NE2-O 2.78Å; Q388-D397 VanDerWaalsContact NE2-O 3.17Å; Q388-I398 HydrophobicContact CB-CD1 4.34Å; Q388-I398 HydrophobicContact CB-CG1 3.8Å; Q388-I398 HydrophobicContact CG-CG1 3.83Å
389	L	88.3	Confident	86.4	Confident	71 Å²	71	66 Å²	66	37%	0.372	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	105.6	-170.6	-165	74.7	0	0	0	111.4	C381 C383 T394	C381-L389 HydrophobicContact CB-CD1 3.87Å; C381-L389 VanDerWaalsContact O-CD2 3.28Å; C381-L389 WeakPolarHBondContact O-CD2 3.23Å; C383-L389 VanDerWaalsContact SG-CD1 3.52Å; L389-T394 CarbonylContact C-O 3.59Å
390	L	84.8	Confident	86.7	Confident	106 Å²	106	64.8 Å²	64.8	56%	0.555	34%	0.34	S	S	*	.	S	Bend	trans	-75	-76.8	-176.8	-60.2	173.9	0	0	0	111.6	Q388 K392 T394	Q388-L390 PolarHBondContact O-N 3.25Å; L390-K392 VanDerWaalsContact C-N 3.27Å; L390-K392 PolarHBondContact O-N 3.49Å; L390-T394 PolarHBondContact N-O 2.86Å
391	D	82.2	Confident	86.7	Confident	122 Å²	122	64.4 Å²	64.4	65%	0.652	34%	0.342	S	S	*	.	S	Bend	trans	-93.6	35.2	-173.4	-51.2	-72.1	0	0	0	112.5	K393 T394	D391-K393 PolarHBondContact O-N 2.94Å; D391-T394 VanDerWaalsContact CB-OG1 3.23Å; D391-T394 WeakPolarHBondContact CB-OG1 3.05Å; D391-T394 VanDerWaalsContact CG-OG1 3.31Å; D391-T394 PolarHBondContact N-OG1 3.12Å; D391-T394 PolarHBondContact OD2-OG1 3.46Å
392	K	76.8	Confident	86.4	Confident	172 Å²	172	71.2 Å²	71.2	75%	0.748	37%	0.373	S	S	*	.	S	Bend	trans	56.2	10.5	-168.8	-59.6	-177.8	177.6	-179	0	115	C381 L390	C381-K392 WeakPolarHBondContact CB-O 3.07Å; C381-K392 PolarHBondContact SG-O 3.14Å; L390-K392 VanDerWaalsContact C-N 3.27Å; L390-K392 PolarHBondContact O-N 3.49Å
393	K	81.7	Confident	85.9	Confident	86 Å²	86	71.4 Å²	71.4	37%	0.374	38%	0.377	S	S	.	.	S	Bend	trans	-147.1	-44.3	-175.8	-64.3	-160.5	173.8	-154.1	0	113.6	G366 S369 D391	G366-K393 PolarHBondContact O-NZ 3.45Å; S369-K393 WeakPolarHBondContact CB-O 3.49Å; S369-K393 PolarHBondContact N-O 2.79Å; S369-K393 PolarHBondContact OG-O 2.89Å; D391-K393 PolarHBondContact O-N 2.94Å
394	T	86.9	Confident	84.9	Confident	55 Å²	55	73 Å²	73	34%	0.337	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-78	131.8	173.5	39.8	0	0	0	0	109.8	S369 L389 L390 D391	S369-T394 WeakPolarHBondContact OG-CA 3.31Å; L389-T394 CarbonylContact C-O 3.59Å; L390-T394 PolarHBondContact N-O 2.86Å; D391-T394 VanDerWaalsContact CB-OG1 3.23Å; D391-T394 WeakPolarHBondContact CB-OG1 3.05Å; D391-T394 VanDerWaalsContact CG-OG1 3.31Å; D391-T394 PolarHBondContact N-OG1 3.12Å; D391-T394 PolarHBondContact OD2-OG1 3.46Å
395	C	88.6	Confident	84	Confident	19 Å²	19	73 Å²	73	13%	0.128	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.9	169.1	-61.7	0	0	0	0	108.4	S369 H370 C383 Y387 Q388	S369-C395 PolarHBondContact OG-N 2.79Å; H370-C395 WeakPolarHBondContact ND1-CB 3.35Å; C383-C395 WeakPolarHBondContact CA-SG 3.34Å; C383-C395 HydrophobicContact CB-CB 3.85Å; C383-C395 WeakPolarHBondContact CB-SG 3.17Å; C383-C395 WeakPolarHBondContact SG-CB 3.39Å; C383-C395 CovalentContact SG-SG 2.04Å; C383-C395 PolarHBondContact SG-SG 2.96Å; Y387-C395 HydrophobicContact CD1-CB 4.46Å; Q388-C395 CarbonylContact O-C 3.59Å; Q388-C395 VanDerWaalsContact O-CA 3.27Å; Q388-C395 WeakPolarHBondContact O-CA 3.29Å
396	G	88.4	Confident	83.6	Confident	13 Å²	13	67.2 Å²	67.2	13%	0.134	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	163	165.8	0	0	0	0	0	110.6	Y387 Q388	Y387-G396 CarbonylContact C-O 3.59Å; Y387-G396 VanDerWaalsContact CA-O 3.26Å; Y387-G396 WeakPolarHBondContact CA-O 3.34Å; Y387-G396 WeakPolarHBondContact CB-O 3.35Å; Y387-G396 WeakPolarHBondContact CD1-O 3.45Å; Q388-G396 PolarHBondContact N-O 3.16Å; Q388-G396 PolarHBondContact O-N 2.8Å
397	D	90.9	Very high	83.5	Confident	53 Å²	53	67.5 Å²	67.5	28%	0.283	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	145	162.7	-121.4	19.8	0	0	0	109.8	Q388 N413 K415 G416	Q388-D397 PolarHBondContact NE2-O 2.78Å; Q388-D397 VanDerWaalsContact NE2-O 3.17Å; D397-N413 PolarHBondContact OD2-ND2 2.85Å; D397-K415 VanDerWaalsContact OD1-CA 3.23Å; D397-K415 WeakPolarHBondContact OD1-CA 3.09Å; D397-K415 WeakPolarHBondContact OD1-CG 3.36Å; D397-G416 PolarHBondContact OD1-N 2.97Å
398	I	89.6	Confident	83.1	Confident	54 Å²	54	65.7 Å²	65.7	28%	0.277	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-80.1	143.2	148.5	-60.9	173.2	0	0	0	105.9	G386 Q388 E400 N413	G386-I398 PolarHBondContact O-N 2.96Å; Q388-I398 HydrophobicContact CB-CD1 4.34Å; Q388-I398 HydrophobicContact CB-CG1 3.8Å; Q388-I398 HydrophobicContact CG-CG1 3.83Å; I398-E400 VanDerWaalsContact CG2-CD 3.49Å; I398-E400 HydrophobicContact CG2-CG 3.91Å; I398-E400 WeakPolarHBondContact CG2-OE1 3.21Å; I398-N413 PolarHBondContact O-ND2 2.82Å; I398-N413 PolarHBondContact O-OD1 3.31Å
399	N	87.8	Confident	83	Confident	57 Å²	57	61.7 Å²	61.7	31%	0.305	33%	0.327	S	S	.	.			trans	-106.7	84	168.2	-177	8.7	0	0	0	106.9	C401 E402 N413	N399-C401 PolarHBondContact O-N 2.93Å; N399-E402 HydrophobicContact CB-CG 4.31Å; N399-E402 WeakPolarHBondContact ND2-CG 3.3Å; N399-E402 PolarHBondContact ND2-OE1 3.02Å; N399-E402 WeakPolarHBondContact O-CB 3.03Å; N399-E402 PolarHBondContact O-N 2.91Å; N399-N413 WeakPolarHBondContact CA-OD1 3.25Å; N399-N413 WeakPolarHBondContact OD1-CB 3.41Å; N399-N413 VanDerWaalsContact OD1-CG 3.29Å; N399-N413 PolarHBondContact OD1-OD1 3.37Å
400	E	88.8	Confident	83	Confident	35 Å²	35	60.6 Å²	60.6	16%	0.164	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-59.1	-23.6	-175.6	-75.5	84.8	177.2	0	0	112	I398 E402 N403 A406 N413 F418	I398-E400 VanDerWaalsContact CG2-CD 3.49Å; I398-E400 HydrophobicContact CG2-CG 3.91Å; I398-E400 WeakPolarHBondContact CG2-OE1 3.21Å; E400-E402 PolarHBondContact O-N 2.92Å; E400-N403 WeakPolarHBondContact O-CA 3.34Å; E400-N403 WeakPolarHBondContact O-CB 3.1Å; E400-N403 PolarHBondContact O-N 3.4Å; E400-A406 HydrophobicContact CB-CB 4.05Å; E400-A406 VanDerWaalsContact O-CB 3.26Å; E400-A406 WeakPolarHBondContact O-CB 3.22Å; E400-N413 PolarHBondContact N-OD1 2.89Å; E400-N413 VanDerWaalsContact N-OD1 3.16Å; E400-N413 PolarHBondContact OE2-OD1 2.87Å; E400-F418 HydrophobicContact CB-CB 4.06Å; E400-F418 HydrophobicContact CB-CD1 3.58Å; E400-F418 HydrophobicContact CB-CD2 4.36Å; E400-F418 HydrophobicContact CB-CE1 4.1Å; E400-F418 HydrophobicContact CB-CG 3.73Å; E400-F418 HydrophobicContact CG-CD1 3.48Å; E400-F418 VanDerWaalsContact CG-CD1 3.48Å; E400-F418 HydrophobicContact CG-CE1 3.81Å; E400-F418 HydrophobicContact CG-CG 4.17Å
401	C	85.8	Confident	83.2	Confident	43 Å²	43	57.4 Å²	57.4	29%	0.291	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-74	-5.6	175.8	-52.9	0	0	0	0	115.1	N399 C411 I412 N413	N399-C401 PolarHBondContact O-N 2.93Å; C401-C411 WeakPolarHBondContact CA-SG 3.26Å; C401-C411 HydrophobicContact CB-CB 3.72Å; C401-C411 WeakPolarHBondContact CB-SG 3.3Å; C401-C411 WeakPolarHBondContact SG-CB 3.43Å; C401-C411 CovalentContact SG-SG 2.04Å; C401-C411 PolarHBondContact SG-SG 2.02Å; C401-I412 VanDerWaalsContact SG-C 3.59Å; C401-I412 PolarHBondContact SG-N 3.2Å; C401-N413 PolarHBondContact SG-N 3.07Å
402	E	82.9	Confident	83.5	Confident	153 Å²	153	54 Å²	54	72%	0.715	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-75.1	-15.2	161.9	-80.2	165.4	-142.7	0	0	112.1	N399 E400	N399-E402 HydrophobicContact CB-CG 4.31Å; N399-E402 WeakPolarHBondContact ND2-CG 3.3Å; N399-E402 PolarHBondContact ND2-OE1 3.02Å; N399-E402 WeakPolarHBondContact O-CB 3.03Å; N399-E402 PolarHBondContact O-N 2.91Å; E400-E402 PolarHBondContact O-N 2.92Å
403	N	76.3	Confident	84.2	Confident	84 Å²	84	48 Å²	48	45%	0.449	26%	0.264	S	S	.	.	S	Bend	trans	-98	115.2	171.5	-178.4	7.2	0	0	0	110.8	E400 D405 A406	E400-N403 WeakPolarHBondContact O-CA 3.34Å; E400-N403 WeakPolarHBondContact O-CB 3.1Å; E400-N403 PolarHBondContact O-N 3.4Å; N403-D405 PolarHBondContact O-N 2.93Å; N403-D405 PolarHBondContact OD1-N 2.73Å; N403-A406 WeakPolarHBondContact O-CB 3.39Å; N403-A406 PolarHBondContact O-N 3.13Å
404	P	67.6	Low	84.6	Confident	62 Å²	62	49.8 Å²	49.8	40%	0.403	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.2	175.6	-24.3	35.1	0	0	0	115.5
405	D	68	Low	84.6	Confident	53 Å²	53	54.5 Å²	54.5	28%	0.283	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.9	174.7	-71.1	-46.8	0	0	0	115.2	N403 C407 R639 L677	N403-D405 PolarHBondContact O-N 2.93Å; N403-D405 PolarHBondContact OD1-N 2.73Å; D405-C407 VanDerWaalsContact C-N 3.31Å; D405-C407 PolarHBondContact O-N 2.95Å; D405-R639 IonicContact OD1-CZ 2.87Å; D405-R639 IonicContact OD1-NH1 3.53Å; D405-R639 PolarHBondContact OD1-NH1 2.89Å; D405-R639 IonicContact OD1-NH2 3.78Å; D405-R639 PolarHBondContact OD1-NH2 2.78Å; D405-R639 IonicContact OD2-CZ 3.23Å; D405-R639 IonicContact OD2-NE 3.03Å; D405-R639 IonicContact OD2-NH1 3.55Å; D405-R639 PolarHBondContact OD2-NH1 3.15Å; D405-R639 IonicContact OD2-NH2 3.01Å; D405-R639 PolarHBondContact OD2-NH2 3.27Å; D405-L677 WeakPolarHBondContact OD1-CA 3.46Å; D405-L677 WeakPolarHBondContact OD1-CB 3.47Å
406	A	78.5	Confident	84.5	Confident	22 Å²	22	54.5 Å²	54.5	18%	0.182	29%	0.288	C	S	.	.	S	Bend	trans	-62	-39.3	-178.3	0	0	0	0	0	112.4	E400 N403 F418 C420	E400-A406 HydrophobicContact CB-CB 4.05Å; E400-A406 VanDerWaalsContact O-CB 3.26Å; E400-A406 WeakPolarHBondContact O-CB 3.22Å; N403-A406 WeakPolarHBondContact O-CB 3.39Å; N403-A406 PolarHBondContact O-N 3.13Å; A406-F418 HydrophobicContact CB-CD2 4.22Å; A406-F418 HydrophobicContact CB-CE2 3.94Å; A406-F418 HydrophobicContact CB-CZ 4.38Å; A406-F418 VanDerWaalsContact O-CE2 3.3Å; A406-F418 WeakPolarHBondContact O-CE2 3.31Å; A406-C420 PolarHBondContact O-SG 2.89Å; A406-C420 VanDerWaalsContact O-SG 3.4Å
407	C	82.3	Confident	84.4	Confident	11 Å²	11	59.2 Å²	59.2	7%	0.074	31%	0.31	C	S	.	.			trans	-138.5	147.3	-177.2	-65.2	0	0	0	0	112.4	D405 Q409 I410 C411 C420	D405-C407 VanDerWaalsContact C-N 3.31Å; D405-C407 PolarHBondContact O-N 2.95Å; C407-Q409 VanDerWaalsContact C-N 3.27Å; C407-Q409 PolarHBondContact O-N 2.8Å; C407-I410 WeakPolarHBondContact CB-O 3.03Å; C407-C411 HydrophobicContact CB-CB 3.95Å; C407-C420 WeakPolarHBondContact CA-SG 3.45Å; C407-C420 HydrophobicContact CB-CB 3.71Å; C407-C420 WeakPolarHBondContact CB-SG 3.3Å; C407-C420 WeakPolarHBondContact SG-CA 3.12Å; C407-C420 WeakPolarHBondContact SG-CB 3.07Å; C407-C420 CovalentContact SG-SG 2.04Å; C407-C420 PolarHBondContact SG-SG 2.83Å
408	S	81.6	Confident	84.4	Confident	6 Å²	6	59.9 Å²	59.9	4%	0.042	31%	0.311	C	S	.	.	S	Bend	trans	-70.3	-21.2	176.3	60.5	0	0	0	0	114.2	C435 R676	S408-C435 PolarHBondContact OG-N 3.04Å; S408-C435 VanDerWaalsContact OG-N 3.13Å; S408-R676 PolarHBondContact O-NH2 3.35Å
409	Q	86.2	Confident	84.3	Confident	19 Å²	19	62.2 Å²	62.2	9%	0.089	32%	0.319	C	S	.	.	S	Bend	trans	-141.3	-103.9	179.2	-68.3	-173.3	-1.6	0	0	111.1	C407 Y423 C435 N615	C407-Q409 VanDerWaalsContact C-N 3.27Å; C407-Q409 PolarHBondContact O-N 2.8Å; Q409-Y423 HydrophobicContact CB-CD2 3.75Å; Q409-Y423 HydrophobicContact CB-CE2 3.77Å; Q409-Y423 HydrophobicContact CG-CD2 3.95Å; Q409-Y423 HydrophobicContact CG-CE2 4.23Å; Q409-C435 HydrophobicContact CB-CB 4.4Å; Q409-C435 HydrophobicContact CG-CB 3.79Å; Q409-N615 WeakPolarHBondContact CA-OD1 3.23Å
410	I	87.5	Confident	84.4	Confident	48 Å²	48	61 Å²	61	25%	0.246	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.4	-177.9	-53.2	171.9	0	0	0	109.2	C407 I412 C420 E421 Y423	C407-I410 WeakPolarHBondContact CB-O 3.03Å; I410-I412 HydrophobicContact CG2-CG1 4.17Å; I410-C420 VanDerWaalsContact O-CA 3.3Å; I410-C420 WeakPolarHBondContact O-CA 3.45Å; I410-E421 HydrophobicContact CB-CB 4.1Å; I410-E421 WeakPolarHBondContact CB-O 3.03Å; I410-E421 HydrophobicContact CD1-CB 4.45Å; I410-E421 HydrophobicContact CG2-CB 4.38Å; I410-E421 PolarHBondContact N-O 3.07Å; I410-E421 PolarHBondContact O-N 3.06Å; I410-Y423 HydrophobicContact CD1-CD1 3.82Å; I410-Y423 HydrophobicContact CD1-CE1 3.91Å; I410-Y423 HydrophobicContact CD1-CG 4.3Å; I410-Y423 HydrophobicContact CG1-CD1 3.94Å; I410-Y423 HydrophobicContact CG1-CD2 4.32Å; I410-Y423 HydrophobicContact CG1-CE1 3.63Å; I410-Y423 HydrophobicContact CG1-CE2 4.04Å; I410-Y423 HydrophobicContact CG1-CG 4.27Å
411	C	88.5	Confident	84.4	Confident	38 Å²	38	62.6 Å²	62.6	26%	0.257	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.2	169.8	-173.3	0	0	0	0	110	C401 C407	C401-C411 WeakPolarHBondContact CA-SG 3.26Å; C401-C411 HydrophobicContact CB-CB 3.72Å; C401-C411 WeakPolarHBondContact CB-SG 3.3Å; C401-C411 WeakPolarHBondContact SG-CB 3.43Å; C401-C411 CovalentContact SG-SG 2.04Å; C401-C411 PolarHBondContact SG-SG 2.02Å; C407-C411 HydrophobicContact CB-CB 3.95Å
412	I	90	Very high	84.7	Confident	52 Å²	52	61.9 Å²	61.9	27%	0.267	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.5	173.7	-53.1	179.1	0	0	0	108.7	C401 I410 Y414 K419 E421	C401-I412 VanDerWaalsContact SG-C 3.59Å; C401-I412 PolarHBondContact SG-N 3.2Å; I410-I412 HydrophobicContact CG2-CG1 4.17Å; I412-Y414 HydrophobicContact CB-CE2 3.93Å; I412-Y414 HydrophobicContact CG2-CD2 4.21Å; I412-Y414 HydrophobicContact CG2-CE2 3.48Å; I412-Y414 VanDerWaalsContact CG2-CE2 3.48Å; I412-Y414 WeakPolarHBondContact O-CD2 3.49Å; I412-K419 PolarHBondContact N-O 2.91Å; I412-K419 PolarHBondContact O-N 3.12Å; I412-E421 HydrophobicContact CD1-CG 4.09Å; I412-E421 WeakPolarHBondContact CD1-OE2 3.3Å
413	N	90.6	Very high	85	Confident	46 Å²	46	58.5 Å²	58.5	25%	0.246	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.6	177.4	-158.7	67.4	0	0	0	110.7	D397 I398 N399 E400 C401	D397-N413 PolarHBondContact OD2-ND2 2.85Å; I398-N413 PolarHBondContact O-ND2 2.82Å; I398-N413 PolarHBondContact O-OD1 3.31Å; N399-N413 WeakPolarHBondContact CA-OD1 3.25Å; N399-N413 WeakPolarHBondContact OD1-CB 3.41Å; N399-N413 VanDerWaalsContact OD1-CG 3.29Å; N399-N413 PolarHBondContact OD1-OD1 3.37Å; E400-N413 PolarHBondContact N-OD1 2.89Å; E400-N413 VanDerWaalsContact N-OD1 3.16Å; E400-N413 PolarHBondContact OE2-OD1 2.87Å; C401-N413 PolarHBondContact SG-N 3.07Å
414	Y	89.6	Confident	85.6	Confident	123 Å²	123	63.7 Å²	63.7	48%	0.482	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	168.7	166.8	-63.5	-94.2	0	0	0	109.1	I412 G416 D417 K419	I412-Y414 HydrophobicContact CB-CE2 3.93Å; I412-Y414 HydrophobicContact CG2-CD2 4.21Å; I412-Y414 HydrophobicContact CG2-CE2 3.48Å; I412-Y414 VanDerWaalsContact CG2-CE2 3.48Å; I412-Y414 WeakPolarHBondContact O-CD2 3.49Å; Y414-G416 PolarHBondContact O-N 3.34Å; Y414-D417 CarbonylContact C-O 3.5Å; Y414-D417 VanDerWaalsContact C-O 3.24Å; Y414-D417 VanDerWaalsContact CA-O 3.23Å; Y414-D417 WeakPolarHBondContact CA-O 3.31Å; Y414-D417 VanDerWaalsContact CB-O 3.26Å; Y414-D417 WeakPolarHBondContact CB-O 3.33Å; Y414-D417 PolarHBondContact N-O 2.76Å; Y414-D417 PolarHBondContact O-N 3.37Å; Y414-K419 HydrophobicContact CD2-CB 4.24Å; Y414-K419 HydrophobicContact CE2-CB 3.74Å
415	K	88	Confident	86.5	Confident	154 Å²	154	61.8 Å²	61.8	67%	0.67	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	91.7	-173.2	-161.3	-161.7	165.6	-175	0	112.1	Y387 D397	Y387-K415 HydrophobicContact CE1-CG 4.33Å; Y387-K415 WeakPolarHBondContact OH-CE 3.35Å; Y387-K415 PolarHBondContact OH-O 3.34Å; D397-K415 VanDerWaalsContact OD1-CA 3.23Å; D397-K415 WeakPolarHBondContact OD1-CA 3.09Å; D397-K415 WeakPolarHBondContact OD1-CG 3.36Å
416	G	85.1	Confident	87.6	Confident	18 Å²	18	60.7 Å²	60.7	19%	0.186	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	94	12.8	-178.2	0	0	0	0	0	116.1	D397 Y414	D397-G416 PolarHBondContact OD1-N 2.97Å; Y414-G416 PolarHBondContact O-N 3.34Å
417	D	87.8	Confident	88.2	Confident	112 Å²	112	66.2 Å²	66.2	60%	0.599	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-163.2	157.1	175.8	-167.4	17	0	0	0	108.7	Y414	Y414-D417 CarbonylContact C-O 3.5Å; Y414-D417 VanDerWaalsContact C-O 3.24Å; Y414-D417 VanDerWaalsContact CA-O 3.23Å; Y414-D417 WeakPolarHBondContact CA-O 3.31Å; Y414-D417 VanDerWaalsContact CB-O 3.26Å; Y414-D417 WeakPolarHBondContact CB-O 3.33Å; Y414-D417 PolarHBondContact N-O 2.76Å; Y414-D417 PolarHBondContact O-N 3.37Å
418	F	89.8	Confident	88.5	Confident	68 Å²	68	68.7 Å²	68.7	30%	0.298	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.6	177.9	72.2	-82.8	0	0	0	111.3	E400 A406	E400-F418 HydrophobicContact CB-CB 4.06Å; E400-F418 HydrophobicContact CB-CD1 3.58Å; E400-F418 HydrophobicContact CB-CD2 4.36Å; E400-F418 HydrophobicContact CB-CE1 4.1Å; E400-F418 HydrophobicContact CB-CG 3.73Å; E400-F418 HydrophobicContact CG-CD1 3.48Å; E400-F418 VanDerWaalsContact CG-CD1 3.48Å; E400-F418 HydrophobicContact CG-CE1 3.81Å; E400-F418 HydrophobicContact CG-CG 4.17Å; A406-F418 HydrophobicContact CB-CD2 4.22Å; A406-F418 HydrophobicContact CB-CE2 3.94Å; A406-F418 HydrophobicContact CB-CZ 4.38Å; A406-F418 VanDerWaalsContact O-CE2 3.3Å; A406-F418 WeakPolarHBondContact O-CE2 3.31Å
419	K	88.3	Confident	88.6	Confident	102 Å²	102	70.9 Å²	70.9	44%	0.443	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.5	179.7	-167.5	-169.9	174.4	-167	0	110.6	I412 Y414 E421	I412-K419 PolarHBondContact N-O 2.91Å; I412-K419 PolarHBondContact O-N 3.12Å; Y414-K419 HydrophobicContact CD2-CB 4.24Å; Y414-K419 HydrophobicContact CE2-CB 3.74Å; K419-E421 HydrophobicContact CD-CG 4.11Å; K419-E421 WeakPolarHBondContact CD-OE1 3.34Å; K419-E421 VanDerWaalsContact CE-OE1 3.28Å; K419-E421 WeakPolarHBondContact CE-OE1 3.5Å; K419-E421 HydrophobicContact CG-CG 4.4Å; K419-E421 IonicContact NZ-OE1 2.64Å; K419-E421 PolarHBondContact NZ-OE1 2.93Å
420	C	88.8	Confident	88.5	Confident	33 Å²	33	77.8 Å²	77.8	22%	0.223	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137	165.7	-53.9	0	0	0	0	111.2	A406 C407 I410 M428	A406-C420 PolarHBondContact O-SG 2.89Å; A406-C420 VanDerWaalsContact O-SG 3.4Å; C407-C420 WeakPolarHBondContact CA-SG 3.45Å; C407-C420 HydrophobicContact CB-CB 3.71Å; C407-C420 WeakPolarHBondContact CB-SG 3.3Å; C407-C420 WeakPolarHBondContact SG-CA 3.12Å; C407-C420 WeakPolarHBondContact SG-CB 3.07Å; C407-C420 CovalentContact SG-SG 2.04Å; C407-C420 PolarHBondContact SG-SG 2.83Å; I410-C420 VanDerWaalsContact O-CA 3.3Å; I410-C420 WeakPolarHBondContact O-CA 3.45Å; C420-M428 HydrophobicContact CB-CE 3.75Å
421	E	89.3	Confident	88.3	Confident	67 Å²	67	81.6 Å²	81.6	31%	0.313	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	166.7	170.8	-61.6	-167.5	164.9	0	0	109.8	I410 I412 K419	I410-E421 HydrophobicContact CB-CB 4.1Å; I410-E421 WeakPolarHBondContact CB-O 3.03Å; I410-E421 HydrophobicContact CD1-CB 4.45Å; I410-E421 HydrophobicContact CG2-CB 4.38Å; I410-E421 PolarHBondContact N-O 3.07Å; I410-E421 PolarHBondContact O-N 3.06Å; I412-E421 HydrophobicContact CD1-CG 4.09Å; I412-E421 WeakPolarHBondContact CD1-OE2 3.3Å; K419-E421 HydrophobicContact CD-CG 4.11Å; K419-E421 WeakPolarHBondContact CD-OE1 3.34Å; K419-E421 VanDerWaalsContact CE-OE1 3.28Å; K419-E421 WeakPolarHBondContact CE-OE1 3.5Å; K419-E421 HydrophobicContact CG-CG 4.4Å; K419-E421 IonicContact NZ-OE1 2.64Å; K419-E421 PolarHBondContact NZ-OE1 2.93Å
422	C	91.7	Very high	87.8	Confident	29 Å²	29	83.5 Å²	83.5	20%	0.196	42%	0.421	C	S	.	.			trans	-115.7	151.9	-175.9	-54.7	0	0	0	0	110.9	Y426 C435	C422-Y426 VanDerWaalsContact CB-O 3.29Å; C422-Y426 WeakPolarHBondContact CB-O 3.37Å; C422-C435 WeakPolarHBondContact CA-SG 3.16Å; C422-C435 HydrophobicContact CB-CB 3.76Å; C422-C435 WeakPolarHBondContact CB-SG 3.33Å; C422-C435 VanDerWaalsContact SG-CA 3.56Å; C422-C435 WeakPolarHBondContact SG-CB 3.24Å; C422-C435 CovalentContact SG-SG 2.04Å; C422-C435 PolarHBondContact SG-SG 3.46Å
423	Y	90	Very high	87.2	Confident	81 Å²	81	89 Å²	89	32%	0.318	44%	0.443	S	S	.	.			trans	-71.5	165.2	172.4	-66.1	-71.5	0	0	0	111.6	Q409 I410 G425 Y426 A614	Q409-Y423 HydrophobicContact CB-CD2 3.75Å; Q409-Y423 HydrophobicContact CB-CE2 3.77Å; Q409-Y423 HydrophobicContact CG-CD2 3.95Å; Q409-Y423 HydrophobicContact CG-CE2 4.23Å; I410-Y423 HydrophobicContact CD1-CD1 3.82Å; I410-Y423 HydrophobicContact CD1-CE1 3.91Å; I410-Y423 HydrophobicContact CD1-CG 4.3Å; I410-Y423 HydrophobicContact CG1-CD1 3.94Å; I410-Y423 HydrophobicContact CG1-CD2 4.32Å; I410-Y423 HydrophobicContact CG1-CE1 3.63Å; I410-Y423 HydrophobicContact CG1-CE2 4.04Å; I410-Y423 HydrophobicContact CG1-CG 4.27Å; Y423-G425 PolarHBondContact O-N 2.96Å; Y423-Y426 WeakPolarHBondContact O-CB 3.45Å; Y423-Y426 PolarHBondContact O-N 3.36Å; Y423-A614 HydrophobicContact CD2-CB 3.81Å; Y423-A614 HydrophobicContact CE2-CB 4.17Å; Y423-A614 HydrophobicContact CG-CB 4.39Å; Y423-A614 PolarHBondContact OH-O 3.02Å
424	E	88.4	Confident	86.9	Confident	193 Å²	193	87.6 Å²	87.6	90%	0.902	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	133.8	176.5	-169.7	170.5	-177.2	0	0	111.4
425	G	86.9	Confident	86.9	Confident	23 Å²	23	81.7 Å²	81.7	24%	0.237	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	0.7	-172.4	0	0	0	0	0	115.6	Y423 E438 L701	Y423-G425 PolarHBondContact O-N 2.96Å; G425-E438 PolarHBondContact O-N 3.39Å; G425-L701 WeakPolarHBondContact O-CD1 3.38Å
426	Y	91.3	Very high	86.9	Confident	30 Å²	30	77.2 Å²	77.2	12%	0.118	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.4	173.2	-67.5	-92.1	0	0	0	111.8	C422 Y423 K436 A437 E658 L701	C422-Y426 VanDerWaalsContact CB-O 3.29Å; C422-Y426 WeakPolarHBondContact CB-O 3.37Å; Y423-Y426 WeakPolarHBondContact O-CB 3.45Å; Y423-Y426 PolarHBondContact O-N 3.36Å; Y426-K436 CarbonylContact C-O 3.57Å; Y426-K436 VanDerWaalsContact CA-O 3.27Å; Y426-K436 WeakPolarHBondContact CA-O 3.44Å; Y426-A437 HydrophobicContact CD1-CB 4.16Å; Y426-A437 HydrophobicContact CE1-CB 3.92Å; Y426-E658 HydrophobicContact CE1-CG 4.17Å; Y426-L701 HydrophobicContact CD1-CD1 4.32Å; Y426-L701 HydrophobicContact CD2-CD1 3.99Å; Y426-L701 HydrophobicContact CE1-CD1 3.99Å; Y426-L701 HydrophobicContact CE2-CB 4.08Å; Y426-L701 HydrophobicContact CE2-CD1 3.64Å; Y426-L701 HydrophobicContact CE2-CG 4.34Å; Y426-L701 HydrophobicContact CG-CD1 4.31Å
427	E	90.1	Very high	87.1	Confident	138 Å²	138	77.6 Å²	77.6	65%	0.645	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	148.9	171.6	-65.7	-158.2	126.1	0	0	111.3	D429 C435 K436	E427-D429 PolarHBondContact O-N 2.86Å; E427-C435 CarbonylContact O-C 3.59Å; E427-C435 WeakPolarHBondContact O-CA 3.24Å; E427-K436 PolarHBondContact N-O 3.47Å; E427-K436 PolarHBondContact O-N 3.01Å
428	M	88.4	Confident	87	Confident	63 Å²	63	78.7 Å²	78.7	31%	0.31	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113	175.4	-179.6	64.6	73.5	0	0	110.2	C420 L430	C420-M428 HydrophobicContact CB-CE 3.75Å; M428-L430 PolarHBondContact O-N 2.86Å
429	D	85.3	Confident	86.6	Confident	51 Å²	51	78.7 Å²	78.7	27%	0.273	42%	0.416	S	S	.	.			trans	-68	118.1	171.1	169.9	29.7	0	0	0	110.5	E427 V431 T432 K433 T434 K436	E427-D429 PolarHBondContact O-N 2.86Å; D429-V431 PolarHBondContact O-N 3.2Å; D429-V431 PolarHBondContact OD1-N 2.83Å; D429-T432 VanDerWaalsContact OD2-CB 3.24Å; D429-T432 WeakPolarHBondContact OD2-CB 3.33Å; D429-T432 VanDerWaalsContact OD2-CG2 3.26Å; D429-T432 WeakPolarHBondContact OD2-CG2 3.29Å; D429-T432 PolarHBondContact OD2-N 2.59Å; D429-T432 PolarHBondContact OD2-OG1 2.68Å; D429-K433 VanDerWaalsContact O-CA 3.23Å; D429-K433 WeakPolarHBondContact O-CA 3.48Å; D429-K433 PolarHBondContact O-N 2.72Å; D429-T434 PolarHBondContact N-O 3.14Å; D429-K436 HydrophobicContact CB-CG 4.2Å
430	L	83.1	Confident	86.3	Confident	164 Å²	164	80.1 Å²	80.1	86%	0.859	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.6	179.5	-59.7	177.9	0	0	0	113.6	M428	M428-L430 PolarHBondContact O-N 2.86Å
431	V	83.2	Confident	86.2	Confident	129 Å²	129	80.3 Å²	80.3	78%	0.782	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-56.4	179.7	-175.8	0	0	0	0	111.4	D429	D429-V431 PolarHBondContact O-N 3.2Å; D429-V431 PolarHBondContact OD1-N 2.83Å
432	T	77.7	Confident	86.3	Confident	78 Å²	78	77.8 Å²	77.8	48%	0.479	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.2	-177.9	61.2	0	0	0	0	114.3	D429 T434	D429-T432 VanDerWaalsContact OD2-CB 3.24Å; D429-T432 WeakPolarHBondContact OD2-CB 3.33Å; D429-T432 VanDerWaalsContact OD2-CG2 3.26Å; D429-T432 WeakPolarHBondContact OD2-CG2 3.29Å; D429-T432 PolarHBondContact OD2-N 2.59Å; D429-T432 PolarHBondContact OD2-OG1 2.68Å; T432-T434 PolarHBondContact O-N 3.13Å; T432-T434 PolarHBondContact OG1-N 3.34Å; T432-T434 PolarHBondContact OG1-OG1 2.98Å
433	K	78.8	Confident	86.5	Confident	166 Å²	166	78 Å²	78	72%	0.722	41%	0.41	S	S	*	.			trans	56.8	29.8	-167.7	-53.4	-175.2	179.2	-176.2	0	113.6	D429	D429-K433 VanDerWaalsContact O-CA 3.23Å; D429-K433 WeakPolarHBondContact O-CA 3.48Å; D429-K433 PolarHBondContact O-N 2.72Å
434	T	83.5	Confident	86.7	Confident	17 Å²	17	74.1 Å²	74.1	10%	0.104	40%	0.395	C	S	.	.			trans	-106.6	149.2	173.6	65.3	0	0	0	0	110.9	D429 T432 K436 D659	D429-T434 PolarHBondContact N-O 3.14Å; T432-T434 PolarHBondContact O-N 3.13Å; T432-T434 PolarHBondContact OG1-N 3.34Å; T432-T434 PolarHBondContact OG1-OG1 2.98Å; T434-K436 PolarHBondContact O-N 2.84Å; T434-K436 WeakPolarHBondContact OG1-CE 3.49Å; T434-D659 HydrophobicContact CG2-CB 3.98Å
435	C	89.4	Confident	87.1	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.6	173.5	-65.9	0	0	0	0	109.8	S408 Q409 C422 E427	S408-C435 PolarHBondContact OG-N 3.04Å; S408-C435 VanDerWaalsContact OG-N 3.13Å; Q409-C435 HydrophobicContact CB-CB 4.4Å; Q409-C435 HydrophobicContact CG-CB 3.79Å; C422-C435 WeakPolarHBondContact CA-SG 3.16Å; C422-C435 HydrophobicContact CB-CB 3.76Å; C422-C435 WeakPolarHBondContact CB-SG 3.33Å; C422-C435 VanDerWaalsContact SG-CA 3.56Å; C422-C435 WeakPolarHBondContact SG-CB 3.24Å; C422-C435 CovalentContact SG-SG 2.04Å; C422-C435 PolarHBondContact SG-SG 3.46Å; E427-C435 CarbonylContact O-C 3.59Å; E427-C435 WeakPolarHBondContact O-CA 3.24Å
436	K	88.9	Confident	87.5	Confident	60 Å²	60	63.9 Å²	63.9	26%	0.261	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.1	-177.5	-67.7	-58	-168.7	-179.4	0	111.2	Y426 E427 D429 T434 E658 D659	Y426-K436 CarbonylContact C-O 3.57Å; Y426-K436 VanDerWaalsContact CA-O 3.27Å; Y426-K436 WeakPolarHBondContact CA-O 3.44Å; E427-K436 PolarHBondContact N-O 3.47Å; E427-K436 PolarHBondContact O-N 3.01Å; D429-K436 HydrophobicContact CB-CG 4.2Å; T434-K436 PolarHBondContact O-N 2.84Å; T434-K436 WeakPolarHBondContact OG1-CE 3.49Å; K436-E658 WeakPolarHBondContact CA-OE1 3.07Å; K436-E658 HydrophobicContact CD-CB 4.4Å; K436-E658 HydrophobicContact CD-CG 4.2Å; K436-E658 WeakPolarHBondContact CD-OE1 3.46Å; K436-E658 WeakPolarHBondContact CD-OE2 3.49Å; K436-E658 IonicContact NZ-OE2 3.51Å; K436-E658 PolarHBondContact NZ-OE2 2.96Å; K436-D659 IonicContact NZ-OD1 2.73Å; K436-D659 PolarHBondContact NZ-OD1 3.24Å
437	A	89.5	Confident	87.7	Confident	26 Å²	26	62.4 Å²	62.4	22%	0.215	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.7	-173.3	0	0	0	0	0	112.2	Y426 F657 E658 L701	Y426-A437 HydrophobicContact CD1-CB 4.16Å; Y426-A437 HydrophobicContact CE1-CB 3.92Å; A437-F657 HydrophobicContact CB-CE1 4Å; A437-F657 HydrophobicContact CB-CZ 3.58Å; A437-E658 PolarHBondContact N-OE1 3.47Å; A437-L701 HydrophobicContact CB-CD1 3.67Å
438	E	85.6	Confident	87.9	Confident	134 Å²	134	56.2 Å²	56.2	63%	0.626	31%	0.306	S	S	*	.			trans	-77.4	142.8	167.3	-160.8	-168.1	163.9	0	0	110.3	G425	G425-E438 PolarHBondContact O-N 3.39Å
439	G	79.9	Confident	87.9	Confident	69 Å²	69	57.9 Å²	57.9	71%	0.711	31%	0.309	S	S	*	.	S	Bend	trans	120.5	-126	167.3	0	0	0	0	0	115.5
440	K	82.5	Confident	88	Confident	131 Å²	131	59.2 Å²	59.2	57%	0.57	31%	0.313	S	S	*	.	S	Bend	trans	-85.9	151.5	-175.8	-67.2	-179.9	-179.5	175.7	0	110.4	H699	K440-H699 PolarHBondContact O-CD2 3.09Å; K440-H699 PolarHBondContact O-NE2 3.47Å
441	S	85.9	Confident	88.4	Confident	38 Å²	38	52.5 Å²	52.5	27%	0.266	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-60.8	125.3	174	52.8	0	0	0	0	110.7	D456 K459	S441-D456 PolarHBondContact OG-OD2 3.06Å; S441-K459 PolarHBondContact OG-NZ 3.38Å
442	P	93.2	Very high	88.9	Confident	13 Å²	13	46.4 Å²	46.4	8%	0.084	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-70.2	147.9	178.2	31	-36.9	0	0	0	110.2	L457 F657 H699	P442-L457 HydrophobicContact CB-CD1 4.19Å; P442-L457 HydrophobicContact CG-CB 4.34Å; P442-L457 HydrophobicContact CG-CD1 4.09Å; P442-L457 WeakPolarHBondContact O-CB 3.44Å; P442-L457 PolarHBondContact O-N 3.01Å; P442-F657 HydrophobicContact CB-CD1 4.15Å; P442-F657 HydrophobicContact CB-CE1 3.73Å; P442-F657 HydrophobicContact CB-CZ 4.19Å; P442-F657 HydrophobicContact CG-CD1 4.19Å; P442-F657 HydrophobicContact CG-CE1 3.71Å; P442-H699 HydrophobicContact CB-CB 4.19Å
443	Y	93.9	Very high	89.7	Confident	34 Å²	34	45.2 Å²	45.2	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.6	176.2	59.2	-93.5	0	0	0	111.7	L445 R454 I455 F698	Y443-L445 HydrophobicContact CD2-CD1 3.44Å; Y443-L445 VanDerWaalsContact CD2-CD1 3.44Å; Y443-L445 HydrophobicContact CE2-CD1 3.41Å; Y443-L445 VanDerWaalsContact CE2-CD1 3.41Å; Y443-R454 HydrophobicContact CD2-CB 4.21Å; Y443-I455 CarbonylContact C-O 3.52Å; Y443-I455 WeakPolarHBondContact CA-O 3.32Å; Y443-I455 VanDerWaalsContact CB-O 3.24Å; Y443-I455 WeakPolarHBondContact CB-O 3.37Å; Y443-F698 HydrophobicContact CD1-CB 4.28Å; Y443-F698 AromaticContact CD1-CD1 3.99Å; Y443-F698 HydrophobicContact CD1-CD1 3.99Å; Y443-F698 HydrophobicContact CD1-CG 4.4Å; Y443-F698 HydrophobicContact CD2-CB 3.74Å; Y443-F698 HydrophobicContact CD2-CG 4.3Å; Y443-F698 HydrophobicContact CE1-CB 4.09Å; Y443-F698 AromaticContact CE1-CD1 3.23Å; Y443-F698 HydrophobicContact CE1-CD1 3.23Å; Y443-F698 AromaticContact CE1-CE1 3.76Å; Y443-F698 HydrophobicContact CE1-CE1 3.76Å; Y443-F698 AromaticContact CE1-CG 3.75Å; Y443-F698 HydrophobicContact CE1-CG 3.75Å; Y443-F698 HydrophobicContact CE2-CB 3.54Å; Y443-F698 HydrophobicContact CE2-CD1 4.05Å; Y443-F698 HydrophobicContact CE2-CD2 4.11Å; Y443-F698 AromaticContact CE2-CG 3.64Å; Y443-F698 HydrophobicContact CE2-CG 3.64Å; Y443-F698 HydrophobicContact CG-CB 4.12Å; Y443-F698 AromaticContact CZ-CD1 3.28Å; Y443-F698 AromaticContact CZ-CD2 3.84Å; Y443-F698 AromaticContact CZ-CE1 3.78Å; Y443-F698 AromaticContact CZ-CG 3.32Å; Y443-F698 PolarHBondContact N-O 3.05Å; Y443-F698 PolarHBondContact O-N 2.97Å; Y443-F698 WeakPolarHBondContact OH-CD1 3.43Å; Y443-F698 WeakPolarHBondContact OH-CD2 2.99Å; Y443-F698 WeakPolarHBondContact OH-CE1 3.34Å; Y443-F698 WeakPolarHBondContact OH-CE2 3.11Å; Y443-F698 WeakPolarHBondContact OH-CG 2.99Å; Y443-F698 WeakPolarHBondContact OH-CZ 3Å
444	L	95.8	Very high	90.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.5	175.4	-59.7	172.9	0	0	0	109.2	R454 I455 L457 Y662 L685 I695 V696 V697	L444-R454 CarbonylContact O-C 3.49Å; L444-R454 WeakPolarHBondContact O-CA 3.17Å; L444-R454 WeakPolarHBondContact O-CB 3.37Å; L444-I455 PolarHBondContact N-O 2.9Å; L444-I455 PolarHBondContact O-N 2.76Å; L444-L457 HydrophobicContact CD1-CD2 3.83Å; L444-L457 HydrophobicContact CD2-CD1 4.4Å; L444-L457 HydrophobicContact CG-CD1 4.29Å; L444-L457 HydrophobicContact CG-CD2 3.97Å; L444-L457 HydrophobicContact CG-CG 4.24Å; L444-Y662 HydrophobicContact CD1-CD1 3.65Å; L444-Y662 HydrophobicContact CD1-CE1 4.16Å; L444-Y662 HydrophobicContact CD1-CG 4.02Å; L444-Y662 HydrophobicContact CD2-CD1 4.36Å; L444-Y662 HydrophobicContact CD2-CD2 4.15Å; L444-Y662 HydrophobicContact CD2-CG 4.01Å; L444-L685 HydrophobicContact CD1-CD1 3.7Å; L444-I695 HydrophobicContact CD1-CD1 4.25Å; L444-V696 WeakPolarHBondContact CA-O 3.38Å; L444-V697 HydrophobicContact CD2-CB 4.48Å; L444-V697 HydrophobicContact CD2-CG2 3.5Å
445	L	95.9	Very high	90.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.3	159.7	-98.7	69.8	0	0	0	109.3	Y443 I452 R453 R454 V465 L475 L477 V484 I695 V696	Y443-L445 HydrophobicContact CD2-CD1 3.44Å; Y443-L445 VanDerWaalsContact CD2-CD1 3.44Å; Y443-L445 HydrophobicContact CE2-CD1 3.41Å; Y443-L445 VanDerWaalsContact CE2-CD1 3.41Å; L445-I452 HydrophobicContact CD2-CG2 4.21Å; L445-I452 HydrophobicContact CG-CG2 4.34Å; L445-R453 WeakPolarHBondContact CA-O 3.48Å; L445-R454 HydrophobicContact CD1-CB 3.47Å; L445-R454 VanDerWaalsContact CD1-CB 3.47Å; L445-R454 HydrophobicContact CG-CB 4.09Å; L445-V465 HydrophobicContact CD2-CG1 4.42Å; L445-V465 HydrophobicContact CG-CG2 4.5Å; L445-L475 HydrophobicContact CB-CD1 3.94Å; L445-L475 HydrophobicContact CD2-CD1 4.34Å; L445-L477 HydrophobicContact CD2-CD2 3.81Å; L445-V484 HydrophobicContact CD2-CG2 4.32Å; L445-I695 WeakPolarHBondContact O-CA 3.07Å; L445-V696 HydrophobicContact CB-CG2 4.19Å; L445-V696 PolarHBondContact N-O 3.2Å; L445-V696 PolarHBondContact O-N 2.04Å
446	F	96	Very high	91.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147	176.5	69.2	-81.3	0	0	0	112.2	N448 I452 R453 I455 Y462 V671 A686 L689 D694 I695	F446-N448 HydrophobicContact CE2-CB 4.3Å; F446-I452 WeakPolarHBondContact O-CA 3.47Å; F446-I452 WeakPolarHBondContact O-CG2 3.5Å; F446-R453 HydrophobicContact CD1-CB 4.29Å; F446-R453 HydrophobicContact CE1-CB 3.65Å; F446-R453 HydrophobicContact CE2-CB 4.27Å; F446-R453 HydrophobicContact CZ-CB 3.65Å; F446-R453 HydrophobicContact CZ-CG 4.35Å; F446-R453 PolarHBondContact N-O 3.3Å; F446-R453 PolarHBondContact O-N 2.87Å; F446-I455 HydrophobicContact CD1-CD1 4.43Å; F446-I455 HydrophobicContact CD1-CG1 4.33Å; F446-I455 HydrophobicContact CE1-CD1 3.79Å; F446-I455 HydrophobicContact CE1-CG1 3.75Å; F446-Y462 HydrophobicContact CE1-CE2 4.2Å; F446-Y462 HydrophobicContact CZ-CE2 4.07Å; F446-V671 HydrophobicContact CD1-CG2 4.46Å; F446-V671 HydrophobicContact CD2-CG2 4.17Å; F446-V671 HydrophobicContact CE2-CG2 4.35Å; F446-V671 HydrophobicContact CG-CG2 4.23Å; F446-A686 HydrophobicContact CZ-CB 4.47Å; F446-L689 HydrophobicContact CD2-CD1 4.4Å; F446-L689 HydrophobicContact CE2-CD1 3.7Å; F446-L689 HydrophobicContact CE2-CD2 3.85Å; F446-L689 HydrophobicContact CE2-CG 4.41Å; F446-L689 HydrophobicContact CZ-CD1 4.29Å; F446-L689 HydrophobicContact CZ-CD2 4.07Å; F446-D694 WeakPolarHBondContact CA-O 3.33Å; F446-D694 WeakPolarHBondContact CB-O 3.49Å; F446-I695 HydrophobicContact CB-CB 4.09Å; F446-I695 HydrophobicContact CB-CD1 4.3Å; F446-I695 HydrophobicContact CB-CG1 4.03Å
447	T	95	Very high	91.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	139	172.2	34.5	0	0	0	0	111.7	I452 A472 V473 L475 P692 H693 D694	T447-I452 HydrophobicContact CG2-CD1 4.18Å; T447-I452 HydrophobicContact CG2-CG1 3.94Å; T447-A472 HydrophobicContact CG2-CB 3.91Å; T447-V473 PolarHBondContact OG1-O 2.04Å; T447-L475 HydrophobicContact CG2-CD2 3.81Å; T447-P692 WeakPolarHBondContact O-CA 3.28Å; T447-H693 PolarHBondContact O-N 2.87Å; T447-D694 PolarHBondContact N-O 2.97Å; T447-D694 VanDerWaalsContact N-O 3.13Å; T447-D694 PolarHBondContact OG1-N 3.33Å; T447-D694 PolarHBondContact OG1-O 2.81Å
448	N	93.5	Very high	91	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	52.2	174.3	-176	44.4	0	0	0	110.9	F446 H450 E451 N690 D691	F446-N448 HydrophobicContact CE2-CB 4.3Å; N448-H450 PolarHBondContact O-N 3.12Å; N448-E451 HydrophobicContact CB-CG 3.82Å; N448-E451 PolarHBondContact N-O 3.24Å; N448-E451 PolarHBondContact ND2-OE1 2.86Å; N448-N690 PolarHBondContact OD1-N 2.93Å; N448-D691 PolarHBondContact OD1-N 2.76Å
449	R	88.4	Confident	91	Very high	99 Å²	99	43.4 Å²	43.4	37%	0.374	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	62.5	-59.1	-178.4	-157.3	176.3	172.8	-178	-6	116.3	N471 A472 D691	R449-N471 CarbonylContact O-C 3.5Å; R449-N471 WeakPolarHBondContact O-CA 3.49Å; R449-A472 PolarHBondContact O-N 2.98Å; R449-D691 HydrophobicContact CB-CB 4Å; R449-D691 HydrophobicContact CG-CB 4.38Å
450	H	89.3	Confident	91.1	Very high	78 Å²	78	47.5 Å²	47.5	36%	0.361	22%	0.215	S	C	.	.	S	Bend	trans	-106.8	2.1	-174.3	-53.7	-52.1	0	0	0	113.5	N448 T468 Q469 K470	N448-H450 PolarHBondContact O-N 3.12Å; H450-T468 PolarHBondContact O-N 2.96Å; H450-Q469 VanDerWaalsContact CA-O 3.3Å; H450-Q469 WeakPolarHBondContact CA-O 3.41Å; H450-Q469 PolarHBondContact O-N 2.87Å; H450-K470 PolarHBondContact CE1-O 3.41Å; H450-K470 VanDerWaalsContact CE1-O 3.3Å; H450-K470 PolarHBondContact ND1-O 3.34Å
451	E	90.9	Very high	91.4	Very high	24 Å²	24	45.1 Å²	45.1	11%	0.112	21%	0.208	C	C	.	.			trans	-158.8	164.1	-174.7	64.6	-172.7	139.5	0	0	110.9	N448 R453 Q464 V466	N448-E451 HydrophobicContact CB-CG 3.82Å; N448-E451 PolarHBondContact N-O 3.24Å; N448-E451 PolarHBondContact ND2-OE1 2.86Å; E451-R453 VanDerWaalsContact CD-NH2 3.35Å; E451-R453 HydrophobicContact CG-CG 4.19Å; E451-R453 IonicContact OE1-CZ 3.58Å; E451-R453 IonicContact OE1-NE 2.68Å; E451-R453 PolarHBondContact OE1-NE 2.7Å; E451-R453 VanDerWaalsContact OE1-NE 3.12Å; E451-R453 IonicContact OE1-NH1 3.42Å; E451-R453 IonicContact OE1-NH2 3.41Å; E451-R453 PolarHBondContact OE1-NH2 3.04Å; E451-R453 IonicContact OE2-CZ 2.73Å; E451-R453 IonicContact OE2-NE 3.59Å; E451-R453 PolarHBondContact OE2-NE 2.88Å; E451-R453 IonicContact OE2-NH2 2.72Å; E451-R453 PolarHBondContact OE2-NH2 2.81Å; E451-Q464 HydrophobicContact CB-CG 4.37Å; E451-Q464 PolarHBondContact OE2-NE2 3.48Å; E451-V466 WeakPolarHBondContact CA-O 3.34Å; E451-V466 WeakPolarHBondContact CB-O 3.44Å
452	I	94.3	Very high	91.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.2	165.5	-55.9	-178.1	0	0	0	107.5	L445 F446 T447 V465 V466 L475 W486	L445-I452 HydrophobicContact CD2-CG2 4.21Å; L445-I452 HydrophobicContact CG-CG2 4.34Å; F446-I452 WeakPolarHBondContact O-CA 3.47Å; F446-I452 WeakPolarHBondContact O-CG2 3.5Å; T447-I452 HydrophobicContact CG2-CD1 4.18Å; T447-I452 HydrophobicContact CG2-CG1 3.94Å; I452-V465 PolarHBondContact O-N 2.68Å; I452-V466 HydrophobicContact CB-CB 3.87Å; I452-V466 HydrophobicContact CB-CG2 3.94Å; I452-V466 HydrophobicContact CD1-CB 4.3Å; I452-V466 HydrophobicContact CD1-CG2 3.99Å; I452-V466 HydrophobicContact CG1-CB 4.05Å; I452-V466 HydrophobicContact CG1-CG2 4.19Å; I452-V466 PolarHBondContact N-O 3.1Å; I452-V466 PolarHBondContact O-N 2.87Å; I452-V466 VanDerWaalsContact O-N 3.11Å; I452-L475 HydrophobicContact CD1-CB 4.44Å; I452-L475 HydrophobicContact CG2-CD1 4.49Å; I452-L475 HydrophobicContact CG2-CD2 4.34Å; I452-W486 HydrophobicContact CD1-CB 3.61Å; I452-W486 HydrophobicContact CD1-CD2 4.11Å; I452-W486 HydrophobicContact CD1-CG 3.69Å
453	R	93.6	Very high	91.4	Very high	53 Å²	53	48.3 Å²	48.3	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	158.6	-177.9	-67.8	-177.1	175	168.1	-0.1	110.8	L445 F446 E451 Y462	L445-R453 WeakPolarHBondContact CA-O 3.48Å; F446-R453 HydrophobicContact CD1-CB 4.29Å; F446-R453 HydrophobicContact CE1-CB 3.65Å; F446-R453 HydrophobicContact CE2-CB 4.27Å; F446-R453 HydrophobicContact CZ-CB 3.65Å; F446-R453 HydrophobicContact CZ-CG 4.35Å; F446-R453 PolarHBondContact N-O 3.3Å; F446-R453 PolarHBondContact O-N 2.87Å; E451-R453 VanDerWaalsContact CD-NH2 3.35Å; E451-R453 HydrophobicContact CG-CG 4.19Å; E451-R453 IonicContact OE1-CZ 3.58Å; E451-R453 IonicContact OE1-NE 2.68Å; E451-R453 PolarHBondContact OE1-NE 2.7Å; E451-R453 VanDerWaalsContact OE1-NE 3.12Å; E451-R453 IonicContact OE1-NH1 3.42Å; E451-R453 IonicContact OE1-NH2 3.41Å; E451-R453 PolarHBondContact OE1-NH2 3.04Å; E451-R453 IonicContact OE2-CZ 2.73Å; E451-R453 IonicContact OE2-NE 3.59Å; E451-R453 PolarHBondContact OE2-NE 2.88Å; E451-R453 IonicContact OE2-NH2 2.72Å; E451-R453 PolarHBondContact OE2-NH2 2.81Å; R453-Y462 VanDerWaalsContact CD-OH 3.25Å; R453-Y462 WeakPolarHBondContact CD-OH 3.47Å; R453-Y462 PolarHBondContact NH1-OH 2.04Å
454	R	93.8	Very high	91.1	Very high	68 Å²	68	51.4 Å²	51.4	26%	0.257	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.4	171.1	71.9	173.8	-172.5	-136.1	-10.4	113.4	Y443 L444 L445 S463 V465	Y443-R454 HydrophobicContact CD2-CB 4.21Å; L444-R454 CarbonylContact O-C 3.49Å; L444-R454 WeakPolarHBondContact O-CA 3.17Å; L444-R454 WeakPolarHBondContact O-CB 3.37Å; L445-R454 HydrophobicContact CD1-CB 3.47Å; L445-R454 VanDerWaalsContact CD1-CB 3.47Å; L445-R454 HydrophobicContact CG-CB 4.09Å; R454-S463 VanDerWaalsContact CG-OG 3.28Å; R454-S463 WeakPolarHBondContact CG-OG 3.15Å; R454-S463 VanDerWaalsContact CZ-OG 3.3Å; R454-S463 PolarHBondContact N-O 2.95Å; R454-S463 PolarHBondContact NE-OG 2.88Å; R454-S463 PolarHBondContact NH2-OG 2.7Å; R454-S463 PolarHBondContact O-N 2.85Å; R454-V465 HydrophobicContact CB-CG2 3.74Å; R454-V465 HydrophobicContact CG-CG2 3.67Å
455	I	94.4	Very high	90.8	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	117.2	174.4	-36.1	-172.3	0	0	0	109.9	Y443 L444 F446 L457 D461 Y462 L685 A686	Y443-I455 CarbonylContact C-O 3.52Å; Y443-I455 WeakPolarHBondContact CA-O 3.32Å; Y443-I455 VanDerWaalsContact CB-O 3.24Å; Y443-I455 WeakPolarHBondContact CB-O 3.37Å; L444-I455 PolarHBondContact N-O 2.9Å; L444-I455 PolarHBondContact O-N 2.76Å; F446-I455 HydrophobicContact CD1-CD1 4.43Å; F446-I455 HydrophobicContact CD1-CG1 4.33Å; F446-I455 HydrophobicContact CE1-CD1 3.79Å; F446-I455 HydrophobicContact CE1-CG1 3.75Å; I455-L457 PolarHBondContact O-N 2.91Å; I455-D461 CarbonylContact C-O 3.57Å; I455-D461 WeakPolarHBondContact CA-O 3.15Å; I455-Y462 HydrophobicContact CD1-CD2 4.1Å; I455-Y462 HydrophobicContact CD1-CE2 4.01Å; I455-Y462 HydrophobicContact CG1-CD2 3.8Å; I455-Y462 HydrophobicContact CG1-CE2 4.01Å; I455-Y462 HydrophobicContact CG2-CD2 4.41Å; I455-L685 HydrophobicContact CD1-CB 4.15Å; I455-A686 HydrophobicContact CD1-CB 3.97Å
456	D	92.5	Very high	90.4	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.08	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	119.3	171.1	-175.2	-58.1	0	0	0	109.9	S441 V458 K459 R460 D461	S441-D456 PolarHBondContact OG-OD2 3.06Å; D456-V458 PolarHBondContact O-N 3.43Å; D456-V458 PolarHBondContact OD1-N 2.87Å; D456-K459 HydrophobicContact CB-CB 4.21Å; D456-K459 PolarHBondContact OD1-N 2.94Å; D456-K459 IonicContact OD1-NZ 3.92Å; D456-K459 IonicContact OD2-NZ 2.62Å; D456-K459 PolarHBondContact OD2-NZ 3.32Å; D456-R460 WeakPolarHBondContact O-CA 3.34Å; D456-R460 PolarHBondContact O-N 3.05Å; D456-D461 HydrophobicContact CB-CB 4.08Å; D456-D461 PolarHBondContact N-O 2.85Å
457	L	89.9	Confident	89.7	Confident	34 Å²	34	52.7 Å²	52.7	18%	0.178	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.9	-172.2	-70.6	171.5	0	0	0	113.8	P442 L444 I455 Y662 L685	P442-L457 HydrophobicContact CB-CD1 4.19Å; P442-L457 HydrophobicContact CG-CB 4.34Å; P442-L457 HydrophobicContact CG-CD1 4.09Å; P442-L457 WeakPolarHBondContact O-CB 3.44Å; P442-L457 PolarHBondContact O-N 3.01Å; L444-L457 HydrophobicContact CD1-CD2 3.83Å; L444-L457 HydrophobicContact CD2-CD1 4.4Å; L444-L457 HydrophobicContact CG-CD1 4.29Å; L444-L457 HydrophobicContact CG-CD2 3.97Å; L444-L457 HydrophobicContact CG-CG 4.24Å; I455-L457 PolarHBondContact O-N 2.91Å; L457-Y662 HydrophobicContact CD1-CE1 4.36Å; L457-Y662 HydrophobicContact CD1-CE2 4.43Å; L457-Y662 HydrophobicContact CD2-CD1 4.4Å; L457-Y662 HydrophobicContact CD2-CE1 3.58Å; L457-L685 HydrophobicContact CD2-CD1 4.02Å
458	V	86.6	Confident	88.8	Confident	108 Å²	108	57.8 Å²	57.8	66%	0.655	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-44.6	-178.2	-177	0	0	0	0	110.7	D456	D456-V458 PolarHBondContact O-N 3.43Å; D456-V458 PolarHBondContact OD1-N 2.87Å
459	K	84.9	Confident	88.3	Confident	135 Å²	135	58.1 Å²	58.1	59%	0.587	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-19.8	-177.7	-55.5	-177	-163.6	72.9	0	113.3	S441 D456 D461	S441-K459 PolarHBondContact OG-NZ 3.38Å; D456-K459 HydrophobicContact CB-CB 4.21Å; D456-K459 PolarHBondContact OD1-N 2.94Å; D456-K459 IonicContact OD1-NZ 3.92Å; D456-K459 IonicContact OD2-NZ 2.62Å; D456-K459 PolarHBondContact OD2-NZ 3.32Å; K459-D461 HydrophobicContact CB-CB 4.15Å; K459-D461 PolarHBondContact O-N 3.42Å
460	R	82.9	Confident	88.1	Confident	154 Å²	154	58.9 Å²	58.9	58%	0.581	28%	0.28	S	S	*	.			trans	52.6	33	-164	-60.1	-173	175.4	-154	-4.1	112.5	D456 Q683	D456-R460 WeakPolarHBondContact O-CA 3.34Å; D456-R460 PolarHBondContact O-N 3.05Å; R460-Q683 VanDerWaalsContact NH2-OE1 3.1Å
461	D	87.7	Confident	88.1	Confident	82 Å²	82	56.8 Å²	56.8	44%	0.439	27%	0.272	S	S	.	.			trans	-74.3	136.1	171.4	-177.2	31.6	0	0	0	109.5	I455 D456 K459	I455-D461 CarbonylContact C-O 3.57Å; I455-D461 WeakPolarHBondContact CA-O 3.15Å; D456-D461 HydrophobicContact CB-CB 4.08Å; D456-D461 PolarHBondContact N-O 2.85Å; K459-D461 HydrophobicContact CB-CB 4.15Å; K459-D461 PolarHBondContact O-N 3.42Å
462	Y	90	Very high	88.1	Confident	91 Å²	91	55.7 Å²	55.7	36%	0.357	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	114.8	-167.9	-175	-95.6	0	0	0	110.1	F446 R453 I455 A686	F446-Y462 HydrophobicContact CE1-CE2 4.2Å; F446-Y462 HydrophobicContact CZ-CE2 4.07Å; R453-Y462 VanDerWaalsContact CD-OH 3.25Å; R453-Y462 WeakPolarHBondContact CD-OH 3.47Å; R453-Y462 PolarHBondContact NH1-OH 2.04Å; I455-Y462 HydrophobicContact CD1-CD2 4.1Å; I455-Y462 HydrophobicContact CD1-CE2 4.01Å; I455-Y462 HydrophobicContact CG1-CD2 3.8Å; I455-Y462 HydrophobicContact CG1-CE2 4.01Å; I455-Y462 HydrophobicContact CG2-CD2 4.41Å; Y462-A686 HydrophobicContact CE2-CB 3.89Å
463	S	89.5	Confident	88	Confident	27 Å²	27	55.8 Å²	55.8	19%	0.189	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	147.2	-171.6	65.3	0	0	0	0	112.7	R454	R454-S463 VanDerWaalsContact CG-OG 3.28Å; R454-S463 WeakPolarHBondContact CG-OG 3.15Å; R454-S463 VanDerWaalsContact CZ-OG 3.3Å; R454-S463 PolarHBondContact N-O 2.95Å; R454-S463 PolarHBondContact NE-OG 2.88Å; R454-S463 PolarHBondContact NH2-OG 2.7Å; R454-S463 PolarHBondContact O-N 2.85Å
464	Q	89.2	Confident	88	Confident	99 Å²	99	53.3 Å²	53.3	46%	0.463	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	145.7	169.4	-161.4	170.8	17.6	0	0	110.8	E451	E451-Q464 HydrophobicContact CB-CG 4.37Å; E451-Q464 PolarHBondContact OE2-NE2 3.48Å
465	V	89.6	Confident	88.1	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.03	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-49.5	177.2	179.2	0	0	0	0	110.3	L445 I452 R454 I499 A502 S503	L445-V465 HydrophobicContact CD2-CG1 4.42Å; L445-V465 HydrophobicContact CG-CG2 4.5Å; I452-V465 PolarHBondContact O-N 2.68Å; R454-V465 HydrophobicContact CB-CG2 3.74Å; R454-V465 HydrophobicContact CG-CG2 3.67Å; V465-I499 HydrophobicContact CG1-CG2 4.07Å; V465-A502 CarbonylContact O-C 3.51Å; V465-S503 WeakPolarHBondContact O-CA 3.03Å; V465-S503 PolarHBondContact O-N 2.91Å; V465-S503 VanDerWaalsContact O-N 3.12Å
466	V	86.3	Confident	88.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131	175.6	-172.4	0	0	0	0	108.5	E451 I452 Q469 W486 A502	E451-V466 WeakPolarHBondContact CA-O 3.34Å; E451-V466 WeakPolarHBondContact CB-O 3.44Å; I452-V466 HydrophobicContact CB-CB 3.87Å; I452-V466 HydrophobicContact CB-CG2 3.94Å; I452-V466 HydrophobicContact CD1-CB 4.3Å; I452-V466 HydrophobicContact CD1-CG2 3.99Å; I452-V466 HydrophobicContact CG1-CB 4.05Å; I452-V466 HydrophobicContact CG1-CG2 4.19Å; I452-V466 PolarHBondContact N-O 3.1Å; I452-V466 PolarHBondContact O-N 2.87Å; I452-V466 VanDerWaalsContact O-N 3.11Å; V466-Q469 HydrophobicContact CG1-CG 3.73Å; V466-W486 HydrophobicContact CG1-CH2 4.46Å; V466-W486 HydrophobicContact CG1-CZ2 3.98Å; V466-A502 HydrophobicContact CG2-CB 3.84Å
467	S	81.5	Confident	88.3	Confident	21 Å²	21	50.5 Å²	50.5	15%	0.147	25%	0.248	C	C	.	.			trans	-107.8	163.1	178.8	80.5	0	0	0	0	112	Q469 S503	S467-Q469 PolarHBondContact O-N 2.92Å; S467-Q469 PolarHBondContact O-NE2 2.96Å; S467-S503 PolarHBondContact OG-O 3.15Å; S467-S503 VanDerWaalsContact OG-O 3.12Å
468	T	76.6	Confident	88.5	Confident	107 Å²	107	49 Å²	49	66%	0.656	24%	0.241	S	C	*	.	S	Bend	trans	54.3	37.3	166	58.5	0	0	0	0	116.8	H450	H450-T468 PolarHBondContact O-N 2.96Å
469	Q	82.7	Confident	88.8	Confident	14 Å²	14	44.1 Å²	44.1	7%	0.065	21%	0.211	C	C	.	.			trans	-80.8	156.1	172.7	-56.8	-56.6	-67.8	0	0	111.2	H450 V466 S467 A472	H450-Q469 VanDerWaalsContact CA-O 3.3Å; H450-Q469 WeakPolarHBondContact CA-O 3.41Å; H450-Q469 PolarHBondContact O-N 2.87Å; V466-Q469 HydrophobicContact CG1-CG 3.73Å; S467-Q469 PolarHBondContact O-N 2.92Å; S467-Q469 PolarHBondContact O-NE2 2.96Å; Q469-A472 HydrophobicContact CB-CB 4.07Å; Q469-A472 HydrophobicContact CG-CB 4.3Å
470	K	84.6	Confident	89.1	Confident	115 Å²	115	41.3 Å²	41.3	50%	0.5	21%	0.213	S	C	.	.	S	Bend	trans	-86	-55.8	176.1	-75.5	-73	-170.4	170	0	111.3	H450 D488 F490 H491	H450-K470 PolarHBondContact CE1-O 3.41Å; H450-K470 VanDerWaalsContact CE1-O 3.3Å; H450-K470 PolarHBondContact ND1-O 3.34Å; K470-D488 WeakPolarHBondContact CB-OD2 3.46Å; K470-D488 PolarHBondContact N-OD2 2.98Å; K470-F490 HydrophobicContact CB-CB 3.66Å; K470-F490 HydrophobicContact CB-CD1 3.61Å; K470-F490 HydrophobicContact CB-CE1 4.47Å; K470-F490 HydrophobicContact CB-CG 3.76Å; K470-F490 HydrophobicContact CD-CD1 4.25Å; K470-F490 HydrophobicContact CD-CE1 4.3Å; K470-F490 HydrophobicContact CG-CD1 3.68Å; K470-F490 HydrophobicContact CG-CE1 4.1Å; K470-F490 HydrophobicContact CG-CG 4.29Å; K470-H491 WeakPolarHBondContact CG-CE1 3.19Å
471	N	88.2	Confident	89.5	Confident	35 Å²	35	37.7 Å²	37.7	19%	0.187	21%	0.205	C	C	.	.			trans	-149.5	73.1	176.2	-165.1	17.3	0	0	0	112.3	R449 V473 D488 R489 F490	R449-N471 CarbonylContact O-C 3.5Å; R449-N471 WeakPolarHBondContact O-CA 3.49Å; N471-V473 PolarHBondContact O-N 2.9Å; N471-D488 PolarHBondContact N-OD1 3.43Å; N471-D488 PolarHBondContact N-OD2 3.49Å; N471-D488 CarbonylContact O-C 3.47Å; N471-D488 WeakPolarHBondContact O-CA 3.35Å; N471-R489 HydrophobicContact CB-CB 4.49Å; N471-R489 PolarHBondContact O-N 3.08Å; N471-F490 HydrophobicContact CB-CB 3.95Å
472	A	90.9	Very high	89.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	118.7	175.5	0	0	0	0	0	110.8	T447 R449 Q469 C487	T447-A472 HydrophobicContact CG2-CB 3.91Å; R449-A472 PolarHBondContact O-N 2.98Å; Q469-A472 HydrophobicContact CB-CB 4.07Å; Q469-A472 HydrophobicContact CG-CB 4.3Å; A472-C487 WeakPolarHBondContact CA-O 3.18Å
473	V	91.8	Very high	89.9	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-54.9	-171.4	169.4	0	0	0	0	112.7	T447 N471 C487 R489 V520 H693 D694	T447-V473 PolarHBondContact OG1-O 2.04Å; N471-V473 PolarHBondContact O-N 2.9Å; V473-C487 PolarHBondContact N-O 3.4Å; V473-R489 HydrophobicContact CG2-CB 3.93Å; V473-V520 HydrophobicContact CG1-CG1 4.11Å; V473-H693 VanDerWaalsContact O-CB 3.24Å; V473-H693 WeakPolarHBondContact O-CB 3.39Å; V473-D694 VanDerWaalsContact O-CB 3.31Å; V473-D694 WeakPolarHBondContact O-CB 3.06Å; V473-D694 PolarHBondContact O-N 3.49Å
474	A	94.1	Very high	90.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.7	-176.5	0	0	0	0	0	111.2	W486 C487 L522 D694	A474-W486 VanDerWaalsContact O-CA 3.26Å; A474-W486 WeakPolarHBondContact O-CA 3.2Å; A474-C487 PolarHBondContact O-N 3.47Å; A474-L522 HydrophobicContact CB-CB 4.05Å; A474-D694 WeakPolarHBondContact CA-OD2 3.49Å
475	L	95.4	Very high	90.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	149.3	175.9	87.1	117	0	0	0	113.9	L445 T447 I452 L477 V484 F485 W486 D694 V696	L445-L475 HydrophobicContact CB-CD1 3.94Å; L445-L475 HydrophobicContact CD2-CD1 4.34Å; T447-L475 HydrophobicContact CG2-CD2 3.81Å; I452-L475 HydrophobicContact CD1-CB 4.44Å; I452-L475 HydrophobicContact CG2-CD1 4.49Å; I452-L475 HydrophobicContact CG2-CD2 4.34Å; L475-L477 HydrophobicContact CD1-CD2 4.2Å; L475-V484 HydrophobicContact CD1-CG2 3.99Å; L475-F485 CarbonylContact C-O 3.21Å; L475-F485 WeakPolarHBondContact CA-O 3.09Å; L475-F485 WeakPolarHBondContact CB-O 3.35Å; L475-W486 HydrophobicContact CB-CB 4.04Å; L475-D694 HydrophobicContact CD2-CB 4.45Å; L475-D694 PolarHBondContact N-OD2 2.91Å; L475-V696 HydrophobicContact CD1-CG2 3.45Å; L475-V696 VanDerWaalsContact CD1-CG2 3.45Å; L475-V696 HydrophobicContact CG-CG2 3.9Å
476	D	96.4	Very high	90.7	Very high	27 Å²	27	28.2 Å²	28.2	14%	0.144	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	173.9	166.9	-162.2	11.3	0	0	0	110.8	F485 A523 L524	D476-F485 PolarHBondContact N-O 2.85Å; D476-F485 PolarHBondContact O-N 2.53Å; D476-A523 WeakPolarHBondContact OD2-CA 3.39Å; D476-L524 WeakPolarHBondContact OD2-CB 3.31Å; D476-L524 PolarHBondContact OD2-N 2.74Å
477	L	94.8	Very high	91	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.9	-162.8	-58	169.7	0	0	0	111.9	L445 L475 V479 R483 V484 I499 L524 V696 F698 Q703	L445-L477 HydrophobicContact CD2-CD2 3.81Å; L475-L477 HydrophobicContact CD1-CD2 4.2Å; L477-V479 HydrophobicContact CB-CG2 4.29Å; L477-R483 WeakPolarHBondContact CA-O 3.48Å; L477-V484 HydrophobicContact CD2-CB 3.82Å; L477-V484 HydrophobicContact CD2-CG2 3.77Å; L477-I499 HydrophobicContact CD2-CD1 4.2Å; L477-L524 WeakPolarHBondContact O-CD2 3.28Å; L477-V696 HydrophobicContact CD1-CB 4.25Å; L477-V696 HydrophobicContact CD1-CG2 3.58Å; L477-V696 HydrophobicContact CG-CG2 3.9Å; L477-F698 HydrophobicContact CD1-CB 4.04Å; L477-F698 HydrophobicContact CD1-CD2 4.14Å; L477-Q703 PolarHBondContact O-NE2 3.48Å
478	D	94.8	Very high	91.4	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	104.4	155.8	-172.8	-35.7	0	0	0	108	A480 N481 N482 R483 F485 L524 H529	D478-A480 VanDerWaalsContact C-N 3.32Å; D478-A480 WeakPolarHBondContact OD1-CB 3.28Å; D478-A480 PolarHBondContact OD1-N 2.87Å; D478-N481 HydrophobicContact CB-CB 4.35Å; D478-N481 PolarHBondContact OD1-N 2.99Å; D478-N481 PolarHBondContact OD1-ND2 3.31Å; D478-N481 PolarHBondContact OD2-ND2 2.6Å; D478-N482 VanDerWaalsContact O-CA 3.26Å; D478-N482 WeakPolarHBondContact O-CA 3.26Å; D478-N482 PolarHBondContact O-N 3.01Å; D478-R483 HydrophobicContact CB-CB 4.2Å; D478-R483 PolarHBondContact N-O 2.99Å; D478-R483 PolarHBondContact O-N 2.88Å; D478-R483 VanDerWaalsContact O-N 3.09Å; D478-F485 HydrophobicContact CB-CE2 4.08Å; D478-L524 HydrophobicContact CB-CD2 3.67Å; D478-H529 IonicContact OD2-CE1 3.8Å; D478-H529 IonicContact OD2-ND1 3.84Å
479	V	93.7	Very high	91.9	Very high	5 Å²	5	28 Å²	28	3%	0.03	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.5	-176.7	180	0	0	0	0	111.9	L477 F698 Q700 Q703	L477-V479 HydrophobicContact CB-CG2 4.29Å; V479-F698 HydrophobicContact CB-CE2 4.21Å; V479-F698 HydrophobicContact CB-CZ 4.38Å; V479-F698 HydrophobicContact CG1-CD1 4.22Å; V479-F698 HydrophobicContact CG1-CD2 4.4Å; V479-F698 HydrophobicContact CG1-CE1 3.88Å; V479-F698 HydrophobicContact CG1-CE2 4.07Å; V479-F698 HydrophobicContact CG1-CG 4.47Å; V479-F698 HydrophobicContact CG1-CZ 3.79Å; V479-F698 HydrophobicContact CG2-CD2 3.97Å; V479-F698 HydrophobicContact CG2-CE2 4.14Å; V479-F698 HydrophobicContact CG2-CG 4.34Å; V479-Q700 HydrophobicContact CG1-CG 3.91Å; V479-Q703 VanDerWaalsContact CB-OE1 3.32Å; V479-Q703 HydrophobicContact CG2-CG 4.35Å
480	A	91.3	Very high	92.1	Very high	76 Å²	76	33.8 Å²	33.8	63%	0.628	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-47.1	176.4	0	0	0	0	0	111.1	D478 N482	D478-A480 VanDerWaalsContact C-N 3.32Å; D478-A480 WeakPolarHBondContact OD1-CB 3.28Å; D478-A480 PolarHBondContact OD1-N 2.87Å; A480-N482 PolarHBondContact O-ND2 3.24Å
481	N	91	Very high	92.1	Very high	78 Å²	78	32.5 Å²	32.5	42%	0.417	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-3	-177.9	-64.1	-60.6	0	0	0	113.8	D478 R483	D478-N481 HydrophobicContact CB-CB 4.35Å; D478-N481 PolarHBondContact OD1-N 2.99Å; D478-N481 PolarHBondContact OD1-ND2 3.31Å; D478-N481 PolarHBondContact OD2-ND2 2.6Å; N481-R483 VanDerWaalsContact C-N 3.29Å; N481-R483 HydrophobicContact CB-CG 4.47Å; N481-R483 PolarHBondContact O-N 3.07Å
482	N	92.8	Very high	92.2	Very high	50 Å²	50	36.5 Å²	36.5	27%	0.267	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	38.7	-177.6	-46.9	-95	0	0	0	112.8	D478 A480 I499	D478-N482 VanDerWaalsContact O-CA 3.26Å; D478-N482 WeakPolarHBondContact O-CA 3.26Å; D478-N482 PolarHBondContact O-N 3.01Å; A480-N482 PolarHBondContact O-ND2 3.24Å; N482-I499 WeakPolarHBondContact O-CG1 3.47Å; N482-I499 PolarHBondContact O-N 2.87Å
483	R	92.9	Very high	92.2	Very high	54 Å²	54	39.4 Å²	39.4	20%	0.204	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	148.2	174.9	-68.5	177.5	65.7	166.4	-2.3	110.7	L477 D478 N481 F485 S496 A497 F498	L477-R483 WeakPolarHBondContact CA-O 3.48Å; D478-R483 HydrophobicContact CB-CB 4.2Å; D478-R483 PolarHBondContact N-O 2.99Å; D478-R483 PolarHBondContact O-N 2.88Å; D478-R483 VanDerWaalsContact O-N 3.09Å; N481-R483 VanDerWaalsContact C-N 3.29Å; N481-R483 HydrophobicContact CB-CG 4.47Å; N481-R483 PolarHBondContact O-N 3.07Å; R483-F485 HydrophobicContact CB-CE2 4.01Å; R483-F485 HydrophobicContact CB-CZ 4.36Å; R483-S496 PolarHBondContact NE-OG 2.85Å; R483-S496 PolarHBondContact NH2-OG 3.09Å; R483-A497 WeakPolarHBondContact CA-O 3.36Å; R483-F498 HydrophobicContact CG-CD1 3.46Å; R483-F498 VanDerWaalsContact CG-CD1 3.46Å; R483-F498 HydrophobicContact CG-CE1 3.51Å; R483-F498 HydrophobicContact CG-CG 4.26Å; R483-F498 HydrophobicContact CG-CZ 4.34Å
484	V	94.7	Very high	92.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.8	168.2	55.9	0	0	0	0	108.9	L445 L475 L477 W486 S496 A497 I499 A502	L445-V484 HydrophobicContact CD2-CG2 4.32Å; L475-V484 HydrophobicContact CD1-CG2 3.99Å; L477-V484 HydrophobicContact CD2-CB 3.82Å; L477-V484 HydrophobicContact CD2-CG2 3.77Å; V484-W486 HydrophobicContact CG1-CE3 4.15Å; V484-W486 HydrophobicContact CG1-CZ3 3.99Å; V484-W486 HydrophobicContact CG2-CE3 4.27Å; V484-S496 VanDerWaalsContact O-CA 3.29Å; V484-S496 WeakPolarHBondContact O-CA 3.32Å; V484-S496 PolarHBondContact O-OG 3.46Å; V484-A497 PolarHBondContact N-O 3Å; V484-A497 PolarHBondContact O-N 2.65Å; V484-A497 VanDerWaalsContact O-N 3.14Å; V484-I499 HydrophobicContact CB-CG1 3.95Å; V484-I499 HydrophobicContact CG1-CG1 4.02Å; V484-A502 HydrophobicContact CG1-CB 4.23Å
485	F	95.1	Very high	92.2	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.8	174.4	-58.9	-97.6	0	0	0	107.4	L475 D476 D478 R483 Y495 S496 L511 L522 L524 L531 V546	L475-F485 CarbonylContact C-O 3.21Å; L475-F485 WeakPolarHBondContact CA-O 3.09Å; L475-F485 WeakPolarHBondContact CB-O 3.35Å; D476-F485 PolarHBondContact N-O 2.85Å; D476-F485 PolarHBondContact O-N 2.53Å; D478-F485 HydrophobicContact CB-CE2 4.08Å; R483-F485 HydrophobicContact CB-CE2 4.01Å; R483-F485 HydrophobicContact CB-CZ 4.36Å; F485-Y495 WeakPolarHBondContact CA-O 3.33Å; F485-S496 WeakPolarHBondContact CD1-OG 3.47Å; F485-S496 VanDerWaalsContact CE1-OG 3.23Å; F485-S496 WeakPolarHBondContact CE1-OG 3.04Å; F485-L511 HydrophobicContact CD1-CD1 3.72Å; F485-L511 HydrophobicContact CE1-CD1 3.66Å; F485-L522 HydrophobicContact CB-CD2 3.88Å; F485-L524 HydrophobicContact CD2-CD2 4.36Å; F485-L524 HydrophobicContact CE2-CD1 4.17Å; F485-L524 HydrophobicContact CE2-CD2 3.89Å; F485-L524 HydrophobicContact CZ-CD1 4.27Å; F485-L531 HydrophobicContact CD1-CD1 4.41Å; F485-L531 HydrophobicContact CD1-CD2 4.25Å; F485-L531 HydrophobicContact CG-CD1 4.43Å; F485-V546 HydrophobicContact CE1-CG1 3.97Å; F485-V546 HydrophobicContact CE1-CG2 4.36Å; F485-V546 HydrophobicContact CZ-CG1 3.97Å; F485-V546 HydrophobicContact CZ-CG2 4.3Å
486	W	94.9	Very high	92.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.9	177.7	70	98.5	0	0	0	111	I452 V466 A474 L475 V484 I494 Y495 A497 Q508	I452-W486 HydrophobicContact CD1-CB 3.61Å; I452-W486 HydrophobicContact CD1-CD2 4.11Å; I452-W486 HydrophobicContact CD1-CG 3.69Å; V466-W486 HydrophobicContact CG1-CH2 4.46Å; V466-W486 HydrophobicContact CG1-CZ2 3.98Å; A474-W486 VanDerWaalsContact O-CA 3.26Å; A474-W486 WeakPolarHBondContact O-CA 3.2Å; L475-W486 HydrophobicContact CB-CB 4.04Å; V484-W486 HydrophobicContact CG1-CE3 4.15Å; V484-W486 HydrophobicContact CG1-CZ3 3.99Å; V484-W486 HydrophobicContact CG2-CE3 4.27Å; W486-I494 WeakPolarHBondContact O-CA 3.37Å; W486-Y495 VanDerWaalsContact CZ2-CB 3.46Å; W486-Y495 HydrophobicContact CZ2-CG 4.11Å; W486-Y495 PolarHBondContact N-O 2.9Å; W486-Y495 VanDerWaalsContact N-O 3.1Å; W486-Y495 PolarHBondContact O-N 3.28Å; W486-A497 HydrophobicContact CH2-CB 3.89Å; W486-A497 HydrophobicContact CZ3-CB 3.94Å; W486-Q508 HydrophobicContact CH2-CB 4.06Å; W486-Q508 HydrophobicContact CH2-CG 3.85Å; W486-Q508 HydrophobicContact CZ2-CB 4.13Å; W486-Q508 HydrophobicContact CZ2-CG 3.97Å
487	C	92.8	Very high	92	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127	177	-160	0	0	0	0	112.2	A472 V473 A474 K493 I494 P519	A472-C487 WeakPolarHBondContact CA-O 3.18Å; V473-C487 PolarHBondContact N-O 3.4Å; A474-C487 PolarHBondContact O-N 3.47Å; C487-K493 PolarHBondContact SG-O 3.38Å; C487-K493 VanDerWaalsContact SG-O 3.35Å; C487-I494 HydrophobicContact CB-CG1 4.21Å; C487-P519 WeakPolarHBondContact SG-CG 3.29Å
488	D	90.6	Very high	92	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.2	170.8	-169.7	-29.8	0	0	0	109.7	K470 N471 F490 H491 R492 K493 Y495	K470-D488 WeakPolarHBondContact CB-OD2 3.46Å; K470-D488 PolarHBondContact N-OD2 2.98Å; N471-D488 PolarHBondContact N-OD1 3.43Å; N471-D488 PolarHBondContact N-OD2 3.49Å; N471-D488 CarbonylContact O-C 3.47Å; N471-D488 WeakPolarHBondContact O-CA 3.35Å; D488-F490 VanDerWaalsContact C-N 3.31Å; D488-F490 PolarHBondContact O-N 3.07Å; D488-F490 WeakPolarHBondContact OD1-CB 3.46Å; D488-F490 PolarHBondContact OD1-N 3.35Å; D488-H491 HydrophobicContact CB-CB 4.32Å; D488-H491 PolarHBondContact OD1-N 2.9Å; D488-H491 IonicContact OD1-ND1 3.86Å; D488-H491 IonicContact OD2-CE1 3.63Å; D488-H491 IonicContact OD2-CG 3.95Å; D488-H491 IonicContact OD2-ND1 2.86Å; D488-H491 PolarHBondContact OD2-ND1 2.79Å; D488-R492 WeakPolarHBondContact O-CA 3.34Å; D488-R492 PolarHBondContact O-N 3.31Å; D488-K493 PolarHBondContact N-O 2.86Å; D488-K493 PolarHBondContact O-N 2.78Å; D488-Y495 HydrophobicContact CB-CD2 4.39Å; D488-Y495 HydrophobicContact CB-CE2 4.03Å
489	R	86.8	Confident	91.8	Very high	122 Å²	122	44.4 Å²	44.4	46%	0.46	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.6	-178.8	-177.7	176.4	173.5	-161.1	-0.9	113	N471 V473 T518	N471-R489 HydrophobicContact CB-CB 4.49Å; N471-R489 PolarHBondContact O-N 3.08Å; V473-R489 HydrophobicContact CG2-CB 3.93Å; R489-T518 HydrophobicContact CG-CG2 4.5Å
490	F	86.8	Confident	91.5	Very high	135 Å²	135	51.1 Å²	51.1	59%	0.592	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-46.5	176.6	178.1	-91.3	0	0	0	110.7	K470 N471 D488 R492	K470-F490 HydrophobicContact CB-CB 3.66Å; K470-F490 HydrophobicContact CB-CD1 3.61Å; K470-F490 HydrophobicContact CB-CE1 4.47Å; K470-F490 HydrophobicContact CB-CG 3.76Å; K470-F490 HydrophobicContact CD-CD1 4.25Å; K470-F490 HydrophobicContact CD-CE1 4.3Å; K470-F490 HydrophobicContact CG-CD1 3.68Å; K470-F490 HydrophobicContact CG-CE1 4.1Å; K470-F490 HydrophobicContact CG-CG 4.29Å; N471-F490 HydrophobicContact CB-CB 3.95Å; D488-F490 VanDerWaalsContact C-N 3.31Å; D488-F490 PolarHBondContact O-N 3.07Å; D488-F490 WeakPolarHBondContact OD1-CB 3.46Å; D488-F490 PolarHBondContact OD1-N 3.35Å; F490-R492 VanDerWaalsContact C-N 3.31Å
491	H	85.1	Confident	91.4	Very high	87 Å²	87	52.1 Å²	52.1	40%	0.403	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.9	177.3	-65.3	117.4	0	0	0	113.6	K470 D488 K493	K470-H491 WeakPolarHBondContact CG-CE1 3.19Å; D488-H491 HydrophobicContact CB-CB 4.32Å; D488-H491 PolarHBondContact OD1-N 2.9Å; D488-H491 IonicContact OD1-ND1 3.86Å; D488-H491 IonicContact OD2-CE1 3.63Å; D488-H491 IonicContact OD2-CG 3.95Å; D488-H491 IonicContact OD2-ND1 2.86Å; D488-H491 PolarHBondContact OD2-ND1 2.79Å; H491-K493 VanDerWaalsContact C-N 3.32Å; H491-K493 HydrophobicContact CB-CG 4.31Å; H491-K493 WeakPolarHBondContact O-CG 3.34Å; H491-K493 PolarHBondContact O-N 2.93Å
492	R	90	Very high	91.3	Very high	120 Å²	120	48.4 Å²	48.4	45%	0.453	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	45.3	-170.9	-69.5	170.9	156.7	146.1	-17.3	112.2	D488 F490 L516 Q517	D488-R492 WeakPolarHBondContact O-CA 3.34Å; D488-R492 PolarHBondContact O-N 3.31Å; F490-R492 VanDerWaalsContact C-N 3.31Å; R492-L516 HydrophobicContact CB-CB 4.36Å; R492-L516 VanDerWaalsContact CD-O 3.32Å; R492-L516 WeakPolarHBondContact CD-O 3.11Å; R492-L516 WeakPolarHBondContact O-CD1 3.12Å; R492-Q517 PolarHBondContact NE-O 3.09Å
493	K	91.2	Very high	91.1	Very high	61 Å²	61	49.1 Å²	49.1	27%	0.265	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145	179.5	-54.5	-157	175.6	-167.1	0	112.5	C487 D488 H491 Y495 P510 V512 D513	C487-K493 PolarHBondContact SG-O 3.38Å; C487-K493 VanDerWaalsContact SG-O 3.35Å; D488-K493 PolarHBondContact N-O 2.86Å; D488-K493 PolarHBondContact O-N 2.78Å; H491-K493 VanDerWaalsContact C-N 3.32Å; H491-K493 HydrophobicContact CB-CG 4.31Å; H491-K493 WeakPolarHBondContact O-CG 3.34Å; H491-K493 PolarHBondContact O-N 2.93Å; K493-Y495 HydrophobicContact CB-CD2 4.25Å; K493-Y495 HydrophobicContact CB-CE2 3.67Å; K493-P510 HydrophobicContact CD-CB 4.24Å; K493-V512 VanDerWaalsContact CA-O 3.27Å; K493-V512 WeakPolarHBondContact CA-O 3.46Å; K493-V512 WeakPolarHBondContact CB-O 3.5Å; K493-D513 HydrophobicContact CD-CB 3.77Å; K493-D513 HydrophobicContact CG-CB 4.4Å
494	I	93.1	Very high	90.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127	167.9	-57.3	172.9	0	0	0	107.7	W486 C487 L511 V512 L516 L522 L531 W533	W486-I494 WeakPolarHBondContact O-CA 3.37Å; C487-I494 HydrophobicContact CB-CG1 4.21Å; I494-L511 PolarHBondContact O-N 2.86Å; I494-V512 HydrophobicContact CB-CB 4.19Å; I494-V512 HydrophobicContact CB-CG2 4.48Å; I494-V512 HydrophobicContact CD1-CB 4.17Å; I494-V512 HydrophobicContact CD1-CG2 4.17Å; I494-V512 HydrophobicContact CG1-CB 4.35Å; I494-V512 PolarHBondContact N-O 2.74Å; I494-V512 PolarHBondContact O-N 3.03Å; I494-L516 HydrophobicContact CD1-CD1 4.32Å; I494-L516 HydrophobicContact CG1-CD1 3.98Å; I494-L522 HydrophobicContact CD1-CD1 4.2Å; I494-L522 HydrophobicContact CG2-CD1 4.31Å; I494-L522 HydrophobicContact CG2-CD2 4.45Å; I494-L531 HydrophobicContact CG2-CD2 3.87Å; I494-W533 HydrophobicContact CD1-CD2 3.89Å; I494-W533 HydrophobicContact CD1-CE3 4.08Å; I494-W533 HydrophobicContact CD1-CG 4.11Å
495	Y	93.1	Very high	90.4	Very high	33 Å²	33	54 Å²	54	13%	0.129	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	159.5	-179	-68.4	-90.2	0	0	0	111.8	F485 W486 D488 K493 Q508 V509 P510	F485-Y495 WeakPolarHBondContact CA-O 3.33Å; W486-Y495 VanDerWaalsContact CZ2-CB 3.46Å; W486-Y495 HydrophobicContact CZ2-CG 4.11Å; W486-Y495 PolarHBondContact N-O 2.9Å; W486-Y495 VanDerWaalsContact N-O 3.1Å; W486-Y495 PolarHBondContact O-N 3.28Å; D488-Y495 HydrophobicContact CB-CD2 4.39Å; D488-Y495 HydrophobicContact CB-CE2 4.03Å; K493-Y495 HydrophobicContact CB-CD2 4.25Å; K493-Y495 HydrophobicContact CB-CE2 3.67Å; Y495-Q508 HydrophobicContact CD1-CB 4.38Å; Y495-V509 CarbonylContact C-O 3.54Å; Y495-V509 WeakPolarHBondContact CA-O 3.4Å; Y495-P510 HydrophobicContact CD1-CB 4.07Å; Y495-P510 HydrophobicContact CE1-CB 3.92Å
496	S	93.6	Very high	90	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.4	169	-174.6	0	0	0	0	112.2	R483 V484 F485 V509 L511	R483-S496 PolarHBondContact NE-OG 2.85Å; R483-S496 PolarHBondContact NH2-OG 3.09Å; V484-S496 VanDerWaalsContact O-CA 3.29Å; V484-S496 WeakPolarHBondContact O-CA 3.32Å; V484-S496 PolarHBondContact O-OG 3.46Å; F485-S496 WeakPolarHBondContact CD1-OG 3.47Å; F485-S496 VanDerWaalsContact CE1-OG 3.23Å; F485-S496 WeakPolarHBondContact CE1-OG 3.04Å; S496-V509 PolarHBondContact N-O 2.63Å; S496-V509 PolarHBondContact O-N 3.02Å; S496-L511 VanDerWaalsContact CB-CD1 3.45Å
497	A	93.6	Very high	89.7	Confident	5 Å²	5	62.1 Å²	62.1	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	163.1	174.7	0	0	0	0	0	110.9	R483 V484 W486 A502 Q507	R483-A497 WeakPolarHBondContact CA-O 3.36Å; V484-A497 PolarHBondContact N-O 3Å; V484-A497 PolarHBondContact O-N 2.65Å; V484-A497 VanDerWaalsContact O-N 3.14Å; W486-A497 HydrophobicContact CH2-CB 3.89Å; W486-A497 HydrophobicContact CZ3-CB 3.94Å; A497-A502 HydrophobicContact CB-CB 3.47Å; A497-A502 VanDerWaalsContact CB-CB 3.47Å; A497-Q507 WeakPolarHBondContact CB-O 3.43Å
498	F	93.8	Very high	89.6	Confident	98 Å²	98	63.1 Å²	63.1	43%	0.43	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136	168	-65	-74.8	0	0	0	110.3	R483 H500 E501 A502	R483-F498 HydrophobicContact CG-CD1 3.46Å; R483-F498 VanDerWaalsContact CG-CD1 3.46Å; R483-F498 HydrophobicContact CG-CE1 3.51Å; R483-F498 HydrophobicContact CG-CG 4.26Å; R483-F498 HydrophobicContact CG-CZ 4.34Å; F498-H500 PolarHBondContact O-N 3.19Å; F498-E501 HydrophobicContact CB-CB 4.46Å; F498-E501 PolarHBondContact O-N 2.76Å; F498-A502 WeakPolarHBondContact O-CB 2.95Å; F498-A502 PolarHBondContact O-N 3.4Å
499	I	91.4	Very high	89.6	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.026	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.5	-171.8	-69.7	165.9	0	0	0	113.3	V465 L477 N482 V484 F698	V465-I499 HydrophobicContact CG1-CG2 4.07Å; L477-I499 HydrophobicContact CD2-CD1 4.2Å; N482-I499 WeakPolarHBondContact O-CG1 3.47Å; N482-I499 PolarHBondContact O-N 2.87Å; V484-I499 HydrophobicContact CB-CG1 3.95Å; V484-I499 HydrophobicContact CG1-CG1 4.02Å; I499-F698 HydrophobicContact CD1-CD2 3.85Å; I499-F698 HydrophobicContact CD1-CE2 3.59Å
500	H	87.9	Confident	89.8	Confident	147 Å²	147	63.9 Å²	63.9	68%	0.681	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-17.6	176.9	-67	-67.2	0	0	0	114.3	F498	F498-H500 PolarHBondContact O-N 3.19Å
501	E	89.1	Confident	89.9	Confident	96 Å²	96	58.6 Å²	58.6	45%	0.449	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-17.5	-170.1	-66.9	168.7	168.3	0	0	112.2	F498 S503 D504 Q507	F498-E501 HydrophobicContact CB-CB 4.46Å; F498-E501 PolarHBondContact O-N 2.76Å; E501-S503 PolarHBondContact O-N 3.04Å; E501-D504 WeakPolarHBondContact O-CB 3.46Å; E501-D504 PolarHBondContact O-N 2.91Å; E501-Q507 HydrophobicContact CB-CB 4.33Å; E501-Q507 HydrophobicContact CB-CG 4.3Å
502	A	88.1	Confident	89.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-10.1	-177.8	0	0	0	0	0	115.6	V465 V466 V484 A497 F498 D504 Q508	V465-A502 CarbonylContact O-C 3.51Å; V466-A502 HydrophobicContact CG2-CB 3.84Å; V484-A502 HydrophobicContact CG1-CB 4.23Å; A497-A502 HydrophobicContact CB-CB 3.47Å; A497-A502 VanDerWaalsContact CB-CB 3.47Å; F498-A502 WeakPolarHBondContact O-CB 2.95Å; F498-A502 PolarHBondContact O-N 3.4Å; A502-D504 VanDerWaalsContact C-N 3.26Å; A502-Q508 PolarHBondContact O-NE2 3.23Å
503	S	88.2	Confident	89.5	Confident	66 Å²	66	53.5 Å²	53.5	46%	0.462	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.6	170.5	-174.1	0	0	0	0	112.9	V465 S467 E501	V465-S503 WeakPolarHBondContact O-CA 3.03Å; V465-S503 PolarHBondContact O-N 2.91Å; V465-S503 VanDerWaalsContact O-N 3.12Å; S467-S503 PolarHBondContact OG-O 3.15Å; S467-S503 VanDerWaalsContact OG-O 3.12Å; E501-S503 PolarHBondContact O-N 3.04Å
504	D	87.3	Confident	88.7	Confident	80 Å²	80	54 Å²	54	43%	0.428	30%	0.298	S	S	.	.	S	Bend	trans	-93.9	118.1	176.6	-172.5	-37.2	0	0	0	109.9	E501 A502 S506 Q507	E501-D504 WeakPolarHBondContact O-CB 3.46Å; E501-D504 PolarHBondContact O-N 2.91Å; A502-D504 VanDerWaalsContact C-N 3.26Å; D504-S506 PolarHBondContact O-N 3.31Å; D504-S506 VanDerWaalsContact O-N 3.13Å; D504-S506 VanDerWaalsContact OD1-CB 3.27Å; D504-S506 WeakPolarHBondContact OD1-CB 3.4Å; D504-S506 PolarHBondContact OD1-N 2.81Å; D504-S506 PolarHBondContact OD1-OG 3.44Å; D504-S506 PolarHBondContact OD2-OG 2.82Å; D504-Q507 HydrophobicContact CB-CG 4.29Å; D504-Q507 PolarHBondContact O-N 3.29Å; D504-Q507 VanDerWaalsContact O-N 3.09Å
505	P	85.3	Confident	88	Confident	75 Å²	75	58.1 Å²	58.1	49%	0.487	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-57.6	-24.3	178.9	-26.9	36.3	0	0	0	115	Q507 Q508	P505-Q507 PolarHBondContact O-N 2.84Å; P505-Q508 PolarHBondContact O-N 2.89Å
506	S	87.1	Confident	87.7	Confident	83 Å²	83	56.9 Å²	56.9	58%	0.58	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-70	-19.6	178.2	69.4	0	0	0	0	113.8	D504	D504-S506 PolarHBondContact O-N 3.31Å; D504-S506 VanDerWaalsContact O-N 3.13Å; D504-S506 VanDerWaalsContact OD1-CB 3.27Å; D504-S506 WeakPolarHBondContact OD1-CB 3.4Å; D504-S506 PolarHBondContact OD1-N 2.81Å; D504-S506 PolarHBondContact OD1-OG 3.44Å; D504-S506 PolarHBondContact OD2-OG 2.82Å
507	Q	89.3	Confident	87.4	Confident	89 Å²	89	60.6 Å²	60.6	42%	0.416	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-98.5	4.5	178.9	-52.7	-51.7	-58.1	0	0	112.7	A497 E501 D504 P505 V509	A497-Q507 WeakPolarHBondContact CB-O 3.43Å; E501-Q507 HydrophobicContact CB-CB 4.33Å; E501-Q507 HydrophobicContact CB-CG 4.3Å; D504-Q507 HydrophobicContact CB-CG 4.29Å; D504-Q507 PolarHBondContact O-N 3.29Å; D504-Q507 VanDerWaalsContact O-N 3.09Å; P505-Q507 PolarHBondContact O-N 2.84Å; Q507-V509 PolarHBondContact O-N 3.43Å
508	Q	90.4	Very high	87.1	Confident	23 Å²	23	61.7 Å²	61.7	11%	0.107	35%	0.346	C	S	.	.			trans	-91.1	93.4	179.9	-58	-178.3	4	0	0	109.9	W486 Y495 A502 P505 P510	W486-Q508 HydrophobicContact CH2-CB 4.06Å; W486-Q508 HydrophobicContact CH2-CG 3.85Å; W486-Q508 HydrophobicContact CZ2-CB 4.13Å; W486-Q508 HydrophobicContact CZ2-CG 3.97Å; Y495-Q508 HydrophobicContact CD1-CB 4.38Å; A502-Q508 PolarHBondContact O-NE2 3.23Å; P505-Q508 PolarHBondContact O-N 2.89Å; Q508-P510 WeakPolarHBondContact O-CD 3.17Å
509	V	90.6	Very high	86.9	Confident	75 Å²	75	57.1 Å²	57.1	46%	0.455	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.8	-176.6	-176.3	0	0	0	0	109.9	Y495 S496 Q507 L511	Y495-V509 CarbonylContact C-O 3.54Å; Y495-V509 WeakPolarHBondContact CA-O 3.4Å; S496-V509 PolarHBondContact N-O 2.63Å; S496-V509 PolarHBondContact O-N 3.02Å; Q507-V509 PolarHBondContact O-N 3.43Å; V509-L511 HydrophobicContact CG1-CD2 4.13Å; V509-L511 PolarHBondContact O-N 3.06Å
510	P	90.3	Very high	86.9	Confident	64 Å²	64	57.9 Å²	57.9	42%	0.416	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.3	168.7	29.8	-32	0	0	0	109.6	K493 Y495 Q508	K493-P510 HydrophobicContact CD-CB 4.24Å; Y495-P510 HydrophobicContact CD1-CB 4.07Å; Y495-P510 HydrophobicContact CE1-CB 3.92Å; Q508-P510 WeakPolarHBondContact O-CD 3.17Å
511	L	89.2	Confident	87.2	Confident	24 Å²	24	51.1 Å²	51.1	13%	0.126	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-37.3	-178.8	-61.6	179	0	0	0	112.7	F485 I494 S496 V509 V546 G548	F485-L511 HydrophobicContact CD1-CD1 3.72Å; F485-L511 HydrophobicContact CE1-CD1 3.66Å; I494-L511 PolarHBondContact O-N 2.86Å; S496-L511 VanDerWaalsContact CB-CD1 3.45Å; V509-L511 HydrophobicContact CG1-CD2 4.13Å; V509-L511 PolarHBondContact O-N 3.06Å; L511-V546 VanDerWaalsContact CD1-O 3.32Å; L511-V546 WeakPolarHBondContact CD1-O 3.44Å; L511-V546 WeakPolarHBondContact CD2-O 3.26Å; L511-G548 WeakPolarHBondContact O-CA 3.45Å
512	V	86.1	Confident	87.5	Confident	9 Å²	9	47 Å²	47	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120	174.9	-172.7	0	0	0	0	107	K493 I494 L516 W533	K493-V512 VanDerWaalsContact CA-O 3.27Å; K493-V512 WeakPolarHBondContact CA-O 3.46Å; K493-V512 WeakPolarHBondContact CB-O 3.5Å; I494-V512 HydrophobicContact CB-CB 4.19Å; I494-V512 HydrophobicContact CB-CG2 4.48Å; I494-V512 HydrophobicContact CD1-CB 4.17Å; I494-V512 HydrophobicContact CD1-CG2 4.17Å; I494-V512 HydrophobicContact CG1-CB 4.35Å; I494-V512 PolarHBondContact N-O 2.74Å; I494-V512 PolarHBondContact O-N 3.03Å; V512-L516 HydrophobicContact CB-CD1 4.1Å; V512-L516 HydrophobicContact CG1-CD1 3.72Å; V512-L516 HydrophobicContact CG1-CD2 4.32Å; V512-L516 HydrophobicContact CG1-CG 4Å; V512-W533 HydrophobicContact CG1-CH2 4.48Å; V512-W533 HydrophobicContact CG1-CZ2 4.39Å; V512-W533 HydrophobicContact CG2-CH2 4.28Å
513	D	80.6	Confident	88	Confident	91 Å²	91	47.2 Å²	47.2	49%	0.487	28%	0.284	S	S	.	.			trans	-125.2	-0.7	-167.7	76	-22.9	0	0	0	114.4	K493	K493-D513 HydrophobicContact CD-CB 3.77Å; K493-D513 HydrophobicContact CG-CB 4.4Å
514	S	75.6	Confident	88.3	Confident	70 Å²	70	44 Å²	44	49%	0.49	26%	0.262	S	S	.	.	S	Bend	trans	-148.3	149.7	-165.3	43.6	0	0	0	0	110.5	L516 R551	S514-L516 PolarHBondContact O-N 2.75Å; S514-R551 PolarHBondContact O-NH1 3.01Å
515	S	78.6	Confident	88.7	Confident	87 Å²	87	40.2 Å²	40.2	61%	0.608	24%	0.242	S	C	*	.	S	Bend	trans	49	57.2	-175.2	-60.4	0	0	0	0	113.4	R551	S515-R551 VanDerWaalsContact O-CZ 3.26Å; S515-R551 PolarHBondContact O-NH1 3.07Å; S515-R551 PolarHBondContact O-NH2 2.63Å
516	L	85.1	Confident	89.1	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.042	23%	0.225	C	C	.	.			trans	-131.6	131.6	169.6	-68.8	174.6	0	0	0	107.6	R492 I494 V512 S514 P519 W533	R492-L516 HydrophobicContact CB-CB 4.36Å; R492-L516 VanDerWaalsContact CD-O 3.32Å; R492-L516 WeakPolarHBondContact CD-O 3.11Å; R492-L516 WeakPolarHBondContact O-CD1 3.12Å; I494-L516 HydrophobicContact CD1-CD1 4.32Å; I494-L516 HydrophobicContact CG1-CD1 3.98Å; V512-L516 HydrophobicContact CB-CD1 4.1Å; V512-L516 HydrophobicContact CG1-CD1 3.72Å; V512-L516 HydrophobicContact CG1-CD2 4.32Å; V512-L516 HydrophobicContact CG1-CG 4Å; S514-L516 PolarHBondContact O-N 2.75Å; L516-P519 HydrophobicContact CB-CG 4.4Å; L516-P519 HydrophobicContact CD2-CG 4.42Å; L516-W533 HydrophobicContact CD2-CZ2 3.98Å
517	Q	87.3	Confident	89.3	Confident	78 Å²	78	35.1 Å²	35.1	36%	0.364	20%	0.201	S	C	.	.	S	Bend	trans	-105.5	-67.9	179.7	-67.9	-62.1	-14.5	0	0	111.2	R492 D535 D538	R492-Q517 PolarHBondContact NE-O 3.09Å; Q517-D535 PolarHBondContact N-OD2 3.05Å; Q517-D538 HydrophobicContact CG-CB 4.5Å; Q517-D538 VanDerWaalsContact CG-CG 3.44Å; Q517-D538 WeakPolarHBondContact CG-OD1 3.34Å
518	T	88	Confident	89.4	Confident	27 Å²	27	31.9 Å²	31.9	17%	0.166	19%	0.186	C	C	.	.			trans	-142.3	77.3	171.6	54.1	0	0	0	0	109.3	R489 V520 D535 S536 G537	R489-T518 HydrophobicContact CG-CG2 4.5Å; T518-V520 WeakPolarHBondContact O-CG2 3.45Å; T518-V520 PolarHBondContact O-N 2.89Å; T518-D535 PolarHBondContact N-OD1 3.48Å; T518-D535 PolarHBondContact N-OD2 2.95Å; T518-D535 VanDerWaalsContact N-OD2 3.16Å; T518-S536 PolarHBondContact O-N 2.94Å; T518-S536 VanDerWaalsContact O-N 3.07Å; T518-S536 PolarHBondContact OG1-OG 3.31Å; T518-G537 PolarHBondContact OG1-N 3.2Å; T518-G537 VanDerWaalsContact OG1-N 3.09Å
519	P	90.6	Very high	89.4	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.019	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	131.5	165.7	24.5	-34.4	0	0	0	110.8	C487 L516 T534 D535	C487-P519 WeakPolarHBondContact SG-CG 3.29Å; L516-P519 HydrophobicContact CB-CG 4.4Å; L516-P519 HydrophobicContact CD2-CG 4.42Å; P519-T534 CarbonylContact C-O 3.22Å; P519-T534 VanDerWaalsContact CA-O 3.27Å; P519-T534 WeakPolarHBondContact CA-O 3.45Å; P519-D535 VanDerWaalsContact CD-OD2 3.29Å; P519-D535 WeakPolarHBondContact CD-OD2 3.35Å
520	V	90.4	Very high	89.6	Confident	20 Å²	20	31.7 Å²	31.7	12%	0.121	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	-15.8	-173	-150.6	0	0	0	0	113.9	V473 T518 T534 S536 R563 Y652	V473-V520 HydrophobicContact CG1-CG1 4.11Å; T518-V520 WeakPolarHBondContact O-CG2 3.45Å; T518-V520 PolarHBondContact O-N 2.89Å; V520-T534 PolarHBondContact N-O 3.48Å; V520-S536 WeakPolarHBondContact CG2-OG 3.27Å; V520-R563 HydrophobicContact CB-CG 4.28Å; V520-R563 HydrophobicContact CG1-CG 3.82Å; V520-Y652 WeakPolarHBondContact CG1-OH 3.3Å
521	G	94.1	Very high	89.8	Confident	5 Å²	5	28.7 Å²	28.7	5%	0.052	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149	175.7	0	0	0	0	0	111.1	W533 T534 R563	G521-W533 VanDerWaalsContact O-CA 3.28Å; G521-W533 WeakPolarHBondContact O-CA 3.42Å; G521-W533 VanDerWaalsContact O-CB 3.28Å; G521-W533 WeakPolarHBondContact O-CB 3.07Å; G521-T534 WeakPolarHBondContact CA-OG1 3.39Å; G521-T534 PolarHBondContact N-OG1 3.36Å; G521-T534 PolarHBondContact O-N 2.97Å; G521-T534 VanDerWaalsContact O-N 3.12Å; G521-T534 PolarHBondContact O-OG1 3.16Å; G521-R563 WeakPolarHBondContact CA-O 3.44Å
522	L	96	Very high	90.2	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.052	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.4	-172.3	-169.1	66.9	0	0	0	109.3	A474 F485 I494 L531 W533	A474-L522 HydrophobicContact CB-CB 4.05Å; F485-L522 HydrophobicContact CB-CD2 3.88Å; I494-L522 HydrophobicContact CD1-CD1 4.2Å; I494-L522 HydrophobicContact CG2-CD1 4.31Å; I494-L522 HydrophobicContact CG2-CD2 4.45Å; L522-L531 HydrophobicContact CD1-CD1 3.88Å; L522-L531 HydrophobicContact CD1-CD2 4.13Å; L522-L531 HydrophobicContact CD1-CG 3.93Å; L522-L531 HydrophobicContact CG-CD1 4.14Å; L522-W533 HydrophobicContact CD1-CB 3.99Å
523	A	97	Very high	90.7	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.033	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	142.6	174	0	0	0	0	0	112.4	D476 Y532 I565 L567	D476-A523 WeakPolarHBondContact OD2-CA 3.39Å; A523-Y532 PolarHBondContact N-O 3.11Å; A523-Y532 PolarHBondContact O-N 2.81Å; A523-I565 HydrophobicContact CB-CG2 4.08Å; A523-L567 HydrophobicContact CB-CD1 3.75Å; A523-L567 HydrophobicContact CB-CG 3.71Å
524	L	95.9	Very high	91.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.5	-175.6	-175.8	73.9	0	0	0	112.5	D476 L477 D478 F485 W526 L531 V546	D476-L524 WeakPolarHBondContact OD2-CB 3.31Å; D476-L524 PolarHBondContact OD2-N 2.74Å; L477-L524 WeakPolarHBondContact O-CD2 3.28Å; D478-L524 HydrophobicContact CB-CD2 3.67Å; F485-L524 HydrophobicContact CD2-CD2 4.36Å; F485-L524 HydrophobicContact CE2-CD1 4.17Å; F485-L524 HydrophobicContact CE2-CD2 3.89Å; F485-L524 HydrophobicContact CZ-CD1 4.27Å; L524-W526 HydrophobicContact CD2-CB 4.48Å; L524-W526 PolarHBondContact O-N 2.82Å; L524-L531 HydrophobicContact CB-CD1 4.39Å; L524-L531 HydrophobicContact CD1-CD1 3.95Å; L524-V546 HydrophobicContact CD1-CG2 3.47Å; L524-V546 VanDerWaalsContact CD1-CG2 3.47Å
525	D	95.5	Very high	92.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	95.8	160.2	-174.4	-22.1	0	0	0	109.3	L527 Q528 H529 N530 Y532 L567 M590	D525-L527 PolarHBondContact O-N 3.03Å; D525-L527 WeakPolarHBondContact OD1-CA 3.23Å; D525-L527 WeakPolarHBondContact OD1-CB 3.43Å; D525-L527 PolarHBondContact OD1-N 3.01Å; D525-Q528 PolarHBondContact O-N 2.96Å; D525-Q528 PolarHBondContact OD1-N 2.88Å; D525-Q528 WeakPolarHBondContact OD2-CB 3.44Å; D525-Q528 VanDerWaalsContact OD2-CG 3.32Å; D525-Q528 WeakPolarHBondContact OD2-CG 3.11Å; D525-H529 VanDerWaalsContact O-CA 3.28Å; D525-H529 WeakPolarHBondContact O-CA 3.05Å; D525-H529 PolarHBondContact O-N 2.84Å; D525-N530 HydrophobicContact CB-CB 4.22Å; D525-N530 WeakPolarHBondContact CB-O 3.32Å; D525-N530 PolarHBondContact N-O 2.93Å; D525-Y532 HydrophobicContact CB-CE2 4.06Å; D525-L567 HydrophobicContact CB-CD1 4.49Å; D525-M590 HydrophobicContact CB-CE 3.76Å; D525-M590 WeakPolarHBondContact OD2-CE 3.41Å
526	W	93.6	Very high	92.9	Very high	34 Å²	34	16.2 Å²	16.2	13%	0.129	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-2.7	178.2	67.3	85.9	0	0	0	114.3	L524 P569 Q703 P704	L524-W526 HydrophobicContact CD2-CB 4.48Å; L524-W526 PolarHBondContact O-N 2.82Å; W526-P569 HydrophobicContact CD2-CG 4.15Å; W526-P569 HydrophobicContact CE3-CG 3.85Å; W526-P569 VanDerWaalsContact CH2-CD 3.43Å; W526-P569 HydrophobicContact CH2-CG 3.75Å; W526-P569 HydrophobicContact CZ2-CG 4.02Å; W526-P569 HydrophobicContact CZ3-CG 3.65Å; W526-Q703 HydrophobicContact CD2-CB 3.73Å; W526-Q703 HydrophobicContact CD2-CG 3.6Å; W526-Q703 HydrophobicContact CE3-CB 4.3Å; W526-Q703 HydrophobicContact CE3-CG 3.64Å; W526-Q703 HydrophobicContact CG-CB 3.86Å; W526-Q703 HydrophobicContact CG-CG 4.03Å; W526-Q703 HydrophobicContact CH2-CG 4.35Å; W526-Q703 HydrophobicContact CZ2-CB 4.26Å; W526-Q703 HydrophobicContact CZ2-CG 4.33Å; W526-Q703 HydrophobicContact CZ3-CG 4.03Å; W526-P704 PolarHBondContact NE1-O 2.77Å
527	L	92.1	Very high	93.1	Very high	17 Å²	17	17.7 Å²	17.7	9%	0.089	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-26.8	175.5	-60	-174.9	0	0	0	112.6	D525 P569 D708	D525-L527 PolarHBondContact O-N 3.03Å; D525-L527 WeakPolarHBondContact OD1-CA 3.23Å; D525-L527 WeakPolarHBondContact OD1-CB 3.43Å; D525-L527 PolarHBondContact OD1-N 3.01Å; L527-P569 HydrophobicContact CB-CB 4.4Å; L527-P569 HydrophobicContact CD1-CB 3.91Å; L527-P569 WeakPolarHBondContact CD1-O 3.43Å; L527-P569 HydrophobicContact CG-CB 4.02Å; L527-D708 WeakPolarHBondContact O-CB 3.32Å
528	Q	89.8	Confident	93.1	Very high	21 Å²	21	17.3 Å²	17.3	10%	0.098	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-5.7	-178.8	-51.2	-149.5	-63.1	0	0	114	D525 N530 D708 C710	D525-Q528 PolarHBondContact O-N 2.96Å; D525-Q528 PolarHBondContact OD1-N 2.88Å; D525-Q528 WeakPolarHBondContact OD2-CB 3.44Å; D525-Q528 VanDerWaalsContact OD2-CG 3.32Å; D525-Q528 WeakPolarHBondContact OD2-CG 3.11Å; Q528-N530 VanDerWaalsContact C-N 3.32Å; Q528-N530 PolarHBondContact O-N 2.79Å; Q528-D708 WeakPolarHBondContact CG-OD1 3.06Å; Q528-D708 PolarHBondContact NE2-OD1 2.78Å; Q528-C710 PolarHBondContact NE2-SG 3.2Å
529	H	91.3	Very high	93.3	Very high	83 Å²	83	19.6 Å²	19.6	38%	0.384	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	47.5	-173.9	-54.9	-66.3	0	0	0	112.6	D478 D525 V546	D478-H529 IonicContact OD2-CE1 3.8Å; D478-H529 IonicContact OD2-ND1 3.84Å; D525-H529 VanDerWaalsContact O-CA 3.28Å; D525-H529 WeakPolarHBondContact O-CA 3.05Å; D525-H529 PolarHBondContact O-N 2.84Å; H529-V546 VanDerWaalsContact C-CG2 3.48Å; H529-V546 HydrophobicContact CB-CB 4.23Å; H529-V546 HydrophobicContact CB-CG2 4.1Å; H529-V546 WeakPolarHBondContact O-CB 3.32Å; H529-V546 VanDerWaalsContact O-CG2 3.26Å; H529-V546 WeakPolarHBondContact O-CG2 3.32Å; H529-V546 PolarHBondContact O-N 2.9Å
530	N	93.8	Very high	93.5	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.053	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	144.7	169.1	-69	-49.4	0	0	0	109.6	D525 Q528 Y532 V543 S544 C724	D525-N530 HydrophobicContact CB-CB 4.22Å; D525-N530 WeakPolarHBondContact CB-O 3.32Å; D525-N530 PolarHBondContact N-O 2.93Å; Q528-N530 VanDerWaalsContact C-N 3.32Å; Q528-N530 PolarHBondContact O-N 2.79Å; N530-Y532 HydrophobicContact CB-CE2 3.84Å; N530-V543 HydrophobicContact CB-CG2 4.11Å; N530-S544 CarbonylContact C-O 3.52Å; N530-S544 VanDerWaalsContact CA-O 3.28Å; N530-S544 WeakPolarHBondContact CA-O 3.34Å; N530-C724 PolarHBondContact ND2-O 2.66Å
531	L	95.4	Very high	93.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132	-178.3	-170.8	66.6	0	0	0	109.6	F485 I494 L522 L524 V543 S544 V546	F485-L531 HydrophobicContact CD1-CD1 4.41Å; F485-L531 HydrophobicContact CD1-CD2 4.25Å; F485-L531 HydrophobicContact CG-CD1 4.43Å; I494-L531 HydrophobicContact CG2-CD2 3.87Å; L522-L531 HydrophobicContact CD1-CD1 3.88Å; L522-L531 HydrophobicContact CD1-CD2 4.13Å; L522-L531 HydrophobicContact CD1-CG 3.93Å; L522-L531 HydrophobicContact CG-CD1 4.14Å; L524-L531 HydrophobicContact CB-CD1 4.39Å; L524-L531 HydrophobicContact CD1-CD1 3.95Å; L531-V543 CarbonylContact O-C 3.58Å; L531-V543 WeakPolarHBondContact O-CA 3.47Å; L531-S544 PolarHBondContact N-O 3.07Å; L531-S544 PolarHBondContact O-N 3.02Å; L531-V546 HydrophobicContact CB-CG2 4.5Å
532	Y	97.1	Very high	93.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.8	-176	-67.5	-104.6	0	0	0	109.9	A523 D525 N530 S542 V543 L554 L567 M574 M590	A523-Y532 PolarHBondContact N-O 3.11Å; A523-Y532 PolarHBondContact O-N 2.81Å; D525-Y532 HydrophobicContact CB-CE2 4.06Å; N530-Y532 HydrophobicContact CB-CE2 3.84Å; Y532-S542 WeakPolarHBondContact CA-O 3.42Å; Y532-V543 HydrophobicContact CD1-CB 3.91Å; Y532-V543 HydrophobicContact CD1-CG2 3.9Å; Y532-V543 HydrophobicContact CD2-CG2 4.04Å; Y532-V543 HydrophobicContact CE1-CB 3.8Å; Y532-V543 HydrophobicContact CE1-CG2 3.58Å; Y532-V543 HydrophobicContact CE2-CG2 3.72Å; Y532-V543 HydrophobicContact CG-CB 4.44Å; Y532-V543 HydrophobicContact CG-CG2 4.12Å; Y532-V543 VanDerWaalsContact CZ-CG2 3.46Å; Y532-L554 HydrophobicContact CD1-CD1 4.14Å; Y532-L554 HydrophobicContact CE1-CD1 3.71Å; Y532-L567 HydrophobicContact CD1-CD2 4.38Å; Y532-L567 HydrophobicContact CD2-CD1 3.54Å; Y532-L567 HydrophobicContact CD2-CD2 4.24Å; Y532-L567 HydrophobicContact CE2-CD1 4.14Å; Y532-L567 HydrophobicContact CG-CD1 4.07Å; Y532-L567 HydrophobicContact CG-CD2 4.1Å; Y532-M574 HydrophobicContact CD1-SD 4.19Å; Y532-M574 HydrophobicContact CE1-SD 4.33Å; Y532-M590 HydrophobicContact CE1-CB 4.42Å; Y532-M590 VanDerWaalsContact CE1-O 3.28Å; Y532-M590 WeakPolarHBondContact CE1-O 3.5Å; Y532-M590 HydrophobicContact CE2-CE 3.92Å; Y532-M590 PolarHBondContact OH-O 2.78Å
533	W	96.3	Very high	93.8	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156.9	175.4	70.3	96.9	0	0	0	113.3	I494 V512 L516 G521 L522 I541 S542 R551	I494-W533 HydrophobicContact CD1-CD2 3.89Å; I494-W533 HydrophobicContact CD1-CE3 4.08Å; I494-W533 HydrophobicContact CD1-CG 4.11Å; V512-W533 HydrophobicContact CG1-CH2 4.48Å; V512-W533 HydrophobicContact CG1-CZ2 4.39Å; V512-W533 HydrophobicContact CG2-CH2 4.28Å; L516-W533 HydrophobicContact CD2-CZ2 3.98Å; G521-W533 VanDerWaalsContact O-CA 3.28Å; G521-W533 WeakPolarHBondContact O-CA 3.42Å; G521-W533 VanDerWaalsContact O-CB 3.28Å; G521-W533 WeakPolarHBondContact O-CB 3.07Å; L522-W533 HydrophobicContact CD1-CB 3.99Å; W533-I541 WeakPolarHBondContact O-CA 3Å; W533-S542 VanDerWaalsContact CE2-CB 3.46Å; W533-S542 VanDerWaalsContact CZ2-CB 3.41Å; W533-S542 PolarHBondContact N-O 3Å; W533-S542 PolarHBondContact O-N 2.72Å; W533-R551 HydrophobicContact CH2-CG 4.18Å
534	T	95.9	Very high	93.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.3	172.5	41.5	0	0	0	0	109.2	P519 V520 G521 I541 P562 R563 I565 W576	P519-T534 CarbonylContact C-O 3.22Å; P519-T534 VanDerWaalsContact CA-O 3.27Å; P519-T534 WeakPolarHBondContact CA-O 3.45Å; V520-T534 PolarHBondContact N-O 3.48Å; G521-T534 WeakPolarHBondContact CA-OG1 3.39Å; G521-T534 PolarHBondContact N-OG1 3.36Å; G521-T534 PolarHBondContact O-N 2.97Å; G521-T534 VanDerWaalsContact O-N 3.12Å; G521-T534 PolarHBondContact O-OG1 3.16Å; T534-I541 HydrophobicContact CG2-CD1 4.3Å; T534-I541 HydrophobicContact CG2-CG1 4.03Å; T534-P562 HydrophobicContact CG2-CB 4.02Å; T534-R563 WeakPolarHBondContact CB-O 3.23Å; T534-R563 PolarHBondContact OG1-O 2.99Å; T534-I565 HydrophobicContact CG2-CB 3.94Å; T534-I565 HydrophobicContact CG2-CD1 4.39Å; T534-I565 HydrophobicContact CG2-CG2 4.23Å; T534-W576 HydrophobicContact CG2-CB 4.5Å
535	D	94.3	Very high	93.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.6	170	-165.3	-51	0	0	0	109.6	Q517 T518 P519 G537 D538 K539 S540	Q517-D535 PolarHBondContact N-OD2 3.05Å; T518-D535 PolarHBondContact N-OD1 3.48Å; T518-D535 PolarHBondContact N-OD2 2.95Å; T518-D535 VanDerWaalsContact N-OD2 3.16Å; P519-D535 VanDerWaalsContact CD-OD2 3.29Å; P519-D535 WeakPolarHBondContact CD-OD2 3.35Å; D535-G537 WeakPolarHBondContact OD1-CA 3.43Å; D535-G537 PolarHBondContact OD1-N 3.38Å; D535-D538 HydrophobicContact CB-CB 4.27Å; D535-D538 PolarHBondContact OD1-N 2.77Å; D535-K539 CarbonylContact O-C 3.56Å; D535-K539 WeakPolarHBondContact O-CA 3.41Å; D535-K539 PolarHBondContact O-N 3.02Å; D535-S540 PolarHBondContact N-O 2.82Å; D535-S540 PolarHBondContact O-N 2.79Å
536	S	91.7	Very high	93.2	Very high	17 Å²	17	19.2 Å²	19.2	12%	0.119	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-16	-177.9	73.5	0	0	0	0	113.3	T518 V520 K539	T518-S536 PolarHBondContact O-N 2.94Å; T518-S536 VanDerWaalsContact O-N 3.07Å; T518-S536 PolarHBondContact OG1-OG 3.31Å; V520-S536 WeakPolarHBondContact CG2-OG 3.27Å; S536-K539 VanDerWaalsContact O-CG 3.28Å; S536-K539 WeakPolarHBondContact O-CG 3.26Å; S536-K539 PolarHBondContact O-NZ 2.95Å; S536-K539 VanDerWaalsContact O-NZ 3.07Å
537	G	88.4	Confident	92.8	Very high	40 Å²	40	22.9 Å²	22.9	41%	0.412	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-50.4	177.4	0	0	0	0	0	111.3	T518 D535 K539	T518-G537 PolarHBondContact OG1-N 3.2Å; T518-G537 VanDerWaalsContact OG1-N 3.09Å; D535-G537 WeakPolarHBondContact OD1-CA 3.43Å; D535-G537 PolarHBondContact OD1-N 3.38Å; G537-K539 PolarHBondContact O-N 3.09Å
538	D	87.9	Confident	92.4	Very high	70 Å²	70	23.1 Å²	23.1	37%	0.374	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-7.5	170.4	-76	-30.8	0	0	0	112.7	Q517 D535 S540	Q517-D538 HydrophobicContact CG-CB 4.5Å; Q517-D538 VanDerWaalsContact CG-CG 3.44Å; Q517-D538 WeakPolarHBondContact CG-OD1 3.34Å; D535-D538 HydrophobicContact CB-CB 4.27Å; D535-D538 PolarHBondContact OD1-N 2.77Å; D538-S540 VanDerWaalsContact C-N 3.3Å; D538-S540 PolarHBondContact O-N 2.93Å
539	K	92.1	Very high	92.3	Very high	74 Å²	74	27.2 Å²	27.2	32%	0.322	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	48.1	-178.6	-60	-174.1	-176.1	-50.4	0	112.2	D535 S536 G537 L559 S560 E561	D535-K539 CarbonylContact O-C 3.56Å; D535-K539 WeakPolarHBondContact O-CA 3.41Å; D535-K539 PolarHBondContact O-N 3.02Å; S536-K539 VanDerWaalsContact O-CG 3.28Å; S536-K539 WeakPolarHBondContact O-CG 3.26Å; S536-K539 PolarHBondContact O-NZ 2.95Å; S536-K539 VanDerWaalsContact O-NZ 3.07Å; G537-K539 PolarHBondContact O-N 3.09Å; K539-L559 WeakPolarHBondContact O-CD1 3.37Å; K539-S560 WeakPolarHBondContact CD-O 3.47Å; K539-S560 WeakPolarHBondContact CE-O 3.26Å; K539-S560 PolarHBondContact NZ-O 2.82Å; K539-E561 IonicContact NZ-OE1 2.76Å; K539-E561 PolarHBondContact NZ-OE1 2.91Å; K539-E561 IonicContact NZ-OE2 2.9Å
540	S	94.6	Very high	92.3	Very high	3 Å²	3	26 Å²	26	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.3	-171.2	76.5	0	0	0	0	113.8	D535 D538 I555	D535-S540 PolarHBondContact N-O 2.82Å; D535-S540 PolarHBondContact O-N 2.79Å; D538-S540 VanDerWaalsContact C-N 3.3Å; D538-S540 PolarHBondContact O-N 2.93Å; S540-I555 CarbonylContact C-O 3.45Å; S540-I555 WeakPolarHBondContact CA-O 3.22Å; S540-I555 WeakPolarHBondContact CB-O 3.34Å
541	I	96.6	Very high	92.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.8	164.5	-58.6	-179.4	0	0	0	107.2	W533 T534 L554 I555 L559 I565 M574 W576	W533-I541 WeakPolarHBondContact O-CA 3Å; T534-I541 HydrophobicContact CG2-CD1 4.3Å; T534-I541 HydrophobicContact CG2-CG1 4.03Å; I541-L554 PolarHBondContact O-N 2.94Å; I541-I555 HydrophobicContact CB-CB 4.28Å; I541-I555 HydrophobicContact CD1-CD1 4.49Å; I541-I555 PolarHBondContact N-O 3.28Å; I541-I555 PolarHBondContact O-N 2.67Å; I541-L559 HydrophobicContact CD1-CD1 4.41Å; I541-L559 HydrophobicContact CG1-CD1 3.98Å; I541-I565 HydrophobicContact CG2-CD1 3.89Å; I541-M574 HydrophobicContact CG2-CE 4.31Å; I541-M574 HydrophobicContact CG2-SD 4.32Å; I541-W576 HydrophobicContact CD1-CB 4.21Å; I541-W576 HydrophobicContact CD1-CD2 3.34Å; I541-W576 HydrophobicContact CD1-CE3 3.79Å; I541-W576 HydrophobicContact CD1-CG 3.54Å; I541-W576 HydrophobicContact CD1-CZ2 4.13Å; I541-W576 HydrophobicContact CD1-CZ3 4.36Å
542	S	95.1	Very high	92.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.1	-176.6	-68.4	0	0	0	0	111.1	Y532 W533	Y532-S542 WeakPolarHBondContact CA-O 3.42Å; W533-S542 VanDerWaalsContact CE2-CB 3.46Å; W533-S542 VanDerWaalsContact CZ2-CB 3.41Å; W533-S542 PolarHBondContact N-O 3Å; W533-S542 PolarHBondContact O-N 2.72Å
543	V	95.7	Very high	91.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.6	170.2	66	0	0	0	0	110.1	N530 L531 Y532 R551 R552 L554 L723 L725	N530-V543 HydrophobicContact CB-CG2 4.11Å; L531-V543 CarbonylContact O-C 3.58Å; L531-V543 WeakPolarHBondContact O-CA 3.47Å; Y532-V543 HydrophobicContact CD1-CB 3.91Å; Y532-V543 HydrophobicContact CD1-CG2 3.9Å; Y532-V543 HydrophobicContact CD2-CG2 4.04Å; Y532-V543 HydrophobicContact CE1-CB 3.8Å; Y532-V543 HydrophobicContact CE1-CG2 3.58Å; Y532-V543 HydrophobicContact CE2-CG2 3.72Å; Y532-V543 HydrophobicContact CG-CB 4.44Å; Y532-V543 HydrophobicContact CG-CG2 4.12Å; Y532-V543 VanDerWaalsContact CZ-CG2 3.46Å; V543-R551 CarbonylContact O-C 3.5Å; V543-R551 VanDerWaalsContact O-CA 3.31Å; V543-R551 WeakPolarHBondContact O-CA 3.37Å; V543-R552 HydrophobicContact CG1-CB 4.38Å; V543-R552 PolarHBondContact N-O 2.99Å; V543-R552 PolarHBondContact O-N 2.03Å; V543-L554 HydrophobicContact CB-CD1 3.95Å; V543-L554 HydrophobicContact CB-CG 4.26Å; V543-L554 HydrophobicContact CG1-CD1 3.85Å; V543-L554 HydrophobicContact CG1-CD2 3.82Å; V543-L554 HydrophobicContact CG1-CG 3.76Å; V543-L723 HydrophobicContact CG1-CD1 4.17Å; V543-L725 HydrophobicContact CG1-CD1 4.04Å; V543-L725 HydrophobicContact CG1-CD2 4.22Å; V543-L725 HydrophobicContact CG2-CD2 4.04Å
544	S	94.3	Very high	91.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	167.4	164.9	72.6	0	0	0	0	111.5	N530 L531 K550	N530-S544 CarbonylContact C-O 3.52Å; N530-S544 VanDerWaalsContact CA-O 3.28Å; N530-S544 WeakPolarHBondContact CA-O 3.34Å; L531-S544 PolarHBondContact N-O 3.07Å; L531-S544 PolarHBondContact O-N 3.02Å; S544-K550 CarbonylContact C-O 3.49Å; S544-K550 WeakPolarHBondContact CA-O 3.26Å; S544-K550 WeakPolarHBondContact CB-O 3.41Å
545	S	92.4	Very high	91.7	Very high	21 Å²	21	34.9 Å²	34.9	15%	0.147	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	153.1	155.2	178.8	0	0	0	0	109.8	D547 G548 K550	S545-D547 PolarHBondContact O-N 3.29Å; S545-D547 PolarHBondContact OG-N 2.9Å; S545-G548 PolarHBondContact O-N 2.83Å; S545-K550 PolarHBondContact N-O 3.1Å
546	V	89.2	Confident	91.6	Very high	10 Å²	10	39 Å²	39	6%	0.061	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.7	172.1	157.5	0	0	0	0	112.9	F485 L511 L524 H529 L531 G548	F485-V546 HydrophobicContact CE1-CG1 3.97Å; F485-V546 HydrophobicContact CE1-CG2 4.36Å; F485-V546 HydrophobicContact CZ-CG1 3.97Å; F485-V546 HydrophobicContact CZ-CG2 4.3Å; L511-V546 VanDerWaalsContact CD1-O 3.32Å; L511-V546 WeakPolarHBondContact CD1-O 3.44Å; L511-V546 WeakPolarHBondContact CD2-O 3.26Å; L524-V546 HydrophobicContact CD1-CG2 3.47Å; L524-V546 VanDerWaalsContact CD1-CG2 3.47Å; H529-V546 VanDerWaalsContact C-CG2 3.48Å; H529-V546 HydrophobicContact CB-CB 4.23Å; H529-V546 HydrophobicContact CB-CG2 4.1Å; H529-V546 WeakPolarHBondContact O-CB 3.32Å; H529-V546 VanDerWaalsContact O-CG2 3.26Å; H529-V546 WeakPolarHBondContact O-CG2 3.32Å; H529-V546 PolarHBondContact O-N 2.9Å; L531-V546 HydrophobicContact CB-CG2 4.5Å; V546-G548 VanDerWaalsContact C-N 3.27Å; V546-G548 PolarHBondContact O-N 2.89Å
547	D	84.6	Confident	91.5	Very high	110 Å²	110	41.9 Å²	41.9	59%	0.588	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	3	176.3	-59.2	-38.6	0	0	0	113.4	S545 T549	S545-D547 PolarHBondContact O-N 3.29Å; S545-D547 PolarHBondContact OG-N 2.9Å; D547-T549 HydrophobicContact CB-CG2 4.24Å; D547-T549 PolarHBondContact O-N 2.84Å
548	G	84.3	Confident	91.5	Very high	22 Å²	22	44.3 Å²	44.3	23%	0.227	25%	0.246	C	C	.	.	S	Bend	trans	71.9	-23.2	-178.4	0	0	0	0	0	115.5	L511 S545 V546 K550	L511-G548 WeakPolarHBondContact O-CA 3.45Å; S545-G548 PolarHBondContact O-N 2.83Å; V546-G548 VanDerWaalsContact C-N 3.27Å; V546-G548 PolarHBondContact O-N 2.89Å; G548-K550 PolarHBondContact O-N 2.7Å
549	T	87.9	Confident	91.5	Very high	107 Å²	107	41.9 Å²	41.9	66%	0.656	23%	0.233	S	C	*	.	S	Bend	trans	-57	-20.8	-172.7	58.8	0	0	0	0	116.6	D547	D547-T549 HydrophobicContact CB-CG2 4.24Å; D547-T549 PolarHBondContact O-N 2.84Å
550	K	91.1	Very high	91.4	Very high	59 Å²	59	39.7 Å²	39.7	26%	0.257	23%	0.227	S	C	.	.			trans	-134	133.8	-178.7	-63.9	-176.9	175.8	178.9	0	109.8	S544 S545 G548 Y722 L723	S544-K550 CarbonylContact C-O 3.49Å; S544-K550 WeakPolarHBondContact CA-O 3.26Å; S544-K550 WeakPolarHBondContact CB-O 3.41Å; S545-K550 PolarHBondContact N-O 3.1Å; G548-K550 PolarHBondContact O-N 2.7Å; K550-Y722 WeakPolarHBondContact CA-OH 3.46Å; K550-Y722 HydrophobicContact CB-CE1 4Å; K550-Y722 HydrophobicContact CB-CE2 4.07Å; K550-Y722 HydrophobicContact CD-CD2 4.18Å; K550-Y722 HydrophobicContact CD-CE2 4.31Å; K550-Y722 HydrophobicContact CD-CG 4.43Å; K550-Y722 WeakPolarHBondContact CD-O 3.49Å; K550-Y722 HydrophobicContact CG-CD2 4.14Å; K550-Y722 HydrophobicContact CG-CE2 3.77Å; K550-Y722 PolarHBondContact NZ-O 2.89Å; K550-L723 HydrophobicContact CB-CD2 3.67Å; K550-L723 HydrophobicContact CB-CG 4.02Å; K550-L723 HydrophobicContact CD-CD2 4.24Å
551	R	91.7	Very high	91.2	Very high	44 Å²	44	41.8 Å²	41.8	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	146	-177.5	175.5	177.6	172.8	166.9	0.2	111.7	S514 S515 W533 V543 Y722	S514-R551 PolarHBondContact O-NH1 3.01Å; S515-R551 VanDerWaalsContact O-CZ 3.26Å; S515-R551 PolarHBondContact O-NH1 3.07Å; S515-R551 PolarHBondContact O-NH2 2.63Å; W533-R551 HydrophobicContact CH2-CG 4.18Å; V543-R551 CarbonylContact O-C 3.5Å; V543-R551 VanDerWaalsContact O-CA 3.31Å; V543-R551 WeakPolarHBondContact O-CA 3.37Å; R551-Y722 PolarHBondContact N-OH 3.41Å; R551-Y722 WeakPolarHBondContact O-CE1 3.06Å; R551-Y722 PolarHBondContact O-OH 3.31Å
552	R	92.3	Very high	91.2	Very high	60 Å²	60	41.8 Å²	41.8	23%	0.226	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	144.1	166.5	-167.4	-168.9	175.3	83.2	-0.3	111	V543 L723 C741 P742 D743 Q745	V543-R552 HydrophobicContact CG1-CB 4.38Å; V543-R552 PolarHBondContact N-O 2.99Å; V543-R552 PolarHBondContact O-N 2.03Å; R552-L723 HydrophobicContact CB-CD1 4.08Å; R552-C741 WeakPolarHBondContact CD-O 3.42Å; R552-C741 VanDerWaalsContact CG-O 3.28Å; R552-C741 WeakPolarHBondContact CG-O 3.36Å; R552-C741 VanDerWaalsContact NH1-C 3.33Å; R552-C741 PolarHBondContact NH1-O 2.72Å; R552-P742 PolarHBondContact NH1-O 2.89Å; R552-D743 VanDerWaalsContact CG-OD1 3.3Å; R552-D743 WeakPolarHBondContact CG-OD1 3.35Å; R552-Q745 PolarHBondContact NH1-O 2.81Å
553	I	93.4	Very high	91	Very high	58 Å²	58	42.9 Å²	42.9	30%	0.297	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.7	164.6	-60.3	169.9	0	0	0	108.8	D743	I553-D743 PolarHBondContact N-OD1 3.33Å; I553-D743 PolarHBondContact N-OD2 2.39Å
554	L	94.2	Very high	91	Very high	28 Å²	28	43.7 Å²	43.7	15%	0.147	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-41.7	180	-63.7	-176.8	0	0	0	112.4	Y532 I541 V543 M574 L725	Y532-L554 HydrophobicContact CD1-CD1 4.14Å; Y532-L554 HydrophobicContact CE1-CD1 3.71Å; I541-L554 PolarHBondContact O-N 2.94Å; V543-L554 HydrophobicContact CB-CD1 3.95Å; V543-L554 HydrophobicContact CB-CG 4.26Å; V543-L554 HydrophobicContact CG1-CD1 3.85Å; V543-L554 HydrophobicContact CG1-CD2 3.82Å; V543-L554 HydrophobicContact CG1-CG 3.76Å; L554-M574 HydrophobicContact CD1-CE 4.27Å; L554-M574 HydrophobicContact CD1-SD 4.37Å; L554-L725 HydrophobicContact CD2-CD1 3.89Å
555	I	94.8	Very high	91.2	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.3	-177.1	-52.9	-178.3	0	0	0	109	S540 I541 L559 M574 W576 A588 R595	S540-I555 CarbonylContact C-O 3.45Å; S540-I555 WeakPolarHBondContact CA-O 3.22Å; S540-I555 WeakPolarHBondContact CB-O 3.34Å; I541-I555 HydrophobicContact CB-CB 4.28Å; I541-I555 HydrophobicContact CD1-CD1 4.49Å; I541-I555 PolarHBondContact N-O 3.28Å; I541-I555 PolarHBondContact O-N 2.67Å; I555-L559 HydrophobicContact CB-CD1 4.16Å; I555-L559 HydrophobicContact CG2-CD1 3.69Å; I555-L559 HydrophobicContact CG2-CG 4.05Å; I555-M574 HydrophobicContact CD1-CE 3.6Å; I555-M574 HydrophobicContact CG1-CE 4.2Å; I555-W576 HydrophobicContact CD1-CH2 3.34Å; I555-W576 HydrophobicContact CD1-CZ2 3.79Å; I555-W576 HydrophobicContact CD1-CZ3 3.99Å; I555-A588 HydrophobicContact CD1-CB 4.35Å; I555-R595 VanDerWaalsContact CG2-NH1 3.31Å
556	S	91.9	Very high	91.4	Very high	86 Å²	86	43.7 Å²	43.7	60%	0.601	25%	0.247	S	C	*	.			trans	-145.3	18.6	179.6	54.4	0	0	0	0	112.8
557	S	89.8	Confident	91.8	Very high	78 Å²	78	43.8 Å²	43.8	55%	0.545	25%	0.247	S	C	.	.	S	Bend	trans	-130.5	149.6	-178	60	0	0	0	0	110.5	L559 R595	S557-L559 PolarHBondContact O-N 2.76Å; S557-R595 PolarHBondContact O-NH1 2.91Å
558	D	87.1	Confident	92.3	Very high	92 Å²	92	38.8 Å²	38.8	49%	0.492	22%	0.22	S	C	.	.	S	Bend	trans	41.5	41.4	-173.4	-162.2	47.8	0	0	0	113.9	R582 K584 R595	D558-R582 IonicContact OD1-CZ 2.75Å; D558-R582 IonicContact OD1-NH2 2.74Å; D558-R582 PolarHBondContact OD1-NH2 2.88Å; D558-R582 IonicContact OD2-NH2 3.75Å; D558-R582 PolarHBondContact OD2-NH2 3.48Å; D558-K584 PolarHBondContact O-NZ 2.73Å; D558-K584 IonicContact OD2-NZ 3.27Å; D558-K584 PolarHBondContact OD2-NZ 3.42Å; D558-R595 PolarHBondContact O-NH2 2.79Å
559	L	89.5	Confident	92.8	Very high	18 Å²	18	37.7 Å²	37.7	9%	0.094	21%	0.209	C	C	.	.			trans	-115.4	130.2	167.9	-69	175.6	0	0	0	106.8	K539 I541 I555 S557 P562 W576 D578	K539-L559 WeakPolarHBondContact O-CD1 3.37Å; I541-L559 HydrophobicContact CD1-CD1 4.41Å; I541-L559 HydrophobicContact CG1-CD1 3.98Å; I555-L559 HydrophobicContact CB-CD1 4.16Å; I555-L559 HydrophobicContact CG2-CD1 3.69Å; I555-L559 HydrophobicContact CG2-CG 4.05Å; S557-L559 PolarHBondContact O-N 2.76Å; L559-P562 HydrophobicContact CB-CG 4.48Å; L559-P562 HydrophobicContact CD2-CB 4.44Å; L559-W576 HydrophobicContact CD2-CZ2 4.49Å; L559-D578 WeakPolarHBondContact CA-OD2 3.41Å
560	S	88.3	Confident	92.9	Very high	28 Å²	28	35.2 Å²	35.2	20%	0.196	19%	0.19	C	C	.	.	S	Bend	trans	-108.2	-65.2	178.5	-173.9	0	0	0	0	109.5	K539 D578 G580 T581	K539-S560 WeakPolarHBondContact CD-O 3.47Å; K539-S560 WeakPolarHBondContact CE-O 3.26Å; K539-S560 PolarHBondContact NZ-O 2.82Å; S560-D578 PolarHBondContact N-OD2 2.92Å; S560-G580 WeakPolarHBondContact OG-CA 3.11Å; S560-T581 PolarHBondContact OG-N 2.89Å
561	E	91.8	Very high	92.9	Very high	47 Å²	47	35.1 Å²	35.1	22%	0.22	19%	0.19	C	C	.	.	S	Bend	trans	-136.7	70.3	178.6	-61.2	-62.2	147.4	0	0	110.3	K539 R563 D578 W579	K539-E561 IonicContact NZ-OE1 2.76Å; K539-E561 PolarHBondContact NZ-OE1 2.91Å; K539-E561 IonicContact NZ-OE2 2.9Å; E561-R563 PolarHBondContact O-N 3.21Å; E561-D578 PolarHBondContact N-OD1 2.69Å; E561-W579 HydrophobicContact CB-CD2 3.88Å; E561-W579 HydrophobicContact CB-CG 4.19Å; E561-W579 HydrophobicContact CB-CH2 4.33Å; E561-W579 HydrophobicContact CB-CZ2 3.61Å; E561-W579 HydrophobicContact CG-CD2 4.46Å; E561-W579 HydrophobicContact CG-CH2 4.04Å; E561-W579 HydrophobicContact CG-CZ2 3.76Å; E561-W579 PolarHBondContact O-N 2.86Å; E561-W579 PolarHBondContact O-NE1 2.88Å; E561-W579 VanDerWaalsContact O-NE1 3.1Å
562	P	95.2	Very high	93	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	131.5	177.1	26.6	-34.5	0	0	0	110.7	T534 L559 S577	T534-P562 HydrophobicContact CG2-CB 4.02Å; L559-P562 HydrophobicContact CB-CG 4.48Å; L559-P562 HydrophobicContact CD2-CB 4.44Å; P562-S577 CarbonylContact C-O 3.52Å; P562-S577 WeakPolarHBondContact CA-O 3.2Å
563	R	92.1	Very high	93.2	Very high	24 Å²	24	30.9 Å²	30.9	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-93.4	179.3	-164.2	174	-60.5	-163.2	8.2	113	V520 G521 T534 E561 S577 N607	V520-R563 HydrophobicContact CB-CG 4.28Å; V520-R563 HydrophobicContact CG1-CG 3.82Å; G521-R563 WeakPolarHBondContact CA-O 3.44Å; T534-R563 WeakPolarHBondContact CB-O 3.23Å; T534-R563 PolarHBondContact OG1-O 2.99Å; E561-R563 PolarHBondContact O-N 3.21Å; R563-S577 PolarHBondContact N-O 2.9Å; R563-N607 WeakPolarHBondContact CD-O 3.41Å; R563-N607 WeakPolarHBondContact CD-OD1 3.37Å; R563-N607 PolarHBondContact NE-OD1 3.46Å; R563-N607 VanDerWaalsContact NH1-CG 3.28Å; R563-N607 PolarHBondContact NH1-ND2 3Å; R563-N607 PolarHBondContact NH1-OD1 2.89Å; R563-N607 PolarHBondContact NH2-OD1 3.46Å
564	A	96.1	Very high	93.4	Very high	16 Å²	16	28.1 Å²	28.1	13%	0.132	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	148.6	-174.6	0	0	0	0	0	111.7	W576 S577 N607 I609	A564-W576 CarbonylContact O-C 3.55Å; A564-W576 WeakPolarHBondContact O-CA 3.47Å; A564-W576 WeakPolarHBondContact O-CB 3.43Å; A564-S577 PolarHBondContact N-OG 3.17Å; A564-S577 PolarHBondContact O-N 3.42Å; A564-N607 WeakPolarHBondContact CB-O 3.31Å; A564-I609 HydrophobicContact CB-CB 4.48Å; A564-I609 HydrophobicContact CB-CG1 3.87Å
565	I	97.5	Very high	93.6	Very high	12 Å²	12	26.8 Å²	26.8	6%	0.062	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142	179.1	-177	166.2	0	0	0	109.8	A523 T534 I541 Y575 W576	A523-I565 HydrophobicContact CB-CG2 4.08Å; T534-I565 HydrophobicContact CG2-CB 3.94Å; T534-I565 HydrophobicContact CG2-CD1 4.39Å; T534-I565 HydrophobicContact CG2-CG2 4.23Å; I541-I565 HydrophobicContact CG2-CD1 3.89Å; I565-Y575 CarbonylContact C-O 3.54Å; I565-Y575 WeakPolarHBondContact CA-O 3.5Å; I565-W576 HydrophobicContact CB-CB 4.37Å; I565-W576 HydrophobicContact CG1-CB 4.49Å
566	A	97.3	Very high	93.7	Very high	11 Å²	11	26.4 Å²	26.4	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.1	178.1	0	0	0	0	0	110.6	Y575 I609	A566-Y575 PolarHBondContact N-O 3.01Å; A566-Y575 PolarHBondContact O-N 2.92Å; A566-I609 HydrophobicContact CB-CD1 3.93Å; A566-I609 HydrophobicContact CB-CG1 4.03Å
567	L	96.4	Very high	93.9	Very high	11 Å²	11	22.3 Å²	22.3	6%	0.058	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149	-173.6	-57.5	173.6	0	0	0	111.7	A523 D525 Y532 P569 M574 M590 L611	A523-L567 HydrophobicContact CB-CD1 3.75Å; A523-L567 HydrophobicContact CB-CG 3.71Å; D525-L567 HydrophobicContact CB-CD1 4.49Å; Y532-L567 HydrophobicContact CD1-CD2 4.38Å; Y532-L567 HydrophobicContact CD2-CD1 3.54Å; Y532-L567 HydrophobicContact CD2-CD2 4.24Å; Y532-L567 HydrophobicContact CE2-CD1 4.14Å; Y532-L567 HydrophobicContact CG-CD1 4.07Å; Y532-L567 HydrophobicContact CG-CD2 4.1Å; L567-P569 VanDerWaalsContact C-CD 3.49Å; L567-P569 HydrophobicContact CB-CG 4.16Å; L567-P569 WeakPolarHBondContact O-CD 3.33Å; L567-M574 HydrophobicContact CD2-CB 3.43Å; L567-M574 VanDerWaalsContact CD2-CB 3.43Å; L567-M590 HydrophobicContact CB-CE 4.38Å; L567-M590 HydrophobicContact CD1-CE 4.19Å; L567-M590 HydrophobicContact CD2-CE 4.27Å; L567-M590 HydrophobicContact CD2-CG 4.32Å; L567-L611 VanDerWaalsContact O-CD2 3.26Å; L567-L611 WeakPolarHBondContact O-CD2 3.17Å
568	D	95.7	Very high	94.2	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.027	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	81.7	163	-177.8	-16.8	0	0	0	108.6	H570 H571 G572 F573 Y575 L611	D568-H570 PolarHBondContact O-N 3.3Å; D568-H570 VanDerWaalsContact O-N 3.13Å; D568-H570 PolarHBondContact OD1-N 2.99Å; D568-H571 PolarHBondContact O-N 3.19Å; D568-H571 IonicContact OD1-CE1 3.95Å; D568-H571 IonicContact OD1-CG 3.63Å; D568-H571 PolarHBondContact OD1-N 3.33Å; D568-H571 IonicContact OD1-ND1 2.89Å; D568-H571 PolarHBondContact OD1-ND1 2.84Å; D568-H571 IonicContact OD2-CE1 3.84Å; D568-H571 IonicContact OD2-CG 3.48Å; D568-H571 IonicContact OD2-ND1 2.79Å; D568-H571 PolarHBondContact OD2-ND1 2.95Å; D568-G572 PolarHBondContact O-N 3.32Å; D568-F573 HydrophobicContact CB-CB 4.48Å; D568-F573 PolarHBondContact N-O 3.38Å; D568-F573 PolarHBondContact O-N 2.99Å; D568-Y575 HydrophobicContact CB-CE2 4.05Å; D568-L611 HydrophobicContact CB-CD2 3.78Å
569	P	93.9	Very high	94.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.4	179.3	-24.5	37	0	0	0	113.9	W526 L527 L567 M590 K726	W526-P569 HydrophobicContact CD2-CG 4.15Å; W526-P569 HydrophobicContact CE3-CG 3.85Å; W526-P569 VanDerWaalsContact CH2-CD 3.43Å; W526-P569 HydrophobicContact CH2-CG 3.75Å; W526-P569 HydrophobicContact CZ2-CG 4.02Å; W526-P569 HydrophobicContact CZ3-CG 3.65Å; L527-P569 HydrophobicContact CB-CB 4.4Å; L527-P569 HydrophobicContact CD1-CB 3.91Å; L527-P569 WeakPolarHBondContact CD1-O 3.43Å; L527-P569 HydrophobicContact CG-CB 4.02Å; L567-P569 VanDerWaalsContact C-CD 3.49Å; L567-P569 HydrophobicContact CB-CG 4.16Å; L567-P569 WeakPolarHBondContact O-CD 3.33Å; P569-M590 HydrophobicContact CB-CE 4.42Å; P569-M590 HydrophobicContact CG-CE 4.32Å; P569-K726 WeakPolarHBondContact O-CD 3.02Å; P569-K726 WeakPolarHBondContact O-CE 3.03Å; P569-K726 PolarHBondContact O-NZ 2.97Å
570	H	91.4	Very high	94.2	Very high	55 Å²	55	17.8 Å²	17.8	26%	0.255	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-47.1	175.4	-81.7	-88.7	0	0	0	111	D568 P704 P705 K726	D568-H570 PolarHBondContact O-N 3.3Å; D568-H570 VanDerWaalsContact O-N 3.13Å; D568-H570 PolarHBondContact OD1-N 2.99Å; H570-P704 PolarHBondContact NE2-O 3.48Å; H570-P705 PolarHBondContact CE1-O 3Å; H570-K726 WeakPolarHBondContact O-CE 3.35Å; H570-K726 PolarHBondContact O-NZ 3.04Å
571	H	91.7	Very high	93.6	Very high	56 Å²	56	22.7 Å²	22.7	26%	0.259	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.6	-178.9	-53.5	91	0	0	0	114.4	D568 F573 R616 Q729	D568-H571 PolarHBondContact O-N 3.19Å; D568-H571 IonicContact OD1-CE1 3.95Å; D568-H571 IonicContact OD1-CG 3.63Å; D568-H571 PolarHBondContact OD1-N 3.33Å; D568-H571 IonicContact OD1-ND1 2.89Å; D568-H571 PolarHBondContact OD1-ND1 2.84Å; D568-H571 IonicContact OD2-CE1 3.84Å; D568-H571 IonicContact OD2-CG 3.48Å; D568-H571 IonicContact OD2-ND1 2.79Å; D568-H571 PolarHBondContact OD2-ND1 2.95Å; H571-F573 HydrophobicContact CB-CD2 3.81Å; H571-F573 HydrophobicContact CB-CE2 4.22Å; H571-R616 PolarHBondContact CD2-NH2 3.3Å; H571-R616 VanDerWaalsContact CD2-NH2 3.28Å; H571-R616 PolarHBondContact CE1-NE 3.33Å; H571-R616 VanDerWaalsContact CE1-NE 3.33Å; H571-R616 PolarHBondContact CE1-NH2 2.91Å; H571-R616 PolarHBondContact NE2-NH2 3.31Å; H571-R616 VanDerWaalsContact NE2-NH2 3.15Å; H571-Q729 WeakPolarHBondContact O-CB 3.38Å; H571-Q729 WeakPolarHBondContact O-CG 3.48Å; H571-Q729 PolarHBondContact O-N 2.99Å
572	G	93.8	Very high	93.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	32.7	176.4	0	0	0	0	0	114.2	D568 G589 M590	D568-G572 PolarHBondContact O-N 3.32Å; G572-G589 CarbonylContact O-C 3.59Å; G572-G589 WeakPolarHBondContact O-CA 3.48Å; G572-M590 PolarHBondContact O-N 3.03Å
573	F	96	Very high	92.9	Very high	15 Å²	15	28.5 Å²	28.5	7%	0.066	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.1	178.6	-69.5	-79.3	0	0	0	112.4	D568 H571 Y575 K587 A588 M590 P728 I730	D568-F573 HydrophobicContact CB-CB 4.48Å; D568-F573 PolarHBondContact N-O 3.38Å; D568-F573 PolarHBondContact O-N 2.99Å; H571-F573 HydrophobicContact CB-CD2 3.81Å; H571-F573 HydrophobicContact CB-CE2 4.22Å; F573-Y575 HydrophobicContact CB-CE2 3.88Å; F573-K587 HydrophobicContact CD1-CD 4.28Å; F573-K587 HydrophobicContact CD1-CG 4.11Å; F573-A588 CarbonylContact C-O 3.57Å; F573-A588 VanDerWaalsContact CA-O 3.3Å; F573-A588 WeakPolarHBondContact CA-O 3.24Å; F573-A588 WeakPolarHBondContact CD1-O 3.36Å; F573-M590 VanDerWaalsContact C-CG 3.46Å; F573-P728 HydrophobicContact CD1-CB 3.86Å; F573-P728 HydrophobicContact CE1-CB 3.34Å; F573-P728 HydrophobicContact CE2-CB 4.19Å; F573-P728 HydrophobicContact CG-CB 4.49Å; F573-P728 HydrophobicContact CZ-CB 3.54Å; F573-I730 HydrophobicContact CZ-CG1 4.14Å
574	M	96.8	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148.1	168.4	66	-177.1	-173.8	0	0	110.2	Y532 I541 L554 I555 L567 W576 K587 A588 M590	Y532-M574 HydrophobicContact CD1-SD 4.19Å; Y532-M574 HydrophobicContact CE1-SD 4.33Å; I541-M574 HydrophobicContact CG2-CE 4.31Å; I541-M574 HydrophobicContact CG2-SD 4.32Å; L554-M574 HydrophobicContact CD1-CE 4.27Å; L554-M574 HydrophobicContact CD1-SD 4.37Å; I555-M574 HydrophobicContact CD1-CE 3.6Å; I555-M574 HydrophobicContact CG1-CE 4.2Å; L567-M574 HydrophobicContact CD2-CB 3.43Å; L567-M574 VanDerWaalsContact CD2-CB 3.43Å; M574-W576 HydrophobicContact CE-CZ3 4.03Å; M574-W576 HydrophobicContact CG-CE3 4.34Å; M574-W576 HydrophobicContact CG-CZ3 4.1Å; M574-K587 CarbonylContact O-C 3.59Å; M574-K587 WeakPolarHBondContact O-CA 3.37Å; M574-A588 HydrophobicContact CE-CB 3.99Å; M574-A588 HydrophobicContact CG-CB 4.36Å; M574-A588 PolarHBondContact N-O 3.49Å; M574-A588 PolarHBondContact O-N 3.21Å; M574-M590 HydrophobicContact CB-CG 4.22Å
575	Y	97.8	Very high	93	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.8	-178.8	-54.2	-96.5	0	0	0	108.1	I565 A566 D568 F573 E586 K587 L598 I609 L618 L633	I565-Y575 CarbonylContact C-O 3.54Å; I565-Y575 WeakPolarHBondContact CA-O 3.5Å; A566-Y575 PolarHBondContact N-O 3.01Å; A566-Y575 PolarHBondContact O-N 2.92Å; D568-Y575 HydrophobicContact CB-CE2 4.05Å; F573-Y575 HydrophobicContact CB-CE2 3.88Å; Y575-E586 VanDerWaalsContact CA-O 3.29Å; Y575-E586 WeakPolarHBondContact CA-O 3.4Å; Y575-K587 HydrophobicContact CD1-CB 3.97Å; Y575-K587 HydrophobicContact CD1-CD 4.36Å; Y575-K587 HydrophobicContact CD1-CG 3.91Å; Y575-K587 HydrophobicContact CE1-CB 4.07Å; Y575-K587 HydrophobicContact CE1-CD 3.6Å; Y575-K587 HydrophobicContact CE1-CG 3.56Å; Y575-K587 WeakPolarHBondContact OH-CE 3.36Å; Y575-L598 HydrophobicContact CD1-CD2 4.06Å; Y575-L598 HydrophobicContact CE1-CD2 4.3Å; Y575-I609 WeakPolarHBondContact O-CD1 3.34Å; Y575-L618 HydrophobicContact CD1-CD2 4.27Å; Y575-L618 HydrophobicContact CG-CD1 4.35Å; Y575-L633 HydrophobicContact CE1-CB 4.45Å; Y575-L633 HydrophobicContact CE1-CD2 3.83Å; Y575-L633 HydrophobicContact CE2-CD2 4.3Å
576	W	97.7	Very high	92.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	160.6	174.9	66.5	93.4	0	0	0	112	T534 I541 I555 L559 A564 I565 M574 I585 E586 A588 R595	T534-W576 HydrophobicContact CG2-CB 4.5Å; I541-W576 HydrophobicContact CD1-CB 4.21Å; I541-W576 HydrophobicContact CD1-CD2 3.34Å; I541-W576 HydrophobicContact CD1-CE3 3.79Å; I541-W576 HydrophobicContact CD1-CG 3.54Å; I541-W576 HydrophobicContact CD1-CZ2 4.13Å; I541-W576 HydrophobicContact CD1-CZ3 4.36Å; I555-W576 HydrophobicContact CD1-CH2 3.34Å; I555-W576 HydrophobicContact CD1-CZ2 3.79Å; I555-W576 HydrophobicContact CD1-CZ3 3.99Å; L559-W576 HydrophobicContact CD2-CZ2 4.49Å; A564-W576 CarbonylContact O-C 3.55Å; A564-W576 WeakPolarHBondContact O-CA 3.47Å; A564-W576 WeakPolarHBondContact O-CB 3.43Å; I565-W576 HydrophobicContact CB-CB 4.37Å; I565-W576 HydrophobicContact CG1-CB 4.49Å; M574-W576 HydrophobicContact CE-CZ3 4.03Å; M574-W576 HydrophobicContact CG-CE3 4.34Å; M574-W576 HydrophobicContact CG-CZ3 4.1Å; W576-I585 WeakPolarHBondContact O-CA 3.48Å; W576-E586 HydrophobicContact CD2-CB 4.01Å; W576-E586 VanDerWaalsContact CE2-CB 3.45Å; W576-E586 HydrophobicContact CE3-CB 4.44Å; W576-E586 HydrophobicContact CH2-CB 3.9Å; W576-E586 HydrophobicContact CZ2-CB 3.41Å; W576-E586 VanDerWaalsContact CZ2-CB 3.41Å; W576-E586 HydrophobicContact CZ2-CG 4.19Å; W576-E586 WeakPolarHBondContact CZ2-OE2 3.45Å; W576-E586 HydrophobicContact CZ3-CB 4.38Å; W576-E586 PolarHBondContact N-O 2.92Å; W576-E586 VanDerWaalsContact N-O 3.1Å; W576-E586 PolarHBondContact NE1-OE2 3.06Å; W576-E586 PolarHBondContact O-N 2.97Å; W576-A588 HydrophobicContact CH2-CB 3.8Å; W576-A588 HydrophobicContact CZ3-CB 3.71Å; W576-R595 HydrophobicContact CH2-CG 4.04Å; W576-R595 HydrophobicContact CZ2-CG 4.36Å
577	S	96.9	Very high	92.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	144.9	168.4	64.8	0	0	0	0	112.1	P562 R563 A564 P606	P562-S577 CarbonylContact C-O 3.52Å; P562-S577 WeakPolarHBondContact CA-O 3.2Å; R563-S577 PolarHBondContact N-O 2.9Å; A564-S577 PolarHBondContact N-OG 3.17Å; A564-S577 PolarHBondContact O-N 3.42Å; S577-P606 WeakPolarHBondContact CB-O 3.48Å; S577-P606 PolarHBondContact OG-O 2.82Å
578	D	95.1	Very high	92.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128	168.5	-172.4	-24.5	0	0	0	107.4	L559 S560 E561 G580 A583 K584	L559-D578 WeakPolarHBondContact CA-OD2 3.41Å; S560-D578 PolarHBondContact N-OD2 2.92Å; E561-D578 PolarHBondContact N-OD1 2.69Å; D578-G580 PolarHBondContact OD1-N 2.05Å; D578-A583 CarbonylContact O-C 3.6Å; D578-A583 WeakPolarHBondContact O-CA 3.02Å; D578-K584 HydrophobicContact CB-CG 4.02Å; D578-K584 PolarHBondContact N-O 2.93Å; D578-K584 PolarHBondContact O-N 3.16Å
579	W	91.6	Very high	92.9	Very high	73 Å²	73	26.7 Å²	26.7	28%	0.277	13%	0.131	S	C	.	.			trans	-111.9	12.9	-177.4	62.6	-83.9	0	0	0	112.7	E561 W605 P606	E561-W579 HydrophobicContact CB-CD2 3.88Å; E561-W579 HydrophobicContact CB-CG 4.19Å; E561-W579 HydrophobicContact CB-CH2 4.33Å; E561-W579 HydrophobicContact CB-CZ2 3.61Å; E561-W579 HydrophobicContact CG-CD2 4.46Å; E561-W579 HydrophobicContact CG-CH2 4.04Å; E561-W579 HydrophobicContact CG-CZ2 3.76Å; E561-W579 PolarHBondContact O-N 2.86Å; E561-W579 PolarHBondContact O-NE1 2.88Å; E561-W579 VanDerWaalsContact O-NE1 3.1Å; W579-W605 HydrophobicContact CB-CG 4.46Å; W579-W605 AromaticContact CD2-CD1 3.72Å; W579-W605 AromaticContact CD2-NE1 3.23Å; W579-W605 AromaticContact CE2-NE1 3.9Å; W579-W605 AromaticContact CE3-CD1 3.85Å; W579-W605 AromaticContact CE3-CE2 3.74Å; W579-W605 HydrophobicContact CE3-CZ2 4.14Å; W579-W605 AromaticContact CE3-NE1 3.27Å; W579-W605 VanDerWaalsContact CE3-NE1 3.27Å; W579-W605 AromaticContact CG-CD1 3.55Å; W579-W605 AromaticContact CG-NE1 3.54Å; W579-W605 HydrophobicContact CH2-CZ2 4.48Å; W579-W605 HydrophobicContact CZ3-CZ2 4Å; W579-W605 AromaticContact CZ3-NE1 3.98Å; W579-P606 HydrophobicContact CB-CG 4.31Å
580	G	85.9	Confident	93	Very high	18 Å²	18	26.7 Å²	26.7	19%	0.186	13%	0.131	C	C	.	.	S	Bend	trans	-77.8	-148.2	-179.2	0	0	0	0	0	114	S560 D578 R582 A583	S560-G580 WeakPolarHBondContact OG-CA 3.11Å; D578-G580 PolarHBondContact OD1-N 2.05Å; G580-R582 CarbonylContact O-C 3.49Å; G580-R582 PolarHBondContact O-N 2.88Å; G580-A583 PolarHBondContact O-N 2.98Å
581	T	74.8	Confident	93	Very high	131 Å²	131	25 Å²	25	80%	0.804	12%	0.124	S	C	*	.	S	Bend	trans	-57.7	-16.1	-167.9	56.9	0	0	0	0	116	S560	S560-T581 PolarHBondContact OG-N 2.89Å
582	R	81.6	Confident	93.1	Very high	151 Å²	151	23.3 Å²	23.3	57%	0.57	12%	0.122	S	C	*	.	S	Bend	trans	-140.9	97.1	166.3	-62.7	-177.9	-64.1	134	3.6	107.7	D558 G580 K584	D558-R582 IonicContact OD1-CZ 2.75Å; D558-R582 IonicContact OD1-NH2 2.74Å; D558-R582 PolarHBondContact OD1-NH2 2.88Å; D558-R582 IonicContact OD2-NH2 3.75Å; D558-R582 PolarHBondContact OD2-NH2 3.48Å; G580-R582 CarbonylContact O-C 3.49Å; G580-R582 PolarHBondContact O-N 2.88Å; R582-K584 PolarHBondContact O-N 3.15Å
583	A	90.3	Very high	92.9	Very high	17 Å²	17	26.9 Å²	26.9	14%	0.14	14%	0.143	C	C	.	.			trans	-59.6	133.9	179.6	0	0	0	0	0	111.3	D578 G580 I603 E604	D578-A583 CarbonylContact O-C 3.6Å; D578-A583 WeakPolarHBondContact O-CA 3.02Å; G580-A583 PolarHBondContact O-N 2.98Å; A583-I603 HydrophobicContact CB-CG2 4.45Å; A583-I603 WeakPolarHBondContact CB-O 3.42Å; A583-E604 VanDerWaalsContact CB-O 3.26Å; A583-E604 WeakPolarHBondContact CB-O 3.04Å
584	K	94.3	Very high	92.6	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.035	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	151.7	-174.5	56.3	-176.5	178.8	161.3	0	112.2	D558 D578 R582 E586 V597 V599	D558-K584 PolarHBondContact O-NZ 2.73Å; D558-K584 IonicContact OD2-NZ 3.27Å; D558-K584 PolarHBondContact OD2-NZ 3.42Å; D578-K584 HydrophobicContact CB-CG 4.02Å; D578-K584 PolarHBondContact N-O 2.93Å; D578-K584 PolarHBondContact O-N 3.16Å; R582-K584 PolarHBondContact O-N 3.15Å; K584-E586 HydrophobicContact CB-CG 4.45Å; K584-E586 HydrophobicContact CD-CG 3.77Å; K584-E586 WeakPolarHBondContact CE-OE2 3.26Å; K584-E586 HydrophobicContact CG-CG 4Å; K584-E586 IonicContact NZ-OE1 2.86Å; K584-E586 PolarHBondContact NZ-OE1 2.82Å; K584-E586 IonicContact NZ-OE2 2.69Å; K584-E586 PolarHBondContact NZ-OE2 3.01Å; K584-V597 HydrophobicContact CB-CG1 4.18Å; K584-V599 WeakPolarHBondContact CA-O 3.06Å
585	I	97.3	Very high	92.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.1	159.4	-68	163.9	0	0	0	107.2	W576 L598 V599 I603 I609 L618 W620	W576-I585 WeakPolarHBondContact O-CA 3.48Å; I585-L598 HydrophobicContact CG2-CB 4.34Å; I585-L598 HydrophobicContact CG2-CD2 4.22Å; I585-L598 WeakPolarHBondContact O-CB 3.46Å; I585-L598 PolarHBondContact O-N 2.87Å; I585-V599 HydrophobicContact CB-CB 4.15Å; I585-V599 HydrophobicContact CB-CG2 4.34Å; I585-V599 HydrophobicContact CD1-CG2 4.45Å; I585-V599 PolarHBondContact N-O 2.76Å; I585-V599 PolarHBondContact O-N 2.99Å; I585-V599 VanDerWaalsContact O-N 3.11Å; I585-I603 HydrophobicContact CD1-CD1 3.84Å; I585-I603 HydrophobicContact CG1-CD1 3.76Å; I585-I609 HydrophobicContact CD1-CG2 4.48Å; I585-L618 HydrophobicContact CG2-CD2 3.7Å; I585-W620 HydrophobicContact CD1-CB 3.95Å; I585-W620 HydrophobicContact CD1-CD2 3.58Å; I585-W620 HydrophobicContact CD1-CE3 4Å; I585-W620 HydrophobicContact CD1-CG 3.58Å
586	E	95.9	Very high	92.3	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	162.6	-176.8	-66.9	-174.4	110.2	0	0	111.5	Y575 W576 K584 R595 Q596 V597	Y575-E586 VanDerWaalsContact CA-O 3.29Å; Y575-E586 WeakPolarHBondContact CA-O 3.4Å; W576-E586 HydrophobicContact CD2-CB 4.01Å; W576-E586 VanDerWaalsContact CE2-CB 3.45Å; W576-E586 HydrophobicContact CE3-CB 4.44Å; W576-E586 HydrophobicContact CH2-CB 3.9Å; W576-E586 HydrophobicContact CZ2-CB 3.41Å; W576-E586 VanDerWaalsContact CZ2-CB 3.41Å; W576-E586 HydrophobicContact CZ2-CG 4.19Å; W576-E586 WeakPolarHBondContact CZ2-OE2 3.45Å; W576-E586 HydrophobicContact CZ3-CB 4.38Å; W576-E586 PolarHBondContact N-O 2.92Å; W576-E586 VanDerWaalsContact N-O 3.1Å; W576-E586 PolarHBondContact NE1-OE2 3.06Å; W576-E586 PolarHBondContact O-N 2.97Å; K584-E586 HydrophobicContact CB-CG 4.45Å; K584-E586 HydrophobicContact CD-CG 3.77Å; K584-E586 WeakPolarHBondContact CE-OE2 3.26Å; K584-E586 HydrophobicContact CG-CG 4Å; K584-E586 IonicContact NZ-OE1 2.86Å; K584-E586 PolarHBondContact NZ-OE1 2.82Å; K584-E586 IonicContact NZ-OE2 2.69Å; K584-E586 PolarHBondContact NZ-OE2 3.01Å; E586-R595 VanDerWaalsContact CD-NH2 3.28Å; E586-R595 IonicContact OE1-CZ 2.76Å; E586-R595 VanDerWaalsContact OE1-CZ 3.29Å; E586-R595 IonicContact OE1-NE 3.24Å; E586-R595 PolarHBondContact OE1-NE 2.64Å; E586-R595 IonicContact OE1-NH2 3.66Å; E586-R595 PolarHBondContact OE1-NH2 3.44Å; E586-R595 IonicContact OE2-CZ 3.07Å; E586-R595 IonicContact OE2-NE 3.12Å; E586-R595 IonicContact OE2-NH2 2.68Å; E586-R595 PolarHBondContact OE2-NH2 2.04Å; E586-Q596 WeakPolarHBondContact CA-O 3.01Å; E586-V597 HydrophobicContact CG-CG2 4.28Å
587	K	95.8	Very high	92.1	Very high	29 Å²	29	40.5 Å²	40.5	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.2	-180	179	-175.2	-175.6	-179.8	0	108.6	F573 M574 Y575 R595 Q596 L633	F573-K587 HydrophobicContact CD1-CD 4.28Å; F573-K587 HydrophobicContact CD1-CG 4.11Å; M574-K587 CarbonylContact O-C 3.59Å; M574-K587 WeakPolarHBondContact O-CA 3.37Å; Y575-K587 HydrophobicContact CD1-CB 3.97Å; Y575-K587 HydrophobicContact CD1-CD 4.36Å; Y575-K587 HydrophobicContact CD1-CG 3.91Å; Y575-K587 HydrophobicContact CE1-CB 4.07Å; Y575-K587 HydrophobicContact CE1-CD 3.6Å; Y575-K587 HydrophobicContact CE1-CG 3.56Å; Y575-K587 WeakPolarHBondContact OH-CE 3.36Å; K587-R595 CarbonylContact O-C 3.56Å; K587-R595 VanDerWaalsContact O-CA 3.3Å; K587-R595 WeakPolarHBondContact O-CA 3.29Å; K587-Q596 PolarHBondContact N-O 3.36Å; K587-Q596 PolarHBondContact O-N 2.96Å; K587-L633 PolarHBondContact NZ-O 3.06Å
588	A	96.6	Very high	92	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	171.4	166.6	0	0	0	0	0	110.4	I555 F573 M574 W576 R595	I555-A588 HydrophobicContact CD1-CB 4.35Å; F573-A588 CarbonylContact C-O 3.57Å; F573-A588 VanDerWaalsContact CA-O 3.3Å; F573-A588 WeakPolarHBondContact CA-O 3.24Å; F573-A588 WeakPolarHBondContact CD1-O 3.36Å; M574-A588 HydrophobicContact CE-CB 3.99Å; M574-A588 HydrophobicContact CG-CB 4.36Å; M574-A588 PolarHBondContact N-O 3.49Å; M574-A588 PolarHBondContact O-N 3.21Å; W576-A588 HydrophobicContact CH2-CB 3.8Å; W576-A588 HydrophobicContact CZ3-CB 3.71Å; A588-R595 HydrophobicContact CB-CB 4.18Å
589	G	95.7	Very high	92	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	151.9	162.6	0	0	0	0	0	111.8	G572 N591 G592 V593	G572-G589 CarbonylContact O-C 3.59Å; G572-G589 WeakPolarHBondContact O-CA 3.48Å; G589-N591 PolarHBondContact O-N 3.37Å; G589-N591 VanDerWaalsContact O-N 3.09Å; G589-G592 PolarHBondContact O-N 3.22Å; G589-V593 PolarHBondContact N-O 2.91Å
590	M	95.6	Very high	92	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.7	176.8	-71.5	173.4	68.2	0	0	113.8	D525 Y532 L567 P569 G572 F573 M574	D525-M590 HydrophobicContact CB-CE 3.76Å; D525-M590 WeakPolarHBondContact OD2-CE 3.41Å; Y532-M590 HydrophobicContact CE1-CB 4.42Å; Y532-M590 VanDerWaalsContact CE1-O 3.28Å; Y532-M590 WeakPolarHBondContact CE1-O 3.5Å; Y532-M590 HydrophobicContact CE2-CE 3.92Å; Y532-M590 PolarHBondContact OH-O 2.78Å; L567-M590 HydrophobicContact CB-CE 4.38Å; L567-M590 HydrophobicContact CD1-CE 4.19Å; L567-M590 HydrophobicContact CD2-CE 4.27Å; L567-M590 HydrophobicContact CD2-CG 4.32Å; P569-M590 HydrophobicContact CB-CE 4.42Å; P569-M590 HydrophobicContact CG-CE 4.32Å; G572-M590 PolarHBondContact O-N 3.03Å; F573-M590 VanDerWaalsContact C-CG 3.46Å; M574-M590 HydrophobicContact CB-CG 4.22Å
591	N	92.8	Very high	92.2	Very high	20 Å²	20	48.7 Å²	48.7	11%	0.107	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	5.7	169	64.1	-9.7	0	0	0	113.6	G589 V593 L725 K726 P728 T738	G589-N591 PolarHBondContact O-N 3.37Å; G589-N591 VanDerWaalsContact O-N 3.09Å; N591-V593 WeakPolarHBondContact OD1-CG2 3.27Å; N591-V593 PolarHBondContact OD1-N 2.89Å; N591-L725 HydrophobicContact CB-CB 3.92Å; N591-L725 HydrophobicContact CB-CD1 4.46Å; N591-K726 PolarHBondContact N-O 3.27Å; N591-P728 WeakPolarHBondContact OD1-CD 3.32Å; N591-T738 VanDerWaalsContact CB-OG1 3.25Å; N591-T738 WeakPolarHBondContact CB-OG1 3.35Å; N591-T738 PolarHBondContact ND2-OG1 3.08Å
592	G	92.4	Very high	92.7	Very high	21 Å²	21	48.5 Å²	48.5	22%	0.216	25%	0.253	C	S	.	.	S	Bend	trans	84.2	-0.3	179.3	0	0	0	0	0	116.2	G589	G589-G592 PolarHBondContact O-N 3.22Å
593	V	90	Very high	93.2	Very high	74 Å²	74	41.7 Å²	41.7	45%	0.448	23%	0.227	S	C	.	.			trans	-91.8	170.7	179.4	-41.2	0	0	0	0	112.1	G589 N591 R595 P728	G589-V593 PolarHBondContact N-O 2.91Å; N591-V593 WeakPolarHBondContact OD1-CG2 3.27Å; N591-V593 PolarHBondContact OD1-N 2.89Å; V593-R595 PolarHBondContact O-N 3.2Å; V593-P728 HydrophobicContact CG2-CG 3.9Å
594	D	90.8	Very high	93.1	Very high	58 Å²	58	46.5 Å²	46.5	31%	0.31	25%	0.247	S	C	.	.	S	Bend	trans	54.4	46.2	177.3	-167.4	37.1	0	0	0	113.9	Q596 P728 I730	D594-Q596 VanDerWaalsContact CG-NE2 3.34Å; D594-Q596 PolarHBondContact O-N 2.79Å; D594-Q596 PolarHBondContact OD1-NE2 2.76Å; D594-Q596 PolarHBondContact OD2-NE2 3.18Å; D594-P728 HydrophobicContact CB-CG 4.34Å; D594-I730 HydrophobicContact CB-CD1 4.29Å; D594-I730 VanDerWaalsContact OD2-CD1 3.24Å; D594-I730 WeakPolarHBondContact OD2-CD1 3.04Å
595	R	94.6	Very high	92.9	Very high	67 Å²	67	50 Å²	50	25%	0.253	26%	0.26	S	S	.	.			trans	-70.4	126.7	174.8	-179.9	-179.9	-178.4	176.4	9.3	111.1	I555 S557 D558 W576 E586 K587 A588 V593	I555-R595 VanDerWaalsContact CG2-NH1 3.31Å; S557-R595 PolarHBondContact O-NH1 2.91Å; D558-R595 PolarHBondContact O-NH2 2.79Å; W576-R595 HydrophobicContact CH2-CG 4.04Å; W576-R595 HydrophobicContact CZ2-CG 4.36Å; E586-R595 VanDerWaalsContact CD-NH2 3.28Å; E586-R595 IonicContact OE1-CZ 2.76Å; E586-R595 VanDerWaalsContact OE1-CZ 3.29Å; E586-R595 IonicContact OE1-NE 3.24Å; E586-R595 PolarHBondContact OE1-NE 2.64Å; E586-R595 IonicContact OE1-NH2 3.66Å; E586-R595 PolarHBondContact OE1-NH2 3.44Å; E586-R595 IonicContact OE2-CZ 3.07Å; E586-R595 IonicContact OE2-NE 3.12Å; E586-R595 IonicContact OE2-NH2 2.68Å; E586-R595 PolarHBondContact OE2-NH2 2.04Å; K587-R595 CarbonylContact O-C 3.56Å; K587-R595 VanDerWaalsContact O-CA 3.3Å; K587-R595 WeakPolarHBondContact O-CA 3.29Å; A588-R595 HydrophobicContact CB-CB 4.18Å; V593-R595 PolarHBondContact O-N 3.2Å
596	Q	92	Very high	92.8	Very high	100 Å²	100	50 Å²	50	47%	0.467	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149	179.7	-57.6	179.1	17.4	0	0	109.9	E586 K587 D594	E586-Q596 WeakPolarHBondContact CA-O 3.01Å; K587-Q596 PolarHBondContact N-O 3.36Å; K587-Q596 PolarHBondContact O-N 2.96Å; D594-Q596 VanDerWaalsContact CG-NE2 3.34Å; D594-Q596 PolarHBondContact O-N 2.79Å; D594-Q596 PolarHBondContact OD1-NE2 2.76Å; D594-Q596 PolarHBondContact OD2-NE2 3.18Å
597	V	94.3	Very high	92.5	Very high	78 Å²	78	49.9 Å²	49.9	47%	0.473	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.1	171.5	-175.7	0	0	0	0	108.5	K584 E586	K584-V597 HydrophobicContact CB-CG1 4.18Å; E586-V597 HydrophobicContact CG-CG2 4.28Å
598	L	95	Very high	92.4	Very high	24 Å²	24	48.5 Å²	48.5	13%	0.126	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-37.1	-176.4	-170.1	71.5	0	0	0	112.1	Y575 I585 L618 V631	Y575-L598 HydrophobicContact CD1-CD2 4.06Å; Y575-L598 HydrophobicContact CE1-CD2 4.3Å; I585-L598 HydrophobicContact CG2-CB 4.34Å; I585-L598 HydrophobicContact CG2-CD2 4.22Å; I585-L598 WeakPolarHBondContact O-CB 3.46Å; I585-L598 PolarHBondContact O-N 2.87Å; L598-L618 HydrophobicContact CD2-CD2 3.83Å; L598-V631 HydrophobicContact CD2-CG1 4.09Å; L598-V631 HydrophobicContact CG-CG1 4.46Å
599	V	95.6	Very high	92.4	Very high	12 Å²	12	49.2 Å²	49.2	7%	0.073	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	131.3	176.1	-171.7	0	0	0	0	109.3	K584 I585 I603 W620 V631	K584-V599 WeakPolarHBondContact CA-O 3.06Å; I585-V599 HydrophobicContact CB-CB 4.15Å; I585-V599 HydrophobicContact CB-CG2 4.34Å; I585-V599 HydrophobicContact CD1-CG2 4.45Å; I585-V599 PolarHBondContact N-O 2.76Å; I585-V599 PolarHBondContact O-N 2.99Å; I585-V599 VanDerWaalsContact O-N 3.11Å; V599-I603 HydrophobicContact CB-CD1 4.42Å; V599-I603 HydrophobicContact CG1-CD1 4.19Å; V599-W620 HydrophobicContact CG1-CH2 4.33Å; V599-W620 HydrophobicContact CG1-CZ2 4.2Å; V599-W620 HydrophobicContact CG2-CH2 4.15Å; V599-W620 HydrophobicContact CG2-CZ3 4.46Å; V599-V631 HydrophobicContact CG2-CG1 4.06Å
600	S	91.7	Very high	92.5	Very high	83 Å²	83	50 Å²	50	58%	0.58	26%	0.262	S	S	*	.			trans	-147	16.7	180	64.2	0	0	0	0	113.9
601	E	88.8	Confident	92.5	Very high	146 Å²	146	50.1 Å²	50.1	68%	0.682	26%	0.263	S	S	*	.	S	Bend	trans	-129.3	148.3	179.5	-63.8	-177.7	168	0	0	108.2	I603 R638	E601-I603 VanDerWaalsContact C-N 3.31Å; E601-I603 PolarHBondContact O-N 2.91Å; E601-R638 PolarHBondContact O-NH1 2.82Å
602	N	87.1	Confident	92.4	Very high	127 Å²	127	49.7 Å²	49.7	68%	0.679	26%	0.26	S	S	*	.	S	Bend	trans	42.9	56.4	-179.4	-58.7	-8	0	0	0	112	L625 R638	N602-L625 WeakPolarHBondContact O-CD1 3.44Å; N602-R638 PolarHBondContact O-NH2 3.42Å
603	I	90.8	Very high	92.2	Very high	8 Å²	8	50 Å²	50	4%	0.041	26%	0.258	C	S	.	.			trans	-153.1	126.9	-175.8	-171.9	169.7	0	0	0	107.2	A583 I585 V599 E601 P606	A583-I603 HydrophobicContact CB-CG2 4.45Å; A583-I603 WeakPolarHBondContact CB-O 3.42Å; I585-I603 HydrophobicContact CD1-CD1 3.84Å; I585-I603 HydrophobicContact CG1-CD1 3.76Å; V599-I603 HydrophobicContact CB-CD1 4.42Å; V599-I603 HydrophobicContact CG1-CD1 4.19Å; E601-I603 VanDerWaalsContact C-N 3.31Å; E601-I603 PolarHBondContact O-N 2.91Å; I603-P606 HydrophobicContact CD1-CB 3.82Å; I603-P606 HydrophobicContact CD1-CG 3.83Å; I603-P606 HydrophobicContact CG1-CB 3.91Å; I603-P606 HydrophobicContact CG1-CG 3.79Å
604	E	88	Confident	92	Very high	117 Å²	117	47.9 Å²	47.9	55%	0.547	25%	0.249	S	C	.	.	S	Bend	trans	-133.4	-54.8	-173.6	-62.6	-62.9	152.3	0	0	110.6	A583 P606 D622 L625	A583-E604 VanDerWaalsContact CB-O 3.26Å; A583-E604 WeakPolarHBondContact CB-O 3.04Å; E604-P606 WeakPolarHBondContact O-CD 3.03Å; E604-D622 PolarHBondContact N-OD2 2.7Å; E604-L625 HydrophobicContact CB-CD1 4.48Å; E604-L625 HydrophobicContact CB-CG 4.14Å; E604-L625 HydrophobicContact CG-CD1 4.09Å; E604-L625 HydrophobicContact CG-CD2 3.85Å; E604-L625 HydrophobicContact CG-CG 3.9Å
605	W	90.9	Very high	91.7	Very high	82 Å²	82	46.8 Å²	46.8	31%	0.311	24%	0.242	S	C	.	.			trans	-125.6	64.8	179.3	-150.2	-13.9	0	0	0	113.5	W579 N607 D622 S623 K624	W579-W605 HydrophobicContact CB-CG 4.46Å; W579-W605 AromaticContact CD2-CD1 3.72Å; W579-W605 AromaticContact CD2-NE1 3.23Å; W579-W605 AromaticContact CE2-NE1 3.9Å; W579-W605 AromaticContact CE3-CD1 3.85Å; W579-W605 AromaticContact CE3-CE2 3.74Å; W579-W605 HydrophobicContact CE3-CZ2 4.14Å; W579-W605 AromaticContact CE3-NE1 3.27Å; W579-W605 VanDerWaalsContact CE3-NE1 3.27Å; W579-W605 AromaticContact CG-CD1 3.55Å; W579-W605 AromaticContact CG-NE1 3.54Å; W579-W605 HydrophobicContact CH2-CZ2 4.48Å; W579-W605 HydrophobicContact CZ3-CZ2 4Å; W579-W605 AromaticContact CZ3-NE1 3.98Å; W605-N607 VanDerWaalsContact CD1-ND2 3.3Å; W605-N607 PolarHBondContact NE1-ND2 2.91Å; W605-N607 PolarHBondContact NE1-OD1 2.85Å; W605-N607 PolarHBondContact O-N 2.69Å; W605-D622 VanDerWaalsContact N-CG 3.33Å; W605-D622 PolarHBondContact N-OD1 3.48Å; W605-D622 PolarHBondContact N-OD2 2.78Å; W605-D622 WeakPolarHBondContact O-CA 3.45Å; W605-S623 PolarHBondContact O-N 3.39Å; W605-K624 HydrophobicContact CB-CB 4.12Å; W605-K624 HydrophobicContact CE3-CB 4.45Å
606	P	95.1	Very high	91.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	89	-178.4	30.6	-37.9	0	0	0	112.3	S577 W579 I603 E604 V621	S577-P606 WeakPolarHBondContact CB-O 3.48Å; S577-P606 PolarHBondContact OG-O 2.82Å; W579-P606 HydrophobicContact CB-CG 4.31Å; I603-P606 HydrophobicContact CD1-CB 3.82Å; I603-P606 HydrophobicContact CD1-CG 3.83Å; I603-P606 HydrophobicContact CG1-CB 3.91Å; I603-P606 HydrophobicContact CG1-CG 3.79Å; E604-P606 WeakPolarHBondContact O-CD 3.03Å; P606-V621 WeakPolarHBondContact CA-O 3.02Å
607	N	89.6	Confident	91.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-31.9	-169	-83.3	-27	0	0	0	115.3	R563 A564 W605 V621 S623 H650 Y652	R563-N607 WeakPolarHBondContact CD-O 3.41Å; R563-N607 WeakPolarHBondContact CD-OD1 3.37Å; R563-N607 PolarHBondContact NE-OD1 3.46Å; R563-N607 VanDerWaalsContact NH1-CG 3.28Å; R563-N607 PolarHBondContact NH1-ND2 3Å; R563-N607 PolarHBondContact NH1-OD1 2.89Å; R563-N607 PolarHBondContact NH2-OD1 3.46Å; A564-N607 WeakPolarHBondContact CB-O 3.31Å; W605-N607 VanDerWaalsContact CD1-ND2 3.3Å; W605-N607 PolarHBondContact NE1-ND2 2.91Å; W605-N607 PolarHBondContact NE1-OD1 2.85Å; W605-N607 PolarHBondContact O-N 2.69Å; N607-V621 PolarHBondContact N-O 3.45Å; N607-S623 PolarHBondContact ND2-OG 3.17Å; N607-H650 PolarHBondContact ND2-CE1 2.67Å; N607-Y652 CarbonylContact C-O 3.57Å
608	G	93.8	Very high	91.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.5	-177.8	0	0	0	0	0	111.5	W620 V621 Y652 L654	G608-W620 CarbonylContact O-C 3.59Å; G608-W620 WeakPolarHBondContact O-CA 3.35Å; G608-W620 WeakPolarHBondContact O-CB 3.16Å; G608-V621 PolarHBondContact O-N 3.38Å; G608-Y652 WeakPolarHBondContact CA-O 3.41Å; G608-Y652 PolarHBondContact N-O 3.36Å; G608-Y652 VanDerWaalsContact N-O 3.17Å; G608-L654 VanDerWaalsContact C-CD2 3.43Å; G608-L654 VanDerWaalsContact O-CD2 3.31Å; G608-L654 WeakPolarHBondContact O-CD2 3.32Å
609	I	96.9	Very high	91.5	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.8	173.4	70.5	170.8	0	0	0	110.5	A564 A566 Y575 I585 Y619 W620	A564-I609 HydrophobicContact CB-CB 4.48Å; A564-I609 HydrophobicContact CB-CG1 3.87Å; A566-I609 HydrophobicContact CB-CD1 3.93Å; A566-I609 HydrophobicContact CB-CG1 4.03Å; Y575-I609 WeakPolarHBondContact O-CD1 3.34Å; I585-I609 HydrophobicContact CD1-CG2 4.48Å; I609-Y619 CarbonylContact C-O 3.58Å; I609-Y619 VanDerWaalsContact CA-O 3.3Å; I609-Y619 WeakPolarHBondContact CA-O 3.43Å; I609-W620 HydrophobicContact CG2-CB 3.87Å
610	T	96.6	Very high	91.6	Very high	16 Å²	16	40.3 Å²	40.3	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	147.6	170.8	-161.6	0	0	0	0	111.4	Y619 L654 V656	T610-Y619 PolarHBondContact N-O 3.23Å; T610-Y619 PolarHBondContact O-N 3.14Å; T610-L654 WeakPolarHBondContact CB-O 3.43Å; T610-L654 HydrophobicContact CG2-CD1 4.29Å; T610-L654 HydrophobicContact CG2-CD2 4.23Å; T610-L654 HydrophobicContact CG2-CG 3.79Å; T610-V656 HydrophobicContact CG2-CB 4.28Å; T610-V656 HydrophobicContact CG2-CG2 3.77Å
611	L	94.9	Very high	91.8	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.7	179.8	-179.7	61.6	0	0	0	110.6	L567 D568 V613 L633 R702	L567-L611 VanDerWaalsContact O-CD2 3.26Å; L567-L611 WeakPolarHBondContact O-CD2 3.17Å; D568-L611 HydrophobicContact CB-CD2 3.78Å; L611-V613 HydrophobicContact CD2-CG2 4.1Å; L611-V613 HydrophobicContact CG-CG2 4.14Å; L611-V613 PolarHBondContact O-N 3.06Å; L611-L633 HydrophobicContact CD1-CD1 4.03Å; L611-L633 HydrophobicContact CD1-CD2 3.54Å; L611-L633 HydrophobicContact CD1-CG 4.33Å; L611-R702 VanDerWaalsContact O-CZ 3.24Å; L611-R702 PolarHBondContact O-NH1 2.88Å; L611-R702 PolarHBondContact O-NH2 3.45Å
612	D	92.1	Very high	92.1	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.059	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	102.1	157.3	-172.6	-31.8	0	0	0	108.1	A614 N615 R616 R617 Y619 R676	D612-A614 VanDerWaalsContact C-N 3.32Å; D612-A614 PolarHBondContact OD1-N 2.81Å; D612-A614 VanDerWaalsContact OD1-N 3.09Å; D612-N615 HydrophobicContact CB-CB 4.38Å; D612-N615 VanDerWaalsContact CG-ND2 3.31Å; D612-N615 PolarHBondContact OD1-N 3.38Å; D612-N615 PolarHBondContact OD1-ND2 3.48Å; D612-N615 PolarHBondContact OD2-ND2 2.86Å; D612-R616 VanDerWaalsContact O-CA 3.29Å; D612-R616 WeakPolarHBondContact O-CA 3.42Å; D612-R616 PolarHBondContact O-N 2.81Å; D612-R617 PolarHBondContact N-O 3.12Å; D612-R617 PolarHBondContact O-N 3.01Å; D612-R617 VanDerWaalsContact O-N 3.14Å; D612-Y619 HydrophobicContact CB-CD2 4.38Å; D612-Y619 HydrophobicContact CB-CE2 4Å; D612-R676 IonicContact OD2-CZ 3.28Å; D612-R676 IonicContact OD2-NH1 2.67Å; D612-R676 PolarHBondContact OD2-NH1 2.76Å; D612-R676 IonicContact OD2-NH2 2.82Å
613	V	87.6	Confident	92.4	Very high	28 Å²	28	23.6 Å²	23.6	17%	0.17	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.8	-176.2	-174.3	0	0	0	0	111.4	L611 P704	L611-V613 HydrophobicContact CD2-CG2 4.1Å; L611-V613 HydrophobicContact CG-CG2 4.14Å; L611-V613 PolarHBondContact O-N 3.06Å; V613-P704 HydrophobicContact CG1-CG 3.98Å
614	A	84.9	Confident	92.1	Very high	30 Å²	30	25.1 Å²	25.1	25%	0.248	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-47.8	-177.2	0	0	0	0	0	111.4	Y423 D612 R616	Y423-A614 HydrophobicContact CD2-CB 3.81Å; Y423-A614 HydrophobicContact CE2-CB 4.17Å; Y423-A614 HydrophobicContact CG-CB 4.39Å; Y423-A614 PolarHBondContact OH-O 3.02Å; D612-A614 VanDerWaalsContact C-N 3.32Å; D612-A614 PolarHBondContact OD1-N 2.81Å; D612-A614 VanDerWaalsContact OD1-N 3.09Å; A614-R616 VanDerWaalsContact C-N 3.29Å; A614-R616 PolarHBondContact O-N 3.5Å
615	N	85.2	Confident	92	Very high	34 Å²	34	22.2 Å²	22.2	18%	0.182	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.9	178.3	-64.2	-77.1	0	0	0	113.5	Q409 D612 R617 R676	Q409-N615 WeakPolarHBondContact CA-OD1 3.23Å; D612-N615 HydrophobicContact CB-CB 4.38Å; D612-N615 VanDerWaalsContact CG-ND2 3.31Å; D612-N615 PolarHBondContact OD1-N 3.38Å; D612-N615 PolarHBondContact OD1-ND2 3.48Å; D612-N615 PolarHBondContact OD2-ND2 2.86Å; N615-R617 PolarHBondContact O-N 2.93Å; N615-R676 PolarHBondContact ND2-NH2 3.3Å
616	R	89.4	Confident	91.9	Very high	126 Å²	126	19.9 Å²	19.9	48%	0.475	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	55.3	-177.6	-58.6	-171.8	71.8	-152	5.5	112.3	H571 D612 A614 L633	H571-R616 PolarHBondContact CD2-NH2 3.3Å; H571-R616 VanDerWaalsContact CD2-NH2 3.28Å; H571-R616 PolarHBondContact CE1-NE 3.33Å; H571-R616 VanDerWaalsContact CE1-NE 3.33Å; H571-R616 PolarHBondContact CE1-NH2 2.91Å; H571-R616 PolarHBondContact NE2-NH2 3.31Å; H571-R616 VanDerWaalsContact NE2-NH2 3.15Å; D612-R616 VanDerWaalsContact O-CA 3.29Å; D612-R616 WeakPolarHBondContact O-CA 3.42Å; D612-R616 PolarHBondContact O-N 2.81Å; A614-R616 VanDerWaalsContact C-N 3.29Å; A614-R616 PolarHBondContact O-N 3.5Å; R616-L633 HydrophobicContact CB-CD1 3.95Å; R616-L633 WeakPolarHBondContact O-CG 3.38Å
617	R	91.9	Very high	91.7	Very high	16 Å²	16	20.4 Å²	20.4	6%	0.06	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.5	-173.8	-164.1	171.5	173.1	96.5	2.9	111.2	D612 N615 Y619 S630 V631 D632 H637	D612-R617 PolarHBondContact N-O 3.12Å; D612-R617 PolarHBondContact O-N 3.01Å; D612-R617 VanDerWaalsContact O-N 3.14Å; N615-R617 PolarHBondContact O-N 2.93Å; R617-Y619 HydrophobicContact CB-CE2 4.27Å; R617-Y619 HydrophobicContact CG-CE2 4.25Å; R617-S630 PolarHBondContact NE-OG 3.48Å; R617-S630 PolarHBondContact NH2-O 3.3Å; R617-S630 PolarHBondContact NH2-OG 2.79Å; R617-V631 VanDerWaalsContact CG-O 3.31Å; R617-V631 WeakPolarHBondContact CG-O 3.04Å; R617-D632 IonicContact CZ-OD1 3.92Å; R617-D632 IonicContact NH1-OD1 3.63Å; R617-D632 PolarHBondContact NH1-OD1 3.16Å; R617-D632 IonicContact NH1-OD2 3.64Å; R617-H637 PolarHBondContact NH1-O 2.89Å; R617-H637 PolarHBondContact NH2-O 2.88Å
618	L	95.4	Very high	92	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.9	178.2	-169.6	72.9	0	0	0	109.5	Y575 I585 L598 S630 V631 L633	Y575-L618 HydrophobicContact CD1-CD2 4.27Å; Y575-L618 HydrophobicContact CG-CD1 4.35Å; I585-L618 HydrophobicContact CG2-CD2 3.7Å; L598-L618 HydrophobicContact CD2-CD2 3.83Å; L618-S630 CarbonylContact O-C 3.46Å; L618-S630 WeakPolarHBondContact O-CA 3.49Å; L618-S630 VanDerWaalsContact O-CB 3.26Å; L618-S630 WeakPolarHBondContact O-CB 3.08Å; L618-V631 HydrophobicContact CB-CG1 4.27Å; L618-V631 PolarHBondContact N-O 3.22Å; L618-V631 PolarHBondContact O-N 3.17Å; L618-L633 HydrophobicContact CB-CD2 4Å
619	Y	96.1	Very high	92	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.016	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.3	174.5	-73	-109.1	0	0	0	109.5	I609 T610 D612 R617 A629 H641 V656 I661	I609-Y619 CarbonylContact C-O 3.58Å; I609-Y619 VanDerWaalsContact CA-O 3.3Å; I609-Y619 WeakPolarHBondContact CA-O 3.43Å; T610-Y619 PolarHBondContact N-O 3.23Å; T610-Y619 PolarHBondContact O-N 3.14Å; D612-Y619 HydrophobicContact CB-CD2 4.38Å; D612-Y619 HydrophobicContact CB-CE2 4Å; R617-Y619 HydrophobicContact CB-CE2 4.27Å; R617-Y619 HydrophobicContact CG-CE2 4.25Å; Y619-A629 CarbonylContact C-O 3.56Å; Y619-A629 WeakPolarHBondContact CA-O 3.25Å; Y619-H641 AromaticContact CE1-CD2 3.77Å; Y619-V656 HydrophobicContact CD1-CG2 4Å; Y619-V656 HydrophobicContact CD2-CG2 4.13Å; Y619-V656 HydrophobicContact CE1-CG2 4.39Å; Y619-V656 HydrophobicContact CG-CG2 3.87Å; Y619-I661 HydrophobicContact CD1-CD1 4.12Å; Y619-I661 HydrophobicContact CE1-CD1 4.04Å
620	W	97.1	Very high	91.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.4	173.9	77.2	101.2	0	0	0	113.3	I585 V599 G608 I609 I628 A629 V631 R638	I585-W620 HydrophobicContact CD1-CB 3.95Å; I585-W620 HydrophobicContact CD1-CD2 3.58Å; I585-W620 HydrophobicContact CD1-CE3 4Å; I585-W620 HydrophobicContact CD1-CG 3.58Å; V599-W620 HydrophobicContact CG1-CH2 4.33Å; V599-W620 HydrophobicContact CG1-CZ2 4.2Å; V599-W620 HydrophobicContact CG2-CH2 4.15Å; V599-W620 HydrophobicContact CG2-CZ3 4.46Å; G608-W620 CarbonylContact O-C 3.59Å; G608-W620 WeakPolarHBondContact O-CA 3.35Å; G608-W620 WeakPolarHBondContact O-CB 3.16Å; I609-W620 HydrophobicContact CG2-CB 3.87Å; W620-I628 WeakPolarHBondContact O-CA 3.32Å; W620-A629 HydrophobicContact CD2-CB 4.05Å; W620-A629 HydrophobicContact CE3-CB 4.12Å; W620-A629 HydrophobicContact CH2-CB 3.71Å; W620-A629 HydrophobicContact CZ2-CB 3.62Å; W620-A629 HydrophobicContact CZ3-CB 3.95Å; W620-A629 PolarHBondContact N-O 3.35Å; W620-A629 PolarHBondContact O-N 3.01Å; W620-V631 HydrophobicContact CH2-CB 4.47Å; W620-V631 HydrophobicContact CZ3-CB 3.93Å; W620-V631 HydrophobicContact CZ3-CG1 3.84Å; W620-R638 HydrophobicContact CH2-CG 4.12Å
621	V	96.4	Very high	91.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	144	165	-61.1	0	0	0	0	109.9	P606 N607 G608 L627 I628 P651 L654	P606-V621 WeakPolarHBondContact CA-O 3.02Å; N607-V621 PolarHBondContact N-O 3.45Å; G608-V621 PolarHBondContact O-N 3.38Å; V621-L627 WeakPolarHBondContact CA-O 3.02Å; V621-I628 HydrophobicContact CG1-CD1 4.39Å; V621-I628 HydrophobicContact CG1-CG1 4.14Å; V621-P651 HydrophobicContact CB-CB 4.03Å; V621-P651 HydrophobicContact CB-CG 4.17Å; V621-P651 HydrophobicContact CG1-CB 4.13Å; V621-P651 HydrophobicContact CG2-CB 4.29Å; V621-L654 HydrophobicContact CG1-CB 3.93Å; V621-L654 HydrophobicContact CG1-CD1 3.96Å; V621-L654 HydrophobicContact CG1-CD2 4.18Å; V621-L654 HydrophobicContact CG1-CG 4.22Å
622	D	95	Very high	91.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.6	168	-168.6	-53.4	0	0	0	109.1	E604 W605 K624 L625 H626 L627	E604-D622 PolarHBondContact N-OD2 2.7Å; W605-D622 VanDerWaalsContact N-CG 3.33Å; W605-D622 PolarHBondContact N-OD1 3.48Å; W605-D622 PolarHBondContact N-OD2 2.78Å; W605-D622 WeakPolarHBondContact O-CA 3.45Å; D622-K624 PolarHBondContact OD1-N 2.95Å; D622-L625 HydrophobicContact CB-CB 4.15Å; D622-L625 PolarHBondContact OD1-N 2.83Å; D622-H626 PolarHBondContact O-N 2.79Å; D622-L627 HydrophobicContact CB-CD1 3.66Å; D622-L627 HydrophobicContact CB-CG 3.98Å; D622-L627 PolarHBondContact N-O 3.06Å; D622-L627 PolarHBondContact O-N 3.44Å; D622-L627 VanDerWaalsContact O-N 3.17Å
623	S	91.7	Very high	91.5	Very high	5 Å²	5	20.7 Å²	20.7	4%	0.035	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-20.3	-168.3	-44.7	0	0	0	0	114.7	W605 N607 H626 P651	W605-S623 PolarHBondContact O-N 3.39Å; N607-S623 PolarHBondContact ND2-OG 3.17Å; S623-H626 PolarHBondContact O-CE1 3.04Å; S623-P651 PolarHBondContact OG-O 2.9Å
624	K	85.3	Confident	91.5	Very high	40 Å²	40	25 Å²	25	17%	0.174	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-23.8	173.6	-176.8	56.7	172.5	174.6	0	112	D262 D264 W605 D622 H626	D262-K624 IonicContact OD2-NZ 2.84Å; D262-K624 PolarHBondContact OD2-NZ 2.84Å; D264-K624 IonicContact OD1-NZ 2.63Å; D264-K624 PolarHBondContact OD1-NZ 2.73Å; D264-K624 WeakPolarHBondContact OD2-CE 3.37Å; D264-K624 IonicContact OD2-NZ 3.78Å; D264-K624 PolarHBondContact OD2-NZ 2.8Å; W605-K624 HydrophobicContact CB-CB 4.12Å; W605-K624 HydrophobicContact CE3-CB 4.45Å; D622-K624 PolarHBondContact OD1-N 2.95Å; K624-H626 VanDerWaalsContact C-N 3.29Å; K624-H626 PolarHBondContact O-CD2 3.37Å
625	L	86.4	Confident	91.7	Very high	55 Å²	55	25.2 Å²	25.2	29%	0.288	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	2.6	168.6	-61	-179	0	0	0	113.5	N602 E604 D622 L627	N602-L625 WeakPolarHBondContact O-CD1 3.44Å; E604-L625 HydrophobicContact CB-CD1 4.48Å; E604-L625 HydrophobicContact CB-CG 4.14Å; E604-L625 HydrophobicContact CG-CD1 4.09Å; E604-L625 HydrophobicContact CG-CD2 3.85Å; E604-L625 HydrophobicContact CG-CG 3.9Å; D622-L625 HydrophobicContact CB-CB 4.15Å; D622-L625 PolarHBondContact OD1-N 2.83Å; L625-L627 VanDerWaalsContact C-N 3.26Å; L625-L627 HydrophobicContact CB-CD2 3.69Å; L625-L627 HydrophobicContact CB-CG 3.81Å; L625-L627 HydrophobicContact CD1-CD2 4.17Å; L625-L627 PolarHBondContact O-N 2.88Å; L625-L627 VanDerWaalsContact O-N 3.14Å
626	H	88.7	Confident	91.8	Very high	34 Å²	34	25 Å²	25	16%	0.157	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	43	48.4	179.4	-58.7	-77.1	0	0	0	113.4	D622 S623 K624 S643 S644 A645 L648 G649	D622-H626 PolarHBondContact O-N 2.79Å; S623-H626 PolarHBondContact O-CE1 3.04Å; K624-H626 VanDerWaalsContact C-N 3.29Å; K624-H626 PolarHBondContact O-CD2 3.37Å; H626-S643 CarbonylContact O-C 3.33Å; H626-S643 WeakPolarHBondContact O-CA 3.24Å; H626-S644 PolarHBondContact O-N 2.87Å; H626-A645 HydrophobicContact CB-CB 4.21Å; H626-L648 HydrophobicContact CB-CB 4.45Å; H626-L648 PolarHBondContact ND1-O 3.19Å; H626-L648 VanDerWaalsContact O-CD1 3.26Å; H626-L648 WeakPolarHBondContact O-CD1 3.48Å; H626-G649 PolarHBondContact CE1-O 2.68Å; H626-G649 PolarHBondContact ND1-O 3.47Å
627	L	90.9	Very high	91.6	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.058	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156.2	-171.8	65.3	71.9	0	0	0	114.7	V621 D622 L625 A629 T640 M642	V621-L627 WeakPolarHBondContact CA-O 3.02Å; D622-L627 HydrophobicContact CB-CD1 3.66Å; D622-L627 HydrophobicContact CB-CG 3.98Å; D622-L627 PolarHBondContact N-O 3.06Å; D622-L627 PolarHBondContact O-N 3.44Å; D622-L627 VanDerWaalsContact O-N 3.17Å; L625-L627 VanDerWaalsContact C-N 3.26Å; L625-L627 HydrophobicContact CB-CD2 3.69Å; L625-L627 HydrophobicContact CB-CG 3.81Å; L625-L627 HydrophobicContact CD1-CD2 4.17Å; L625-L627 PolarHBondContact O-N 2.88Å; L625-L627 VanDerWaalsContact O-N 3.14Å; L627-A629 HydrophobicContact CD1-CB 3.95Å; L627-T640 HydrophobicContact CB-CG2 4.36Å; L627-M642 CarbonylContact C-O 3.51Å; L627-M642 VanDerWaalsContact CA-O 3.22Å; L627-M642 WeakPolarHBondContact CA-O 3.28Å; L627-M642 WeakPolarHBondContact CB-O 3.44Å
628	I	95.1	Very high	91.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.6	163.5	-51.2	-168.1	0	0	0	107.5	W620 V621 H641 M642 L648 L654 I661 W663	W620-I628 WeakPolarHBondContact O-CA 3.32Å; V621-I628 HydrophobicContact CG1-CD1 4.39Å; V621-I628 HydrophobicContact CG1-CG1 4.14Å; I628-H641 PolarHBondContact O-N 3.03Å; I628-M642 HydrophobicContact CB-CB 4.42Å; I628-M642 HydrophobicContact CG1-CB 4.48Å; I628-M642 PolarHBondContact N-O 3.06Å; I628-M642 PolarHBondContact O-N 3.21Å; I628-L648 HydrophobicContact CD1-CD2 3.87Å; I628-L648 HydrophobicContact CG1-CD1 3.86Å; I628-L648 HydrophobicContact CG1-CD2 3.93Å; I628-L654 HydrophobicContact CG2-CD1 4.11Å; I628-I661 HydrophobicContact CD1-CG2 4.4Å; I628-I661 HydrophobicContact CG2-CD1 4.14Å; I628-I661 HydrophobicContact CG2-CG2 4.49Å; I628-W663 HydrophobicContact CD1-CD2 4.02Å; I628-W663 HydrophobicContact CD1-CE3 3.94Å; I628-W663 HydrophobicContact CD1-CG 4.41Å; I628-W663 HydrophobicContact CD1-CZ3 4.37Å
629	A	93.9	Very high	91.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	167.6	-178.8	0	0	0	0	0	112.2	Y619 W620 L627 R639	Y619-A629 CarbonylContact C-O 3.56Å; Y619-A629 WeakPolarHBondContact CA-O 3.25Å; W620-A629 HydrophobicContact CD2-CB 4.05Å; W620-A629 HydrophobicContact CE3-CB 4.12Å; W620-A629 HydrophobicContact CH2-CB 3.71Å; W620-A629 HydrophobicContact CZ2-CB 3.62Å; W620-A629 HydrophobicContact CZ3-CB 3.95Å; W620-A629 PolarHBondContact N-O 3.35Å; W620-A629 PolarHBondContact O-N 3.01Å; L627-A629 HydrophobicContact CD1-CB 3.95Å; A629-R639 CarbonylContact C-O 3.58Å; A629-R639 VanDerWaalsContact CA-O 3.26Å; A629-R639 WeakPolarHBondContact CA-O 3.46Å; A629-R639 WeakPolarHBondContact CB-O 3.38Å
630	S	93.6	Very high	90.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.8	176.1	67.6	0	0	0	0	112.4	R617 L618 R638 R639	R617-S630 PolarHBondContact NE-OG 3.48Å; R617-S630 PolarHBondContact NH2-O 3.3Å; R617-S630 PolarHBondContact NH2-OG 2.79Å; L618-S630 CarbonylContact O-C 3.46Å; L618-S630 WeakPolarHBondContact O-CA 3.49Å; L618-S630 VanDerWaalsContact O-CB 3.26Å; L618-S630 WeakPolarHBondContact O-CB 3.08Å; S630-R638 CarbonylContact O-C 3.46Å; S630-R638 WeakPolarHBondContact O-CA 3.43Å; S630-R639 PolarHBondContact N-O 3.01Å; S630-R639 PolarHBondContact O-N 3.28Å
631	V	94	Very high	90.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.7	-178.9	69	0	0	0	0	109.8	L598 V599 R617 L618 W620 G635 A636 R638	L598-V631 HydrophobicContact CD2-CG1 4.09Å; L598-V631 HydrophobicContact CG-CG1 4.46Å; V599-V631 HydrophobicContact CG2-CG1 4.06Å; R617-V631 VanDerWaalsContact CG-O 3.31Å; R617-V631 WeakPolarHBondContact CG-O 3.04Å; L618-V631 HydrophobicContact CB-CG1 4.27Å; L618-V631 PolarHBondContact N-O 3.22Å; L618-V631 PolarHBondContact O-N 3.17Å; W620-V631 HydrophobicContact CH2-CB 4.47Å; W620-V631 HydrophobicContact CZ3-CB 3.93Å; W620-V631 HydrophobicContact CZ3-CG1 3.84Å; V631-G635 VanDerWaalsContact CG2-C 3.42Å; V631-G635 WeakPolarHBondContact CG2-O 3.49Å; V631-A636 WeakPolarHBondContact CG2-O 3.43Å; V631-R638 HydrophobicContact CG2-CB 4.26Å
632	D	91.3	Very high	90.1	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.193	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	156.8	173.2	-64.9	-18.3	0	0	0	110.6	R617 N634 G635 A636 H637	R617-D632 IonicContact CZ-OD1 3.92Å; R617-D632 IonicContact NH1-OD1 3.63Å; R617-D632 PolarHBondContact NH1-OD1 3.16Å; R617-D632 IonicContact NH1-OD2 3.64Å; D632-N634 WeakPolarHBondContact CB-OD1 3.28Å; D632-N634 PolarHBondContact O-N 3.26Å; D632-G635 PolarHBondContact O-N 3.27Å; D632-A636 WeakPolarHBondContact CB-O 3.03Å; D632-A636 PolarHBondContact N-O 2.65Å; D632-H637 IonicContact OD2-CE1 3.98Å; D632-H637 IonicContact OD2-CG 2.76Å; D632-H637 IonicContact OD2-ND1 3.54Å; D632-H637 PolarHBondContact OD2-ND1 3Å
633	L	91.8	Very high	89.7	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.073	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	9.1	-175.5	-54.9	174.5	0	0	0	115.1	Y575 K587 L611 R616 L618	Y575-L633 HydrophobicContact CE1-CB 4.45Å; Y575-L633 HydrophobicContact CE1-CD2 3.83Å; Y575-L633 HydrophobicContact CE2-CD2 4.3Å; K587-L633 PolarHBondContact NZ-O 3.06Å; L611-L633 HydrophobicContact CD1-CD1 4.03Å; L611-L633 HydrophobicContact CD1-CD2 3.54Å; L611-L633 HydrophobicContact CD1-CG 4.33Å; R616-L633 HydrophobicContact CB-CD1 3.95Å; R616-L633 WeakPolarHBondContact O-CG 3.38Å; L618-L633 HydrophobicContact CB-CD2 4Å
634	N	88.1	Confident	89.4	Confident	119 Å²	119	40.5 Å²	40.5	64%	0.636	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.9	3.3	172.3	65.5	-6.5	0	0	0	113	D632 A636	D632-N634 WeakPolarHBondContact CB-OD1 3.28Å; D632-N634 PolarHBondContact O-N 3.26Å; N634-A636 WeakPolarHBondContact OD1-CB 3.48Å; N634-A636 PolarHBondContact OD1-N 3.46Å
635	G	87.8	Confident	89.2	Confident	33 Å²	33	41 Å²	41	34%	0.34	23%	0.233	S	C	.	.	S	Bend	trans	87.8	-2.7	-176.9	0	0	0	0	0	114.8	V631 D632	V631-G635 VanDerWaalsContact CG2-C 3.42Å; V631-G635 WeakPolarHBondContact CG2-O 3.49Å; D632-G635 PolarHBondContact O-N 3.27Å
636	A	87.2	Confident	88.9	Confident	29 Å²	29	46.2 Å²	46.2	24%	0.24	26%	0.256	C	S	.	.			trans	-82.8	166	-177.4	0	0	0	0	0	113.5	V631 D632 N634 R638	V631-A636 WeakPolarHBondContact CG2-O 3.43Å; D632-A636 WeakPolarHBondContact CB-O 3.03Å; D632-A636 PolarHBondContact N-O 2.65Å; N634-A636 WeakPolarHBondContact OD1-CB 3.48Å; N634-A636 PolarHBondContact OD1-N 3.46Å; A636-R638 PolarHBondContact O-N 2.87Å; A636-R638 VanDerWaalsContact O-N 3.09Å
637	H	85.8	Confident	88.6	Confident	138 Å²	138	49.7 Å²	49.7	64%	0.639	27%	0.267	S	S	*	.	S	Bend	trans	46.6	42.1	173.6	-46.2	113.1	0	0	0	114.3	R617 D632 R639	R617-H637 PolarHBondContact NH1-O 2.89Å; R617-H637 PolarHBondContact NH2-O 2.88Å; D632-H637 IonicContact OD2-CE1 3.98Å; D632-H637 IonicContact OD2-CG 2.76Å; D632-H637 IonicContact OD2-ND1 3.54Å; D632-H637 PolarHBondContact OD2-ND1 3Å; H637-R639 PolarHBondContact O-N 2.88Å
638	R	89.9	Confident	88.4	Confident	83 Å²	83	49.1 Å²	49.1	31%	0.313	27%	0.265	S	S	.	.			trans	-52.6	134.8	172.3	176.2	177.5	175.7	170.2	2.6	109.9	E601 N602 W620 S630 V631 A636	E601-R638 PolarHBondContact O-NH1 2.82Å; N602-R638 PolarHBondContact O-NH2 3.42Å; W620-R638 HydrophobicContact CH2-CG 4.12Å; S630-R638 CarbonylContact O-C 3.46Å; S630-R638 WeakPolarHBondContact O-CA 3.43Å; V631-R638 HydrophobicContact CG2-CB 4.26Å; A636-R638 PolarHBondContact O-N 2.87Å; A636-R638 VanDerWaalsContact O-N 3.09Å
639	R	87.6	Confident	88.1	Confident	44 Å²	44	49.6 Å²	49.6	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	135	-179.4	-178.2	178	165.5	-150.4	-10	111.1	D405 A629 S630 H637 H641 L677	D405-R639 IonicContact OD1-CZ 2.87Å; D405-R639 IonicContact OD1-NH1 3.53Å; D405-R639 PolarHBondContact OD1-NH1 2.89Å; D405-R639 IonicContact OD1-NH2 3.78Å; D405-R639 PolarHBondContact OD1-NH2 2.78Å; D405-R639 IonicContact OD2-CZ 3.23Å; D405-R639 IonicContact OD2-NE 3.03Å; D405-R639 IonicContact OD2-NH1 3.55Å; D405-R639 PolarHBondContact OD2-NH1 3.15Å; D405-R639 IonicContact OD2-NH2 3.01Å; D405-R639 PolarHBondContact OD2-NH2 3.27Å; A629-R639 CarbonylContact C-O 3.58Å; A629-R639 VanDerWaalsContact CA-O 3.26Å; A629-R639 WeakPolarHBondContact CA-O 3.46Å; A629-R639 WeakPolarHBondContact CB-O 3.38Å; S630-R639 PolarHBondContact N-O 3.01Å; S630-R639 PolarHBondContact O-N 3.28Å; H637-R639 PolarHBondContact O-N 2.88Å; R639-H641 PolarHBondContact NH1-CE1 2.87Å; R639-H641 PolarHBondContact NH1-NE2 2.04Å; R639-H641 PolarHBondContact NH2-CE1 3.36Å; R639-L677 PolarHBondContact NH2-O 3.06Å
640	T	90.9	Very high	87.9	Confident	65 Å²	65	51.1 Å²	51.1	40%	0.399	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131	167	-52.8	0	0	0	0	109	L627 M642	L627-T640 HydrophobicContact CB-CG2 4.36Å; T640-M642 WeakPolarHBondContact CG2-O 3.44Å
641	H	88.8	Confident	88	Confident	21 Å²	21	51.1 Å²	51.1	10%	0.097	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-31	177.3	-67	-75.4	0	0	0	112.4	Y619 I628 R639 I661 R676	Y619-H641 AromaticContact CE1-CD2 3.77Å; I628-H641 PolarHBondContact O-N 3.03Å; R639-H641 PolarHBondContact NH1-CE1 2.87Å; R639-H641 PolarHBondContact NH1-NE2 2.04Å; R639-H641 PolarHBondContact NH2-CE1 3.36Å; H641-I661 HydrophobicContact CB-CD1 4.42Å; H641-R676 PolarHBondContact CE1-O 3.47Å; H641-R676 PolarHBondContact ND1-O 2.79Å; H641-R676 PolarHBondContact NE2-O 2.83Å
642	M	87.8	Confident	87.9	Confident	14 Å²	14	52 Å²	52	7%	0.069	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	142.3	177	-164	-179.9	-52.1	0	0	108.9	L627 I628 T640 R647 L648 W663 A674 I682	L627-M642 CarbonylContact C-O 3.51Å; L627-M642 VanDerWaalsContact CA-O 3.22Å; L627-M642 WeakPolarHBondContact CA-O 3.28Å; L627-M642 WeakPolarHBondContact CB-O 3.44Å; I628-M642 HydrophobicContact CB-CB 4.42Å; I628-M642 HydrophobicContact CG1-CB 4.48Å; I628-M642 PolarHBondContact N-O 3.06Å; I628-M642 PolarHBondContact O-N 3.21Å; T640-M642 WeakPolarHBondContact CG2-O 3.44Å; M642-R647 HydrophobicContact SD-CB 3.82Å; M642-L648 HydrophobicContact CB-CD1 4.08Å; M642-L648 HydrophobicContact CG-CD1 3.9Å; M642-L648 HydrophobicContact SD-CD1 3.89Å; M642-L648 HydrophobicContact SD-CD2 4.27Å; M642-L648 HydrophobicContact SD-CG 3.97Å; M642-W663 HydrophobicContact CE-CH2 3.88Å; M642-W663 HydrophobicContact CE-CZ3 4.36Å; M642-W663 HydrophobicContact SD-CH2 4.43Å; M642-A674 HydrophobicContact CE-CB 4.01Å; M642-I682 HydrophobicContact CE-CD1 3.66Å; M642-I682 HydrophobicContact CE-CG1 4.06Å; M642-I682 HydrophobicContact SD-CD1 3.83Å
643	S	88.1	Confident	88.1	Confident	78 Å²	78	50.5 Å²	50.5	55%	0.545	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	105.7	174.3	-139.3	0	0	0	0	106.9	H626	H626-S643 CarbonylContact O-C 3.33Å; H626-S643 WeakPolarHBondContact O-CA 3.24Å
644	S	83.6	Confident	88.4	Confident	34 Å²	34	50 Å²	50	24%	0.238	27%	0.27	C	S	.	.			trans	-178.5	116.8	-177.1	170.1	0	0	0	0	111.1	H626 E646 R647 L648	H626-S644 PolarHBondContact O-N 2.87Å; S644-E646 VanDerWaalsContact C-N 3.31Å; S644-E646 PolarHBondContact O-N 3.41Å; S644-R647 PolarHBondContact O-N 2.94Å; S644-R647 WeakPolarHBondContact OG-CG 3.49Å; S644-R647 PolarHBondContact OG-N 3.21Å; S644-L648 PolarHBondContact O-N 2.82Å
645	A	81.6	Confident	88.7	Confident	52 Å²	52	44.4 Å²	44.4	43%	0.43	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.9	175	0	0	0	0	0	113	H626 R647 L648	H626-A645 HydrophobicContact CB-CB 4.21Å; A645-R647 PolarHBondContact O-N 3.43Å; A645-L648 CarbonylContact O-C 3.58Å
646	E	80.6	Confident	89.1	Confident	164 Å²	164	42.9 Å²	42.9	77%	0.766	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-32	173.9	-165.4	-153.5	-172.3	0	0	111.9	S644 K668	S644-E646 VanDerWaalsContact C-N 3.31Å; S644-E646 PolarHBondContact O-N 3.41Å; E646-K668 PolarHBondContact O-NZ 3.01Å
647	R	81.6	Confident	89.4	Confident	106 Å²	106	41.7 Å²	41.7	40%	0.4	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-33.6	-176.8	-64.2	175	-177.7	-160.9	5.6	113.4	M642 S644 A645 K668 I682	M642-R647 HydrophobicContact SD-CB 3.82Å; S644-R647 PolarHBondContact O-N 2.94Å; S644-R647 WeakPolarHBondContact OG-CG 3.49Å; S644-R647 PolarHBondContact OG-N 3.21Å; A645-R647 PolarHBondContact O-N 3.43Å; R647-K668 PolarHBondContact O-NZ 3.42Å; R647-I682 HydrophobicContact CB-CD1 4.32Å; R647-I682 HydrophobicContact CG-CD1 4.05Å
648	L	88.3	Confident	89.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.			trans	-123.8	97.1	-176.1	-62.6	163.1	0	0	0	107	H626 I628 M642 S644 A645 P651 W663	H626-L648 HydrophobicContact CB-CB 4.45Å; H626-L648 PolarHBondContact ND1-O 3.19Å; H626-L648 VanDerWaalsContact O-CD1 3.26Å; H626-L648 WeakPolarHBondContact O-CD1 3.48Å; I628-L648 HydrophobicContact CD1-CD2 3.87Å; I628-L648 HydrophobicContact CG1-CD1 3.86Å; I628-L648 HydrophobicContact CG1-CD2 3.93Å; M642-L648 HydrophobicContact CB-CD1 4.08Å; M642-L648 HydrophobicContact CG-CD1 3.9Å; M642-L648 HydrophobicContact SD-CD1 3.89Å; M642-L648 HydrophobicContact SD-CD2 4.27Å; M642-L648 HydrophobicContact SD-CG 3.97Å; S644-L648 PolarHBondContact O-N 2.82Å; A645-L648 CarbonylContact O-C 3.58Å; L648-P651 HydrophobicContact CB-CG 4.29Å; L648-P651 HydrophobicContact CD2-CB 4.43Å; L648-P651 HydrophobicContact CD2-CG 4.48Å; L648-W663 HydrophobicContact CD2-CD2 4.28Å; L648-W663 HydrophobicContact CD2-CZ2 3.77Å
649	G	87.3	Confident	89.5	Confident	11 Å²	11	32.9 Å²	32.9	11%	0.113	18%	0.177	C	C	.	.	S	Bend	trans	-72.3	-89.2	177.8	0	0	0	0	0	109.2	H626 P651 D665	H626-G649 PolarHBondContact CE1-O 2.68Å; H626-G649 PolarHBondContact ND1-O 3.47Å; G649-P651 WeakPolarHBondContact O-CD 3.39Å; G649-D665 PolarHBondContact N-OD2 2.94Å
650	H	90.8	Very high	89.7	Confident	31 Å²	31	33.1 Å²	33.1	14%	0.144	18%	0.178	C	C	.	.	S	Bend	trans	-123.3	77.9	171.2	-172.5	-66.4	0	0	0	109.8	N607 Y652 D665 R666 D667	N607-H650 PolarHBondContact ND2-CE1 2.67Å; H650-Y652 PolarHBondContact O-N 2.87Å; H650-D665 PolarHBondContact N-OD1 3.21Å; H650-R666 HydrophobicContact CB-CB 4.3Å; H650-R666 PolarHBondContact O-N 3.35Å; H650-D667 HydrophobicContact CB-CB 4.4Å; H650-D667 VanDerWaalsContact CB-CG 3.43Å; H650-D667 WeakPolarHBondContact CB-OD1 3.37Å; H650-D667 WeakPolarHBondContact CB-OD2 3.33Å
651	P	94.5	Very high	89.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	130.3	178.8	27.4	-35.7	0	0	0	110.8	V621 S623 L648 G649 T664	V621-P651 HydrophobicContact CB-CB 4.03Å; V621-P651 HydrophobicContact CB-CG 4.17Å; V621-P651 HydrophobicContact CG1-CB 4.13Å; V621-P651 HydrophobicContact CG2-CB 4.29Å; S623-P651 PolarHBondContact OG-O 2.9Å; L648-P651 HydrophobicContact CB-CG 4.29Å; L648-P651 HydrophobicContact CD2-CB 4.43Å; L648-P651 HydrophobicContact CD2-CG 4.48Å; G649-P651 WeakPolarHBondContact O-CD 3.39Å; P651-T664 CarbonylContact C-O 3.51Å; P651-T664 VanDerWaalsContact CA-O 3.23Å; P651-T664 WeakPolarHBondContact CA-O 3.31Å
652	Y	93.1	Very high	90.2	Very high	19 Å²	19	29.6 Å²	29.6	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-57.8	-175.6	-165.5	-80.3	0	0	0	112.5	V520 N607 G608 H650 T664 H693	V520-Y652 WeakPolarHBondContact CG1-OH 3.3Å; N607-Y652 CarbonylContact C-O 3.57Å; G608-Y652 WeakPolarHBondContact CA-O 3.41Å; G608-Y652 PolarHBondContact N-O 3.36Å; G608-Y652 VanDerWaalsContact N-O 3.17Å; H650-Y652 PolarHBondContact O-N 2.87Å; Y652-T664 PolarHBondContact N-O 2.75Å; Y652-H693 HydrophobicContact CD1-CB 4.13Å; Y652-H693 WeakPolarHBondContact CD1-O 3.47Å; Y652-H693 HydrophobicContact CE1-CB 4.03Å; Y652-H693 AromaticContact CE1-CD2 3.99Å; Y652-H693 AromaticContact CE2-CD2 3.7Å; Y652-H693 AromaticContact CZ-CD2 3.52Å
653	A	95.7	Very high	90.7	Very high	5 Å²	5	29 Å²	29	4%	0.041	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	164.4	-179.9	0	0	0	0	0	111.5	W663 T664 H693 I695	A653-W663 VanDerWaalsContact O-CA 3.24Å; A653-W663 WeakPolarHBondContact O-CA 3.39Å; A653-W663 WeakPolarHBondContact O-CB 3.36Å; A653-T664 PolarHBondContact N-OG1 3.26Å; A653-T664 PolarHBondContact O-N 3.08Å; A653-T664 PolarHBondContact O-OG1 3.36Å; A653-H693 WeakPolarHBondContact CB-O 3.04Å; A653-I695 HydrophobicContact CB-CG2 3.96Å
654	L	96.5	Very high	91.1	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.7	178.7	80.2	169.7	0	0	0	112.9	G608 T610 V621 I628 I661 Y662 W663	G608-L654 VanDerWaalsContact C-CD2 3.43Å; G608-L654 VanDerWaalsContact O-CD2 3.31Å; G608-L654 WeakPolarHBondContact O-CD2 3.32Å; T610-L654 WeakPolarHBondContact CB-O 3.43Å; T610-L654 HydrophobicContact CG2-CD1 4.29Å; T610-L654 HydrophobicContact CG2-CD2 4.23Å; T610-L654 HydrophobicContact CG2-CG 3.79Å; V621-L654 HydrophobicContact CG1-CB 3.93Å; V621-L654 HydrophobicContact CG1-CD1 3.96Å; V621-L654 HydrophobicContact CG1-CD2 4.18Å; V621-L654 HydrophobicContact CG1-CG 4.22Å; I628-L654 HydrophobicContact CG2-CD1 4.11Å; L654-I661 HydrophobicContact CD1-CG2 4.29Å; L654-Y662 CarbonylContact C-O 3.54Å; L654-Y662 WeakPolarHBondContact CA-O 3.24Å; L654-Y662 WeakPolarHBondContact CB-O 3.5Å; L654-W663 HydrophobicContact CB-CB 4.12Å
655	A	96.4	Very high	91.6	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.017	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.9	170.3	0	0	0	0	0	110.9	Y662 V697	A655-Y662 PolarHBondContact N-O 2.81Å; A655-Y662 PolarHBondContact O-N 2.8Å; A655-V697 HydrophobicContact CB-CG2 3.68Å
656	V	94.8	Very high	92	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.4	179	177.6	0	0	0	0	110.4	T610 Y619 I661 R702	T610-V656 HydrophobicContact CG2-CB 4.28Å; T610-V656 HydrophobicContact CG2-CG2 3.77Å; Y619-V656 HydrophobicContact CD1-CG2 4Å; Y619-V656 HydrophobicContact CD2-CG2 4.13Å; Y619-V656 HydrophobicContact CE1-CG2 4.39Å; Y619-V656 HydrophobicContact CG-CG2 3.87Å; V656-I661 HydrophobicContact CG2-CG1 4.24Å; V656-I661 HydrophobicContact CG2-CG2 4.28Å; V656-R702 PolarHBondContact O-NH1 2.97Å
657	F	93.1	Very high	92.4	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.1	174.9	-165.6	-108.2	0	0	0	110.7	A437 P442 D659 R660 Y662 V697 H699 R702	A437-F657 HydrophobicContact CB-CE1 4Å; A437-F657 HydrophobicContact CB-CZ 3.58Å; P442-F657 HydrophobicContact CB-CD1 4.15Å; P442-F657 HydrophobicContact CB-CE1 3.73Å; P442-F657 HydrophobicContact CB-CZ 4.19Å; P442-F657 HydrophobicContact CG-CD1 4.19Å; P442-F657 HydrophobicContact CG-CE1 3.71Å; F657-D659 PolarHBondContact O-N 2.88Å; F657-R660 PolarHBondContact N-O 2.04Å; F657-R660 VanDerWaalsContact N-O 3.12Å; F657-R660 PolarHBondContact O-N 2.71Å; F657-R660 VanDerWaalsContact O-O 3.12Å; F657-Y662 HydrophobicContact CB-CE2 4.21Å; F657-V697 HydrophobicContact CB-CG1 4.09Å; F657-V697 HydrophobicContact CB-CG2 4.09Å; F657-V697 HydrophobicContact CD2-CG1 3.84Å; F657-V697 HydrophobicContact CE2-CG1 4.44Å; F657-V697 HydrophobicContact CG-CG1 3.92Å; F657-H699 HydrophobicContact CD2-CB 4.45Å; F657-H699 HydrophobicContact CE2-CB 3.61Å; F657-H699 AromaticContact CE2-CG 3.79Å; F657-H699 AromaticContact CE2-ND1 3.71Å; F657-H699 HydrophobicContact CZ-CB 3.73Å; F657-H699 AromaticContact CZ-CG 3.49Å; F657-H699 VanDerWaalsContact CZ-CG 3.49Å; F657-H699 AromaticContact CZ-ND1 3.45Å; F657-H699 WeakPolarHBondContact CZ-ND1 3.46Å; F657-R702 HydrophobicContact CD2-CG 4.09Å; F657-R702 HydrophobicContact CE2-CG 4.31Å
658	E	90.3	Very high	92.7	Very high	27 Å²	27	22.9 Å²	22.9	13%	0.126	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-127.2	-176.3	-62	172.3	158.3	0	0	111.9	Y426 K436 A437 R660 R676	Y426-E658 HydrophobicContact CE1-CG 4.17Å; K436-E658 WeakPolarHBondContact CA-OE1 3.07Å; K436-E658 HydrophobicContact CD-CB 4.4Å; K436-E658 HydrophobicContact CD-CG 4.2Å; K436-E658 WeakPolarHBondContact CD-OE1 3.46Å; K436-E658 WeakPolarHBondContact CD-OE2 3.49Å; K436-E658 IonicContact NZ-OE2 3.51Å; K436-E658 PolarHBondContact NZ-OE2 2.96Å; A437-E658 PolarHBondContact N-OE1 3.47Å; E658-R660 VanDerWaalsContact C-N 3.33Å; E658-R676 VanDerWaalsContact O-CD 3.25Å; E658-R676 WeakPolarHBondContact O-CD 3.24Å; E658-R676 PolarHBondContact O-NE 2.76Å; E658-R676 PolarHBondContact O-NH1 2.77Å
659	D	88.2	Confident	93	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.043	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	7.5	177.5	70.1	-65.9	0	0	0	113.9	T434 K436 F657 N675 R676	T434-D659 HydrophobicContact CG2-CB 3.98Å; K436-D659 IonicContact NZ-OD1 2.73Å; K436-D659 PolarHBondContact NZ-OD1 3.24Å; F657-D659 PolarHBondContact O-N 2.88Å; D659-N675 WeakPolarHBondContact O-CA 3.43Å; D659-N675 PolarHBondContact O-ND2 3.41Å; D659-N675 PolarHBondContact OD2-ND2 2.79Å; D659-N675 VanDerWaalsContact OD2-ND2 3.09Å; D659-R676 WeakPolarHBondContact O-CB 3.09Å; D659-R676 WeakPolarHBondContact O-CG 3.13Å; D659-R676 PolarHBondContact O-N 3.13Å
660	R	91.8	Very high	93.3	Very high	49 Å²	49	23.7 Å²	23.7	19%	0.185	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.1	-167.2	-62.1	-169.8	172.6	-112.3	-15.1	114.6	F657 E658 Y662 M673 A674 D681	F657-R660 PolarHBondContact N-O 2.04Å; F657-R660 VanDerWaalsContact N-O 3.12Å; F657-R660 PolarHBondContact O-N 2.71Å; F657-R660 VanDerWaalsContact O-O 3.12Å; E658-R660 VanDerWaalsContact C-N 3.33Å; R660-Y662 HydrophobicContact CB-CE2 3.83Å; R660-M673 PolarHBondContact NH1-SD 3.05Å; R660-M673 VanDerWaalsContact NH1-SD 3.4Å; R660-A674 VanDerWaalsContact CA-O 3.3Å; R660-A674 WeakPolarHBondContact CA-O 3.08Å; R660-D681 IonicContact CZ-OD2 2.7Å; R660-D681 VanDerWaalsContact CZ-OD2 3.27Å; R660-D681 IonicContact NH1-OD2 3.58Å; R660-D681 PolarHBondContact NH1-OD2 3.18Å; R660-D681 IonicContact NH2-OD2 4Å; R660-D681 PolarHBondContact NH2-OD2 3.23Å
661	I	94.7	Very high	93.5	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.031	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.4	168.8	-48.9	-177.5	0	0	0	107.6	Y619 I628 H641 L654 V656 M673 A674 R676	Y619-I661 HydrophobicContact CD1-CD1 4.12Å; Y619-I661 HydrophobicContact CE1-CD1 4.04Å; I628-I661 HydrophobicContact CD1-CG2 4.4Å; I628-I661 HydrophobicContact CG2-CD1 4.14Å; I628-I661 HydrophobicContact CG2-CG2 4.49Å; H641-I661 HydrophobicContact CB-CD1 4.42Å; L654-I661 HydrophobicContact CD1-CG2 4.29Å; V656-I661 HydrophobicContact CG2-CG1 4.24Å; V656-I661 HydrophobicContact CG2-CG2 4.28Å; I661-M673 CarbonylContact O-C 3.58Å; I661-M673 WeakPolarHBondContact O-CA 3.28Å; I661-A674 PolarHBondContact N-O 3.18Å; I661-A674 PolarHBondContact O-N 2.83Å; I661-R676 HydrophobicContact CD1-CB 3.95Å; I661-R676 HydrophobicContact CG1-CB 3.5Å; I661-R676 VanDerWaalsContact CG1-CB 3.5Å
662	Y	96.2	Very high	93.5	Very high	7 Å²	7	23.6 Å²	23.6	3%	0.027	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.9	175.2	-54.4	-87.1	0	0	0	108.3	L444 L457 L654 A655 F657 R660 F672 M673 L685	L444-Y662 HydrophobicContact CD1-CD1 3.65Å; L444-Y662 HydrophobicContact CD1-CE1 4.16Å; L444-Y662 HydrophobicContact CD1-CG 4.02Å; L444-Y662 HydrophobicContact CD2-CD1 4.36Å; L444-Y662 HydrophobicContact CD2-CD2 4.15Å; L444-Y662 HydrophobicContact CD2-CG 4.01Å; L457-Y662 HydrophobicContact CD1-CE1 4.36Å; L457-Y662 HydrophobicContact CD1-CE2 4.43Å; L457-Y662 HydrophobicContact CD2-CD1 4.4Å; L457-Y662 HydrophobicContact CD2-CE1 3.58Å; L654-Y662 CarbonylContact C-O 3.54Å; L654-Y662 WeakPolarHBondContact CA-O 3.24Å; L654-Y662 WeakPolarHBondContact CB-O 3.5Å; A655-Y662 PolarHBondContact N-O 2.81Å; A655-Y662 PolarHBondContact O-N 2.8Å; F657-Y662 HydrophobicContact CB-CE2 4.21Å; R660-Y662 HydrophobicContact CB-CE2 3.83Å; Y662-F672 VanDerWaalsContact CA-O 3.29Å; Y662-F672 WeakPolarHBondContact CA-O 3.24Å; Y662-M673 HydrophobicContact CD1-CB 3.82Å; Y662-M673 HydrophobicContact CD1-CG 3.89Å; Y662-M673 HydrophobicContact CD1-SD 4.44Å; Y662-M673 HydrophobicContact CE1-CB 3.94Å; Y662-M673 HydrophobicContact CE1-CG 3.53Å; Y662-M673 HydrophobicContact CE1-SD 3.6Å; Y662-L685 HydrophobicContact CD1-CD1 3.69Å; Y662-L685 HydrophobicContact CE1-CD1 3.83Å
663	W	96.9	Very high	93.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.2	175.6	72.1	97.3	0	0	0	112.6	I628 M642 L648 A653 L654 V671 F672 A674 I682	I628-W663 HydrophobicContact CD1-CD2 4.02Å; I628-W663 HydrophobicContact CD1-CE3 3.94Å; I628-W663 HydrophobicContact CD1-CG 4.41Å; I628-W663 HydrophobicContact CD1-CZ3 4.37Å; M642-W663 HydrophobicContact CE-CH2 3.88Å; M642-W663 HydrophobicContact CE-CZ3 4.36Å; M642-W663 HydrophobicContact SD-CH2 4.43Å; L648-W663 HydrophobicContact CD2-CD2 4.28Å; L648-W663 HydrophobicContact CD2-CZ2 3.77Å; A653-W663 VanDerWaalsContact O-CA 3.24Å; A653-W663 WeakPolarHBondContact O-CA 3.39Å; A653-W663 WeakPolarHBondContact O-CB 3.36Å; L654-W663 HydrophobicContact CB-CB 4.12Å; W663-V671 WeakPolarHBondContact O-CA 3.45Å; W663-F672 HydrophobicContact CD2-CB 3.76Å; W663-F672 VanDerWaalsContact CE2-CB 3.43Å; W663-F672 HydrophobicContact CE3-CB 3.99Å; W663-F672 HydrophobicContact CG-CB 4.49Å; W663-F672 HydrophobicContact CH2-CB 3.66Å; W663-F672 HydrophobicContact CH2-CG 4.49Å; W663-F672 HydrophobicContact CZ2-CB 3.4Å; W663-F672 HydrophobicContact CZ2-CD2 4.27Å; W663-F672 AromaticContact CZ2-CG 3.91Å; W663-F672 HydrophobicContact CZ2-CG 3.91Å; W663-F672 HydrophobicContact CZ3-CB 3.94Å; W663-F672 PolarHBondContact N-O 2.81Å; W663-F672 AromaticContact NE1-CD2 3.78Å; W663-F672 PolarHBondContact O-N 2.02Å; W663-A674 HydrophobicContact CH2-CB 4.04Å; W663-A674 HydrophobicContact CZ3-CB 3.69Å; W663-I682 HydrophobicContact CH2-CG2 4.06Å; W663-I682 HydrophobicContact CZ2-CG2 4.49Å
664	T	96.4	Very high	93.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.8	167.2	44.2	0	0	0	0	109.4	P651 Y652 A653 V671 P692 H693 I695	P651-T664 CarbonylContact C-O 3.51Å; P651-T664 VanDerWaalsContact CA-O 3.23Å; P651-T664 WeakPolarHBondContact CA-O 3.31Å; Y652-T664 PolarHBondContact N-O 2.75Å; A653-T664 PolarHBondContact N-OG1 3.26Å; A653-T664 PolarHBondContact O-N 3.08Å; A653-T664 PolarHBondContact O-OG1 3.36Å; T664-V671 HydrophobicContact CG2-CG2 3.99Å; T664-P692 WeakPolarHBondContact CB-O 3.09Å; T664-P692 HydrophobicContact CG2-CB 3.99Å; T664-H693 WeakPolarHBondContact CB-O 3.32Å; T664-H693 WeakPolarHBondContact CG2-O 3.35Å; T664-H693 PolarHBondContact OG1-O 2.76Å; T664-I695 HydrophobicContact CG2-CB 3.94Å; T664-I695 HydrophobicContact CG2-CD1 4.33Å; T664-I695 HydrophobicContact CG2-CG2 4.04Å
665	D	94.8	Very high	93.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120	174.6	-167.3	-37.5	0	0	0	109	G649 H650 D667 K668 A669 A670 F672	G649-D665 PolarHBondContact N-OD2 2.94Å; H650-D665 PolarHBondContact N-OD1 3.21Å; D665-D667 PolarHBondContact OD1-N 3.39Å; D665-K668 HydrophobicContact CB-CB 4.14Å; D665-K668 PolarHBondContact OD1-N 3.19Å; D665-K668 WeakPolarHBondContact OD2-CD 3.06Å; D665-A669 PolarHBondContact O-N 2.99Å; D665-A669 VanDerWaalsContact O-N 3.16Å; D665-A670 PolarHBondContact N-O 3.07Å; D665-A670 PolarHBondContact O-N 3.44Å; D665-A670 VanDerWaalsContact O-N 3.15Å; D665-F672 HydrophobicContact CB-CD2 3.96Å; D665-F672 HydrophobicContact CB-CE2 3.91Å
666	R	90.6	Very high	92.8	Very high	115 Å²	115	24.5 Å²	24.5	43%	0.434	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-51.2	-169.7	-166.7	-179.9	-167.7	-124.5	-4.2	111.6	H650 K668 A669 D691	H650-R666 HydrophobicContact CB-CB 4.3Å; H650-R666 PolarHBondContact O-N 3.35Å; R666-K668 PolarHBondContact O-N 2.88Å; R666-A669 PolarHBondContact O-N 3.42Å; R666-D691 IonicContact CZ-OD1 3.76Å; R666-D691 IonicContact CZ-OD2 2.76Å; R666-D691 IonicContact NE-OD1 3.1Å; R666-D691 PolarHBondContact NE-OD1 2.71Å; R666-D691 IonicContact NE-OD2 3.84Å; R666-D691 IonicContact NH2-OD1 2.79Å; R666-D691 PolarHBondContact NH2-OD1 2.77Å; R666-D691 IonicContact NH2-OD2 2.79Å; R666-D691 PolarHBondContact NH2-OD2 3.16Å
667	D	88.4	Confident	92.2	Very high	117 Å²	117	25.8 Å²	25.8	63%	0.626	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-30.9	-177.7	-62.6	-5.5	0	0	0	111.8	H650 D665	H650-D667 HydrophobicContact CB-CB 4.4Å; H650-D667 VanDerWaalsContact CB-CG 3.43Å; H650-D667 WeakPolarHBondContact CB-OD1 3.37Å; H650-D667 WeakPolarHBondContact CB-OD2 3.33Å; D665-D667 PolarHBondContact OD1-N 3.39Å
668	K	88.8	Confident	91.7	Very high	74 Å²	74	29.5 Å²	29.5	32%	0.322	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.8	176.1	-60.5	-173.5	-178.1	-175.6	0	113.9	E646 R647 D665 R666 A670 F672	E646-K668 PolarHBondContact O-NZ 3.01Å; R647-K668 PolarHBondContact O-NZ 3.42Å; D665-K668 HydrophobicContact CB-CB 4.14Å; D665-K668 PolarHBondContact OD1-N 3.19Å; D665-K668 WeakPolarHBondContact OD2-CD 3.06Å; R666-K668 PolarHBondContact O-N 2.88Å; K668-A670 VanDerWaalsContact C-N 3.25Å; K668-A670 HydrophobicContact CB-CB 4.4Å; K668-A670 WeakPolarHBondContact O-CB 3.42Å; K668-A670 PolarHBondContact O-N 3.22Å; K668-F672 HydrophobicContact CB-CE2 3.9Å; K668-F672 HydrophobicContact CB-CZ 4.23Å; K668-F672 HydrophobicContact CD-CE2 3.65Å; K668-F672 HydrophobicContact CD-CZ 3.78Å; K668-F672 HydrophobicContact CG-CE2 4.43Å
669	A	93.1	Very high	91.3	Very high	26 Å²	26	28.4 Å²	28.4	22%	0.215	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	43.5	-180	0	0	0	0	0	113.3	D665 R666 E687 N688 L689	D665-A669 PolarHBondContact O-N 2.99Å; D665-A669 VanDerWaalsContact O-N 3.16Å; R666-A669 PolarHBondContact O-N 3.42Å; A669-E687 CarbonylContact O-C 3.51Å; A669-N688 PolarHBondContact O-N 3.16Å; A669-L689 WeakPolarHBondContact CB-O 3.06Å; A669-L689 VanDerWaalsContact O-CB 3.32Å; A669-L689 WeakPolarHBondContact O-CB 3.37Å; A669-L689 WeakPolarHBondContact O-CG 3.45Å; A669-L689 PolarHBondContact O-N 2.03Å
670	A	93.9	Very high	91.1	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	160.1	-166.3	0	0	0	0	0	114.3	D665 K668 F672 A686	D665-A670 PolarHBondContact N-O 3.07Å; D665-A670 PolarHBondContact O-N 3.44Å; D665-A670 VanDerWaalsContact O-N 3.15Å; K668-A670 VanDerWaalsContact C-N 3.25Å; K668-A670 HydrophobicContact CB-CB 4.4Å; K668-A670 WeakPolarHBondContact O-CB 3.42Å; K668-A670 PolarHBondContact O-N 3.22Å; A670-F672 HydrophobicContact CB-CD2 4.23Å; A670-F672 HydrophobicContact CB-CE2 3.61Å; A670-F672 HydrophobicContact CB-CZ 3.84Å; A670-A686 CarbonylContact C-O 3.51Å; A670-A686 VanDerWaalsContact CA-O 3.23Å; A670-A686 WeakPolarHBondContact CA-O 3.46Å; A670-A686 VanDerWaalsContact CB-O 3.32Å; A670-A686 WeakPolarHBondContact CB-O 3.46Å
671	V	95.8	Very high	90.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.5	165.9	172.8	0	0	0	0	108.3	F446 W663 T664 L685 A686 L689 I695	F446-V671 HydrophobicContact CD1-CG2 4.46Å; F446-V671 HydrophobicContact CD2-CG2 4.17Å; F446-V671 HydrophobicContact CE2-CG2 4.35Å; F446-V671 HydrophobicContact CG-CG2 4.23Å; W663-V671 WeakPolarHBondContact O-CA 3.45Å; T664-V671 HydrophobicContact CG2-CG2 3.99Å; V671-L685 HydrophobicContact CG1-CB 4.32Å; V671-L685 PolarHBondContact O-N 3.37Å; V671-A686 HydrophobicContact CB-CB 4.38Å; V671-A686 PolarHBondContact N-O 2.88Å; V671-A686 PolarHBondContact O-N 3.14Å; V671-L689 HydrophobicContact CG2-CD1 3.86Å; V671-I695 HydrophobicContact CG1-CD1 3.61Å; V671-I695 HydrophobicContact CG2-CD1 4.21Å
672	F	95.3	Very high	90.7	Very high	29 Å²	29	37.9 Å²	37.9	13%	0.127	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	162.9	179.4	-69.1	-79.1	0	0	0	112.3	Y662 W663 D665 K668 A670 I682 Q683 A684	Y662-F672 VanDerWaalsContact CA-O 3.29Å; Y662-F672 WeakPolarHBondContact CA-O 3.24Å; W663-F672 HydrophobicContact CD2-CB 3.76Å; W663-F672 VanDerWaalsContact CE2-CB 3.43Å; W663-F672 HydrophobicContact CE3-CB 3.99Å; W663-F672 HydrophobicContact CG-CB 4.49Å; W663-F672 HydrophobicContact CH2-CB 3.66Å; W663-F672 HydrophobicContact CH2-CG 4.49Å; W663-F672 HydrophobicContact CZ2-CB 3.4Å; W663-F672 HydrophobicContact CZ2-CD2 4.27Å; W663-F672 AromaticContact CZ2-CG 3.91Å; W663-F672 HydrophobicContact CZ2-CG 3.91Å; W663-F672 HydrophobicContact CZ3-CB 3.94Å; W663-F672 PolarHBondContact N-O 2.81Å; W663-F672 AromaticContact NE1-CD2 3.78Å; W663-F672 PolarHBondContact O-N 2.02Å; D665-F672 HydrophobicContact CB-CD2 3.96Å; D665-F672 HydrophobicContact CB-CE2 3.91Å; K668-F672 HydrophobicContact CB-CE2 3.9Å; K668-F672 HydrophobicContact CB-CZ 4.23Å; K668-F672 HydrophobicContact CD-CE2 3.65Å; K668-F672 HydrophobicContact CD-CZ 3.78Å; K668-F672 HydrophobicContact CG-CE2 4.43Å; A670-F672 HydrophobicContact CB-CD2 4.23Å; A670-F672 HydrophobicContact CB-CE2 3.61Å; A670-F672 HydrophobicContact CB-CZ 3.84Å; F672-I682 HydrophobicContact CD1-CG2 4.19Å; F672-Q683 CarbonylContact C-O 3.38Å; F672-Q683 WeakPolarHBondContact CA-O 3.44Å; F672-A684 HydrophobicContact CD1-CB 4.13Å; F672-A684 HydrophobicContact CE1-CB 3.95Å
673	M	94.4	Very high	90.5	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.044	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.7	178.1	171.2	-177.5	59.4	0	0	108.8	R660 I661 Y662 I682 Q683 L685	R660-M673 PolarHBondContact NH1-SD 3.05Å; R660-M673 VanDerWaalsContact NH1-SD 3.4Å; I661-M673 CarbonylContact O-C 3.58Å; I661-M673 WeakPolarHBondContact O-CA 3.28Å; Y662-M673 HydrophobicContact CD1-CB 3.82Å; Y662-M673 HydrophobicContact CD1-CG 3.89Å; Y662-M673 HydrophobicContact CD1-SD 4.44Å; Y662-M673 HydrophobicContact CE1-CB 3.94Å; Y662-M673 HydrophobicContact CE1-CG 3.53Å; Y662-M673 HydrophobicContact CE1-SD 3.6Å; M673-I682 CarbonylContact O-C 3.5Å; M673-I682 VanDerWaalsContact O-CA 3.3Å; M673-I682 WeakPolarHBondContact O-CA 3.25Å; M673-Q683 HydrophobicContact CE-CB 3.85Å; M673-Q683 HydrophobicContact CE-CG 4.27Å; M673-Q683 PolarHBondContact N-O 2.79Å; M673-Q683 PolarHBondContact O-N 3.32Å; M673-L685 HydrophobicContact CB-CD1 3.92Å; M673-L685 HydrophobicContact CB-CG 4.01Å; M673-L685 HydrophobicContact CE-CD2 3.8Å; M673-L685 HydrophobicContact CE-CG 4.39Å; M673-L685 HydrophobicContact SD-CD1 4.36Å; M673-L685 HydrophobicContact SD-CD2 4.24Å
674	A	93.6	Very high	90.3	Very high	2 Å²	2	42 Å²	42	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	163	172.2	0	0	0	0	0	111.6	M642 R660 I661 W663 I682	M642-A674 HydrophobicContact CE-CB 4.01Å; R660-A674 VanDerWaalsContact CA-O 3.3Å; R660-A674 WeakPolarHBondContact CA-O 3.08Å; I661-A674 PolarHBondContact N-O 3.18Å; I661-A674 PolarHBondContact O-N 2.83Å; W663-A674 HydrophobicContact CH2-CB 4.04Å; W663-A674 HydrophobicContact CZ3-CB 3.69Å; A674-I682 HydrophobicContact CB-CG1 4.03Å
675	N	90.5	Very high	90.1	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.139	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.4	169.6	-179.9	-85.1	0	0	0	110.9	D659 L677 T678 G679 Q680	D659-N675 WeakPolarHBondContact O-CA 3.43Å; D659-N675 PolarHBondContact O-ND2 3.41Å; D659-N675 PolarHBondContact OD2-ND2 2.79Å; D659-N675 VanDerWaalsContact OD2-ND2 3.09Å; N675-L677 VanDerWaalsContact C-N 3.32Å; N675-L677 PolarHBondContact O-N 2.82Å; N675-L677 WeakPolarHBondContact OD1-CB 3.44Å; N675-L677 PolarHBondContact OD1-N 2.88Å; N675-T678 PolarHBondContact OD1-N 2.72Å; N675-T678 PolarHBondContact OD1-OG1 2.89Å; N675-G679 WeakPolarHBondContact O-CA 3.34Å; N675-G679 PolarHBondContact O-N 3.1Å; N675-Q680 PolarHBondContact N-O 3.12Å
676	R	87.5	Confident	90	Very high	12 Å²	12	44 Å²	44	5%	0.045	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.5	-172.5	85.5	-175.4	-155.4	158.9	21.9	114.8	S408 D612 N615 H641 E658 D659 I661	S408-R676 PolarHBondContact O-NH2 3.35Å; D612-R676 IonicContact OD2-CZ 3.28Å; D612-R676 IonicContact OD2-NH1 2.67Å; D612-R676 PolarHBondContact OD2-NH1 2.76Å; D612-R676 IonicContact OD2-NH2 2.82Å; N615-R676 PolarHBondContact ND2-NH2 3.3Å; H641-R676 PolarHBondContact CE1-O 3.47Å; H641-R676 PolarHBondContact ND1-O 2.79Å; H641-R676 PolarHBondContact NE2-O 2.83Å; E658-R676 VanDerWaalsContact O-CD 3.25Å; E658-R676 WeakPolarHBondContact O-CD 3.24Å; E658-R676 PolarHBondContact O-NE 2.76Å; E658-R676 PolarHBondContact O-NH1 2.77Å; D659-R676 WeakPolarHBondContact O-CB 3.09Å; D659-R676 WeakPolarHBondContact O-CG 3.13Å; D659-R676 PolarHBondContact O-N 3.13Å; I661-R676 HydrophobicContact CD1-CB 3.95Å; I661-R676 HydrophobicContact CG1-CB 3.5Å; I661-R676 VanDerWaalsContact CG1-CB 3.5Å
677	L	82.9	Confident	90.1	Very high	29 Å²	29	44.6 Å²	44.6	15%	0.152	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-43.8	-177.7	-54.7	176.5	0	0	0	109.9	D405 R639 N675	D405-L677 WeakPolarHBondContact OD1-CA 3.46Å; D405-L677 WeakPolarHBondContact OD1-CB 3.47Å; R639-L677 PolarHBondContact NH2-O 3.06Å; N675-L677 VanDerWaalsContact C-N 3.32Å; N675-L677 PolarHBondContact O-N 2.82Å; N675-L677 WeakPolarHBondContact OD1-CB 3.44Å; N675-L677 PolarHBondContact OD1-N 2.88Å
678	T	81.2	Confident	90.2	Very high	81 Å²	81	46 Å²	46	50%	0.497	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-19.3	-175.5	61.2	0	0	0	0	114.9	N675 Q680	N675-T678 PolarHBondContact OD1-N 2.72Å; N675-T678 PolarHBondContact OD1-OG1 2.89Å; T678-Q680 PolarHBondContact O-N 2.64Å; T678-Q680 PolarHBondContact OG1-N 3.08Å
679	G	82.5	Confident	90.3	Very high	5 Å²	5	43.1 Å²	43.1	5%	0.052	23%	0.231	C	C	.	.	S	Bend	trans	66.8	20.1	-169.5	0	0	0	0	0	113.3	N675	N675-G679 WeakPolarHBondContact O-CA 3.34Å; N675-G679 PolarHBondContact O-N 3.1Å
680	Q	83.9	Confident	90.1	Very high	127 Å²	127	46.2 Å²	46.2	59%	0.593	24%	0.244	S	C	*	.			trans	-121.3	-172	-177.4	-59.3	176.5	20.2	0	0	110.6	N675 T678 I682	N675-Q680 PolarHBondContact N-O 3.12Å; T678-Q680 PolarHBondContact O-N 2.64Å; T678-Q680 PolarHBondContact OG1-N 3.08Å; Q680-I682 VanDerWaalsContact C-N 3.34Å
681	D	87.7	Confident	89.8	Confident	72 Å²	72	46.7 Å²	46.7	39%	0.385	25%	0.246	S	C	.	.			trans	54.5	46.9	-169.4	-171.7	38.8	0	0	0	112.5	R660 Q683	R660-D681 IonicContact CZ-OD2 2.7Å; R660-D681 VanDerWaalsContact CZ-OD2 3.27Å; R660-D681 IonicContact NH1-OD2 3.58Å; R660-D681 PolarHBondContact NH1-OD2 3.18Å; R660-D681 IonicContact NH2-OD2 4Å; R660-D681 PolarHBondContact NH2-OD2 3.23Å; D681-Q683 PolarHBondContact O-N 3.03Å; D681-Q683 PolarHBondContact OD1-NE2 3.34Å; D681-Q683 PolarHBondContact OD2-NE2 2.84Å
682	I	91.3	Very high	89.7	Confident	63 Å²	63	46.7 Å²	46.7	32%	0.323	25%	0.246	S	C	.	.			trans	-72.5	119.6	177.6	-56.7	177.8	0	0	0	109	M642 R647 W663 F672 M673 A674 Q680	M642-I682 HydrophobicContact CE-CD1 3.66Å; M642-I682 HydrophobicContact CE-CG1 4.06Å; M642-I682 HydrophobicContact SD-CD1 3.83Å; R647-I682 HydrophobicContact CB-CD1 4.32Å; R647-I682 HydrophobicContact CG-CD1 4.05Å; W663-I682 HydrophobicContact CH2-CG2 4.06Å; W663-I682 HydrophobicContact CZ2-CG2 4.49Å; F672-I682 HydrophobicContact CD1-CG2 4.19Å; M673-I682 CarbonylContact O-C 3.5Å; M673-I682 VanDerWaalsContact O-CA 3.3Å; M673-I682 WeakPolarHBondContact O-CA 3.25Å; A674-I682 HydrophobicContact CB-CG1 4.03Å; Q680-I682 VanDerWaalsContact C-N 3.34Å
683	Q	92	Very high	89.6	Confident	61 Å²	61	46.1 Å²	46.1	29%	0.285	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.9	177.3	-59.2	-178.2	23.3	0	0	109.9	R460 F672 M673 D681	R460-Q683 VanDerWaalsContact NH2-OE1 3.1Å; F672-Q683 CarbonylContact C-O 3.38Å; F672-Q683 WeakPolarHBondContact CA-O 3.44Å; M673-Q683 HydrophobicContact CE-CB 3.85Å; M673-Q683 HydrophobicContact CE-CG 4.27Å; M673-Q683 PolarHBondContact N-O 2.79Å; M673-Q683 PolarHBondContact O-N 3.32Å; D681-Q683 PolarHBondContact O-N 3.03Å; D681-Q683 PolarHBondContact OD1-NE2 3.34Å; D681-Q683 PolarHBondContact OD2-NE2 2.84Å
684	A	92.7	Very high	89.7	Confident	32 Å²	32	47 Å²	47	26%	0.264	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.9	164.7	0	0	0	0	0	110	F672 E687	F672-A684 HydrophobicContact CD1-CB 4.13Å; F672-A684 HydrophobicContact CE1-CB 3.95Å; A684-E687 HydrophobicContact CB-CG 3.8Å; A684-E687 WeakPolarHBondContact CB-OE1 3.49Å
685	L	92.3	Very high	89.8	Confident	34 Å²	34	47 Å²	47	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-31.2	172.9	-70.4	179.8	0	0	0	112.2	L444 I455 L457 Y662 V671 M673	L444-L685 HydrophobicContact CD1-CD1 3.7Å; I455-L685 HydrophobicContact CD1-CB 4.15Å; L457-L685 HydrophobicContact CD2-CD1 4.02Å; Y662-L685 HydrophobicContact CD1-CD1 3.69Å; Y662-L685 HydrophobicContact CE1-CD1 3.83Å; V671-L685 HydrophobicContact CG1-CB 4.32Å; V671-L685 PolarHBondContact O-N 3.37Å; M673-L685 HydrophobicContact CB-CD1 3.92Å; M673-L685 HydrophobicContact CB-CG 4.01Å; M673-L685 HydrophobicContact CE-CD2 3.8Å; M673-L685 HydrophobicContact CE-CG 4.39Å; M673-L685 HydrophobicContact SD-CD1 4.36Å; M673-L685 HydrophobicContact SD-CD2 4.24Å
686	A	91.8	Very high	90.1	Very high	8 Å²	8	46.9 Å²	46.9	7%	0.066	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	144.7	172.3	0	0	0	0	0	109.3	F446 I455 Y462 A670 V671 L689	F446-A686 HydrophobicContact CZ-CB 4.47Å; I455-A686 HydrophobicContact CD1-CB 3.97Å; Y462-A686 HydrophobicContact CE2-CB 3.89Å; A670-A686 CarbonylContact C-O 3.51Å; A670-A686 VanDerWaalsContact CA-O 3.23Å; A670-A686 WeakPolarHBondContact CA-O 3.46Å; A670-A686 VanDerWaalsContact CB-O 3.32Å; A670-A686 WeakPolarHBondContact CB-O 3.46Å; V671-A686 HydrophobicContact CB-CB 4.38Å; V671-A686 PolarHBondContact N-O 2.88Å; V671-A686 PolarHBondContact O-N 3.14Å; A686-L689 HydrophobicContact CB-CD1 4.29Å; A686-L689 HydrophobicContact CB-CD2 4.32Å
687	E	92.6	Very high	90.5	Very high	127 Å²	127	46.7 Å²	46.7	59%	0.593	25%	0.249	S	C	*	.			trans	-136.8	167.7	-177.4	-61.8	177.1	167.8	0	0	108.8	A669 A684 L689	A669-E687 CarbonylContact O-C 3.51Å; A684-E687 HydrophobicContact CB-CG 3.8Å; A684-E687 WeakPolarHBondContact CB-OE1 3.49Å; E687-L689 VanDerWaalsContact C-N 3.28Å; E687-L689 PolarHBondContact O-N 2.73Å
688	N	90.3	Very high	91.1	Very high	147 Å²	147	45.9 Å²	45.9	79%	0.786	24%	0.244	S	C	*	.	S	Bend	trans	57.9	41.1	-178.7	-53.8	-90.6	0	0	0	112.4	A669	A669-N688 PolarHBondContact O-N 3.16Å
689	L	91.4	Very high	91.7	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.068	22%	0.222	C	C	.	.			trans	-78.4	168	170.2	-54.8	177.8	0	0	0	109.8	F446 A669 V671 A686 E687 P692	F446-L689 HydrophobicContact CD2-CD1 4.4Å; F446-L689 HydrophobicContact CE2-CD1 3.7Å; F446-L689 HydrophobicContact CE2-CD2 3.85Å; F446-L689 HydrophobicContact CE2-CG 4.41Å; F446-L689 HydrophobicContact CZ-CD1 4.29Å; F446-L689 HydrophobicContact CZ-CD2 4.07Å; A669-L689 WeakPolarHBondContact CB-O 3.06Å; A669-L689 VanDerWaalsContact O-CB 3.32Å; A669-L689 WeakPolarHBondContact O-CB 3.37Å; A669-L689 WeakPolarHBondContact O-CG 3.45Å; A669-L689 PolarHBondContact O-N 2.03Å; V671-L689 HydrophobicContact CG2-CD1 3.86Å; A686-L689 HydrophobicContact CB-CD1 4.29Å; A686-L689 HydrophobicContact CB-CD2 4.32Å; E687-L689 VanDerWaalsContact C-N 3.28Å; E687-L689 PolarHBondContact O-N 2.73Å; L689-P692 HydrophobicContact CB-CB 4.26Å; L689-P692 HydrophobicContact CB-CG 4.16Å; L689-P692 HydrophobicContact CD1-CB 3.78Å; L689-P692 HydrophobicContact CD1-CG 4.21Å
690	N	88	Confident	92.2	Very high	92 Å²	92	47 Å²	47	49%	0.492	24%	0.242	S	C	.	.	S	Bend	trans	-98.1	-51.9	-177.6	-175.3	23	0	0	0	111.1	N448	N448-N690 PolarHBondContact OD1-N 2.93Å
691	D	89.1	Confident	92.6	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.064	22%	0.224	C	C	.	.			trans	-155.2	80.5	175	-150.2	-22.1	0	0	0	109.3	N448 R449 R666 H693	N448-D691 PolarHBondContact OD1-N 2.76Å; R449-D691 HydrophobicContact CB-CB 4Å; R449-D691 HydrophobicContact CG-CB 4.38Å; R666-D691 IonicContact CZ-OD1 3.76Å; R666-D691 IonicContact CZ-OD2 2.76Å; R666-D691 IonicContact NE-OD1 3.1Å; R666-D691 PolarHBondContact NE-OD1 2.71Å; R666-D691 IonicContact NE-OD2 3.84Å; R666-D691 IonicContact NH2-OD1 2.79Å; R666-D691 PolarHBondContact NH2-OD1 2.77Å; R666-D691 IonicContact NH2-OD2 2.79Å; R666-D691 PolarHBondContact NH2-OD2 3.16Å; D691-H693 PolarHBondContact O-N 2.99Å; D691-H693 VanDerWaalsContact O-N 3.15Å; D691-H693 PolarHBondContact O-ND1 3.11Å; D691-H693 IonicContact OD1-CE1 3.29Å; D691-H693 PolarHBondContact OD1-CE1 3.09Å; D691-H693 VanDerWaalsContact OD1-CE1 3.23Å; D691-H693 IonicContact OD1-ND1 2.85Å; D691-H693 IonicContact OD2-CE1 3.62Å
692	P	93.3	Very high	92.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	103.6	-175.1	29.9	-33.4	0	0	0	110.8	T447 T664 L689	T447-P692 WeakPolarHBondContact O-CA 3.28Å; T664-P692 WeakPolarHBondContact CB-O 3.09Å; T664-P692 HydrophobicContact CG2-CB 3.99Å; L689-P692 HydrophobicContact CB-CB 4.26Å; L689-P692 HydrophobicContact CB-CG 4.16Å; L689-P692 HydrophobicContact CD1-CB 3.78Å; L689-P692 HydrophobicContact CD1-CG 4.21Å
693	H	92.8	Very high	93	Very high	16 Å²	16	39.4 Å²	39.4	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-99.8	-178.6	-73.6	71.4	0	0	0	111.4	T447 V473 Y652 A653 T664 D691	T447-H693 PolarHBondContact O-N 2.87Å; V473-H693 VanDerWaalsContact O-CB 3.24Å; V473-H693 WeakPolarHBondContact O-CB 3.39Å; Y652-H693 HydrophobicContact CD1-CB 4.13Å; Y652-H693 WeakPolarHBondContact CD1-O 3.47Å; Y652-H693 HydrophobicContact CE1-CB 4.03Å; Y652-H693 AromaticContact CE1-CD2 3.99Å; Y652-H693 AromaticContact CE2-CD2 3.7Å; Y652-H693 AromaticContact CZ-CD2 3.52Å; A653-H693 WeakPolarHBondContact CB-O 3.04Å; T664-H693 WeakPolarHBondContact CB-O 3.32Å; T664-H693 WeakPolarHBondContact CG2-O 3.35Å; T664-H693 PolarHBondContact OG1-O 2.76Å; D691-H693 PolarHBondContact O-N 2.99Å; D691-H693 VanDerWaalsContact O-N 3.15Å; D691-H693 PolarHBondContact O-ND1 3.11Å; D691-H693 IonicContact OD1-CE1 3.29Å; D691-H693 PolarHBondContact OD1-CE1 3.09Å; D691-H693 VanDerWaalsContact OD1-CE1 3.23Å; D691-H693 IonicContact OD1-ND1 2.85Å; D691-H693 IonicContact OD2-CE1 3.62Å
694	D	96	Very high	92.9	Very high	28 Å²	28	38.3 Å²	38.3	15%	0.15	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	155	-172.6	-159.8	3.2	0	0	0	113.8	F446 T447 V473 A474 L475	F446-D694 WeakPolarHBondContact CA-O 3.33Å; F446-D694 WeakPolarHBondContact CB-O 3.49Å; T447-D694 PolarHBondContact N-O 2.97Å; T447-D694 VanDerWaalsContact N-O 3.13Å; T447-D694 PolarHBondContact OG1-N 3.33Å; T447-D694 PolarHBondContact OG1-O 2.81Å; V473-D694 VanDerWaalsContact O-CB 3.31Å; V473-D694 WeakPolarHBondContact O-CB 3.06Å; V473-D694 PolarHBondContact O-N 3.49Å; A474-D694 WeakPolarHBondContact CA-OD2 3.49Å; L475-D694 HydrophobicContact CD2-CB 4.45Å; L475-D694 PolarHBondContact N-OD2 2.91Å
695	I	96.9	Very high	92.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	129.6	-177.2	-171.6	165.3	0	0	0	113.3	L444 L445 F446 A653 T664 V671	L444-I695 HydrophobicContact CD1-CD1 4.25Å; L445-I695 WeakPolarHBondContact O-CA 3.07Å; F446-I695 HydrophobicContact CB-CB 4.09Å; F446-I695 HydrophobicContact CB-CD1 4.3Å; F446-I695 HydrophobicContact CB-CG1 4.03Å; A653-I695 HydrophobicContact CB-CG2 3.96Å; T664-I695 HydrophobicContact CG2-CB 3.94Å; T664-I695 HydrophobicContact CG2-CD1 4.33Å; T664-I695 HydrophobicContact CG2-CG2 4.04Å; V671-I695 HydrophobicContact CG1-CD1 3.61Å; V671-I695 HydrophobicContact CG2-CD1 4.21Å
696	V	96.8	Very high	92.6	Very high	24 Å²	24	42.5 Å²	42.5	15%	0.145	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	153.8	-176.4	-70.7	0	0	0	0	112.4	L444 L445 L475 L477	L444-V696 WeakPolarHBondContact CA-O 3.38Å; L445-V696 HydrophobicContact CB-CG2 4.19Å; L445-V696 PolarHBondContact N-O 3.2Å; L445-V696 PolarHBondContact O-N 2.04Å; L475-V696 HydrophobicContact CD1-CG2 3.45Å; L475-V696 VanDerWaalsContact CD1-CG2 3.45Å; L475-V696 HydrophobicContact CG-CG2 3.9Å; L477-V696 HydrophobicContact CD1-CB 4.25Å; L477-V696 HydrophobicContact CD1-CG2 3.58Å; L477-V696 HydrophobicContact CG-CG2 3.9Å
697	V	96	Very high	92.4	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.3	179.2	172.9	0	0	0	0	110.2	L444 A655 F657 H699 R702	L444-V697 HydrophobicContact CD2-CB 4.48Å; L444-V697 HydrophobicContact CD2-CG2 3.5Å; A655-V697 HydrophobicContact CB-CG2 3.68Å; F657-V697 HydrophobicContact CB-CG1 4.09Å; F657-V697 HydrophobicContact CB-CG2 4.09Å; F657-V697 HydrophobicContact CD2-CG1 3.84Å; F657-V697 HydrophobicContact CE2-CG1 4.44Å; F657-V697 HydrophobicContact CG-CG1 3.92Å; V697-H699 HydrophobicContact CG1-CB 4.24Å; V697-H699 PolarHBondContact O-N 3.33Å; V697-R702 HydrophobicContact CB-CG 4.1Å; V697-R702 HydrophobicContact CG1-CG 3.88Å
698	F	94.7	Very high	92.1	Very high	12 Å²	12	41.5 Å²	41.5	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	102.2	166.3	-169.9	-79.1	0	0	0	109.7	Y443 L477 V479 I499	Y443-F698 HydrophobicContact CD1-CB 4.28Å; Y443-F698 AromaticContact CD1-CD1 3.99Å; Y443-F698 HydrophobicContact CD1-CD1 3.99Å; Y443-F698 HydrophobicContact CD1-CG 4.4Å; Y443-F698 HydrophobicContact CD2-CB 3.74Å; Y443-F698 HydrophobicContact CD2-CG 4.3Å; Y443-F698 HydrophobicContact CE1-CB 4.09Å; Y443-F698 AromaticContact CE1-CD1 3.23Å; Y443-F698 HydrophobicContact CE1-CD1 3.23Å; Y443-F698 AromaticContact CE1-CE1 3.76Å; Y443-F698 HydrophobicContact CE1-CE1 3.76Å; Y443-F698 AromaticContact CE1-CG 3.75Å; Y443-F698 HydrophobicContact CE1-CG 3.75Å; Y443-F698 HydrophobicContact CE2-CB 3.54Å; Y443-F698 HydrophobicContact CE2-CD1 4.05Å; Y443-F698 HydrophobicContact CE2-CD2 4.11Å; Y443-F698 AromaticContact CE2-CG 3.64Å; Y443-F698 HydrophobicContact CE2-CG 3.64Å; Y443-F698 HydrophobicContact CG-CB 4.12Å; Y443-F698 AromaticContact CZ-CD1 3.28Å; Y443-F698 AromaticContact CZ-CD2 3.84Å; Y443-F698 AromaticContact CZ-CE1 3.78Å; Y443-F698 AromaticContact CZ-CG 3.32Å; Y443-F698 PolarHBondContact N-O 3.05Å; Y443-F698 PolarHBondContact O-N 2.97Å; Y443-F698 WeakPolarHBondContact OH-CD1 3.43Å; Y443-F698 WeakPolarHBondContact OH-CD2 2.99Å; Y443-F698 WeakPolarHBondContact OH-CE1 3.34Å; Y443-F698 WeakPolarHBondContact OH-CE2 3.11Å; Y443-F698 WeakPolarHBondContact OH-CG 2.99Å; Y443-F698 WeakPolarHBondContact OH-CZ 3Å; L477-F698 HydrophobicContact CD1-CB 4.04Å; L477-F698 HydrophobicContact CD1-CD2 4.14Å; V479-F698 HydrophobicContact CB-CE2 4.21Å; V479-F698 HydrophobicContact CB-CZ 4.38Å; V479-F698 HydrophobicContact CG1-CD1 4.22Å; V479-F698 HydrophobicContact CG1-CD2 4.4Å; V479-F698 HydrophobicContact CG1-CE1 3.88Å; V479-F698 HydrophobicContact CG1-CE2 4.07Å; V479-F698 HydrophobicContact CG1-CG 4.47Å; V479-F698 HydrophobicContact CG1-CZ 3.79Å; V479-F698 HydrophobicContact CG2-CD2 3.97Å; V479-F698 HydrophobicContact CG2-CE2 4.14Å; V479-F698 HydrophobicContact CG2-CG 4.34Å; I499-F698 HydrophobicContact CD1-CD2 3.85Å; I499-F698 HydrophobicContact CD1-CE2 3.59Å
699	H	94.6	Very high	91.9	Very high	5 Å²	5	35 Å²	35	2%	0.023	20%	0.201	C	C	.	.			trans	-156.2	145	164.4	-165.5	-103.1	0	0	0	111.2	K440 P442 F657 V697 L701 R702	K440-H699 PolarHBondContact O-CD2 3.09Å; K440-H699 PolarHBondContact O-NE2 3.47Å; P442-H699 HydrophobicContact CB-CB 4.19Å; F657-H699 HydrophobicContact CD2-CB 4.45Å; F657-H699 HydrophobicContact CE2-CB 3.61Å; F657-H699 AromaticContact CE2-CG 3.79Å; F657-H699 AromaticContact CE2-ND1 3.71Å; F657-H699 HydrophobicContact CZ-CB 3.73Å; F657-H699 AromaticContact CZ-CG 3.49Å; F657-H699 VanDerWaalsContact CZ-CG 3.49Å; F657-H699 AromaticContact CZ-ND1 3.45Å; F657-H699 WeakPolarHBondContact CZ-ND1 3.46Å; V697-H699 HydrophobicContact CG1-CB 4.24Å; V697-H699 PolarHBondContact O-N 3.33Å; H699-L701 VanDerWaalsContact C-N 3.25Å; H699-L701 PolarHBondContact ND1-N 3.47Å; H699-L701 PolarHBondContact O-N 2.03Å; H699-R702 HydrophobicContact CB-CG 4.39Å; H699-R702 VanDerWaalsContact O-CB 3.29Å; H699-R702 WeakPolarHBondContact O-CB 3.34Å; H699-R702 PolarHBondContact O-N 2.92Å
700	Q	92.1	Very high	91.6	Very high	103 Å²	103	34.8 Å²	34.8	48%	0.481	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-61.1	-33.3	-174.3	-72	-179.9	-41.1	0	0	112.9	V479 R702 Q703	V479-Q700 HydrophobicContact CG1-CG 3.91Å; Q700-R702 PolarHBondContact O-N 3.11Å; Q700-Q703 CarbonylContact O-C 3.58Å; Q700-Q703 VanDerWaalsContact O-C 3.22Å; Q700-Q703 PolarHBondContact O-N 3.03Å
701	L	92.6	Very high	91.4	Very high	42 Å²	42	34.9 Å²	34.9	22%	0.22	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-71	-10.8	176.5	-54.8	171.9	0	0	0	114.2	G425 Y426 A437 H699 Q703	G425-L701 WeakPolarHBondContact O-CD1 3.38Å; Y426-L701 HydrophobicContact CD1-CD1 4.32Å; Y426-L701 HydrophobicContact CD2-CD1 3.99Å; Y426-L701 HydrophobicContact CE1-CD1 3.99Å; Y426-L701 HydrophobicContact CE2-CB 4.08Å; Y426-L701 HydrophobicContact CE2-CD1 3.64Å; Y426-L701 HydrophobicContact CE2-CG 4.34Å; Y426-L701 HydrophobicContact CG-CD1 4.31Å; A437-L701 HydrophobicContact CB-CD1 3.67Å; H699-L701 VanDerWaalsContact C-N 3.25Å; H699-L701 PolarHBondContact ND1-N 3.47Å; H699-L701 PolarHBondContact O-N 2.03Å; L701-Q703 VanDerWaalsContact C-N 3.32Å
702	R	92.6	Very high	90.6	Very high	39 Å²	39	39.2 Å²	39.2	15%	0.147	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-74	-26.8	168	-70.6	-69.4	-52.1	161.1	18.4	112	L611 V656 F657 V697 H699 Q700 P704	L611-R702 VanDerWaalsContact O-CZ 3.24Å; L611-R702 PolarHBondContact O-NH1 2.88Å; L611-R702 PolarHBondContact O-NH2 3.45Å; V656-R702 PolarHBondContact O-NH1 2.97Å; F657-R702 HydrophobicContact CD2-CG 4.09Å; F657-R702 HydrophobicContact CE2-CG 4.31Å; V697-R702 HydrophobicContact CB-CG 4.1Å; V697-R702 HydrophobicContact CG1-CG 3.88Å; H699-R702 HydrophobicContact CB-CG 4.39Å; H699-R702 VanDerWaalsContact O-CB 3.29Å; H699-R702 WeakPolarHBondContact O-CB 3.34Å; H699-R702 PolarHBondContact O-N 2.92Å; Q700-R702 PolarHBondContact O-N 3.11Å; R702-P704 VanDerWaalsContact C-CD 3.44Å; R702-P704 WeakPolarHBondContact O-CD 3.19Å
703	Q	93.9	Very high	89.4	Confident	23 Å²	23	41.9 Å²	41.9	11%	0.107	25%	0.251	C	S	.	.	S	Bend	trans	-126.9	65.2	-177.2	-67.5	-171.9	-23.9	0	0	110.1	L477 V479 W526 Q700 L701	L477-Q703 PolarHBondContact O-NE2 3.48Å; V479-Q703 VanDerWaalsContact CB-OE1 3.32Å; V479-Q703 HydrophobicContact CG2-CG 4.35Å; W526-Q703 HydrophobicContact CD2-CB 3.73Å; W526-Q703 HydrophobicContact CD2-CG 3.6Å; W526-Q703 HydrophobicContact CE3-CB 4.3Å; W526-Q703 HydrophobicContact CE3-CG 3.64Å; W526-Q703 HydrophobicContact CG-CB 3.86Å; W526-Q703 HydrophobicContact CG-CG 4.03Å; W526-Q703 HydrophobicContact CH2-CG 4.35Å; W526-Q703 HydrophobicContact CZ2-CB 4.26Å; W526-Q703 HydrophobicContact CZ2-CG 4.33Å; W526-Q703 HydrophobicContact CZ3-CG 4.03Å; Q700-Q703 CarbonylContact O-C 3.58Å; Q700-Q703 VanDerWaalsContact O-C 3.22Å; Q700-Q703 PolarHBondContact O-N 3.03Å; L701-Q703 VanDerWaalsContact C-N 3.32Å
704	P	91.6	Very high	88.1	Confident	38 Å²	38	47.5 Å²	47.5	25%	0.247	29%	0.292	C	S	.	.			trans	-60.1	139.2	-177	23.2	-32.4	0	0	0	111	W526 H570 V613 R702	W526-P704 PolarHBondContact NE1-O 2.77Å; H570-P704 PolarHBondContact NE2-O 3.48Å; V613-P704 HydrophobicContact CG1-CG 3.98Å; R702-P704 VanDerWaalsContact C-CD 3.44Å; R702-P704 WeakPolarHBondContact O-CD 3.19Å
705	P	90.8	Very high	87.2	Confident	124 Å²	124	50 Å²	50	81%	0.805	31%	0.308	S	S	*	.			trans	-66.4	145.5	-178.4	28.6	-35.3	0	0	0	110.9	H570	H570-P705 PolarHBondContact CE1-O 3Å
706	G	87.8	Confident	86.6	Confident	30 Å²	30	53.5 Å²	53.5	31%	0.309	34%	0.337	S	S	.	.			trans	-152.1	167.4	-178.9	0	0	0	0	0	111.9	D708	G706-D708 PolarHBondContact O-N 3.44Å
707	P	87.3	Confident	86.1	Confident	83 Å²	83	54.5 Å²	54.5	54%	0.539	34%	0.342	S	S	.	.			trans	-74.8	123.1	176	30.2	-32.7	0	0	0	110.5	S709 L712	P707-S709 PolarHBondContact O-N 3.3Å; P707-L712 HydrophobicContact CB-CD1 3.99Å; P707-L712 HydrophobicContact CB-CG 4.34Å
708	D	85.8	Confident	85.6	Confident	31 Å²	31	54.2 Å²	54.2	17%	0.166	34%	0.34	C	S	.	.			trans	-58.9	124.4	164.7	176.2	18	0	0	0	109.2	L527 Q528 G706 C710 N711 L712	L527-D708 WeakPolarHBondContact O-CB 3.32Å; Q528-D708 WeakPolarHBondContact CG-OD1 3.06Å; Q528-D708 PolarHBondContact NE2-OD1 2.78Å; G706-D708 PolarHBondContact O-N 3.44Å; D708-C710 VanDerWaalsContact C-N 3.32Å; D708-C710 PolarHBondContact OD1-N 3.13Å; D708-N711 WeakPolarHBondContact OD2-CB 3.45Å; D708-N711 VanDerWaalsContact OD2-CG 3.32Å; D708-N711 PolarHBondContact OD2-N 3.03Å; D708-N711 PolarHBondContact OD2-ND2 3.17Å; D708-L712 VanDerWaalsContact O-CB 3.3Å; D708-L712 WeakPolarHBondContact O-CB 3.01Å; D708-L712 WeakPolarHBondContact O-CG 3.45Å
709	S	85.1	Confident	85.3	Confident	10 Å²	10	54.7 Å²	54.7	7%	0.07	35%	0.348	C	S	.	.	S	Bend	trans	-73.8	-23.3	179.9	-63.5	0	0	0	0	113.1	P707 K726 Y737	P707-S709 PolarHBondContact O-N 3.3Å; S709-K726 WeakPolarHBondContact OG-CE 3.15Å; S709-Y737 WeakPolarHBondContact O-CD1 3.36Å; S709-Y737 WeakPolarHBondContact O-CE1 3.49Å
710	C	85.4	Confident	85.1	Confident	8 Å²	8	54.9 Å²	54.9	5%	0.054	35%	0.35	C	S	.	.	S	Bend	trans	-87.3	-37.1	-176.7	-70.6	0	0	0	0	113.1	Q528 D708 G718 C724	Q528-C710 PolarHBondContact NE2-SG 3.2Å; D708-C710 VanDerWaalsContact C-N 3.32Å; D708-C710 PolarHBondContact OD1-N 3.13Å; C710-G718 WeakPolarHBondContact O-CA 3.29Å; C710-G718 PolarHBondContact O-N 3.17Å; C710-C724 HydrophobicContact CB-CB 3.86Å; C710-C724 WeakPolarHBondContact CB-SG 3.38Å; C710-C724 VanDerWaalsContact SG-C 3.59Å; C710-C724 WeakPolarHBondContact SG-CB 3.45Å; C710-C724 CovalentContact SG-SG 2.03Å; C710-C724 PolarHBondContact SG-SG 2.03Å
711	N	83.9	Confident	85	Confident	95 Å²	95	55.9 Å²	55.9	51%	0.508	36%	0.355	S	S	.	.	S	Bend	trans	-102.2	22.1	179.4	-61.5	-62.6	0	0	0	114.1	D708 G713 A716 N717	D708-N711 WeakPolarHBondContact OD2-CB 3.45Å; D708-N711 VanDerWaalsContact OD2-CG 3.32Å; D708-N711 PolarHBondContact OD2-N 3.03Å; D708-N711 PolarHBondContact OD2-ND2 3.17Å; N711-G713 PolarHBondContact O-N 3.08Å; N711-A716 WeakPolarHBondContact OD1-CA 3.31Å; N711-N717 PolarHBondContact OD1-N 3.32Å
712	L	72.6	Confident	85	Confident	103 Å²	103	56.4 Å²	56.4	54%	0.539	35%	0.354	S	S	.	.	S	Bend	trans	-74.9	21.4	-176.9	-123.2	176.4	0	0	0	115	P707 D708	P707-L712 HydrophobicContact CB-CD1 3.99Å; P707-L712 HydrophobicContact CB-CG 4.34Å; D708-L712 VanDerWaalsContact O-CB 3.3Å; D708-L712 WeakPolarHBondContact O-CB 3.01Å; D708-L712 WeakPolarHBondContact O-CG 3.45Å
713	G	69.3	Low	85	Confident	55 Å²	55	54.7 Å²	54.7	57%	0.567	35%	0.348	S	S	*	.	S	Bend	trans	-177.2	-172.9	-177.2	0	0	0	0	0	113.5	N711 V715	N711-G713 PolarHBondContact O-N 3.08Å; G713-V715 PolarHBondContact O-N 2.75Å
714	S	65.3	Low	85	Confident	135 Å²	135	53.8 Å²	53.8	94%	0.944	34%	0.344	S	S	*	.	S	Bend	trans	-69.6	11.9	-171.9	-41.9	0	0	0	0	116.4
715	V	77.2	Confident	85.1	Confident	81 Å²	81	52 Å²	52	49%	0.491	33%	0.332	S	S	.	.	S	Bend	trans	-130.2	113.4	-178.7	-171.5	0	0	0	0	107.9	G713 G719	G713-V715 PolarHBondContact O-N 2.75Å; V715-G719 VanDerWaalsContact CG1-CA 3.49Å
716	A	83.8	Confident	85.2	Confident	74 Å²	74	46.4 Å²	46.4	61%	0.612	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-62.2	152.5	177.8	0	0	0	0	0	111.7	N711 G718 G719	N711-A716 WeakPolarHBondContact OD1-CA 3.31Å; A716-G718 PolarHBondContact O-N 3.31Å; A716-G718 VanDerWaalsContact O-N 3.12Å; A716-G719 PolarHBondContact O-N 3.29Å
717	N	86.3	Confident	85.4	Confident	46 Å²	46	45.1 Å²	45.1	25%	0.246	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	54.2	31.4	175.7	-164.4	45.9	0	0	0	113.6	N711 G719 C720 Y722 C724	N711-N717 PolarHBondContact OD1-N 3.32Å; N717-G719 PolarHBondContact O-N 2.8Å; N717-C720 PolarHBondContact ND2-O 3.5Å; N717-C720 VanDerWaalsContact O-CB 3.27Å; N717-C720 WeakPolarHBondContact O-CB 3.46Å; N717-C720 PolarHBondContact O-N 2.66Å; N717-C720 PolarHBondContact O-SG 3.29Å; N717-Y722 PolarHBondContact ND2-O 2.75Å; N717-C724 WeakPolarHBondContact O-CB 3.45Å; N717-C724 WeakPolarHBondContact OD1-CB 3.49Å
718	G	84.3	Confident	85.7	Confident	2 Å²	2	41.5 Å²	41.5	2%	0.021	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	65.2	1.7	-175.3	0	0	0	0	0	115.4	C710 A716 C720 Y737 R752	C710-G718 WeakPolarHBondContact O-CA 3.29Å; C710-G718 PolarHBondContact O-N 3.17Å; A716-G718 PolarHBondContact O-N 3.31Å; A716-G718 VanDerWaalsContact O-N 3.12Å; G718-C720 VanDerWaalsContact C-N 3.33Å; G718-Y737 PolarHBondContact O-OH 2.63Å; G718-Y737 VanDerWaalsContact O-OH 3.09Å; G718-R752 PolarHBondContact O-NH2 3.32Å; G718-R752 VanDerWaalsContact O-NH2 3.13Å
719	G	88.3	Confident	85.9	Confident	21 Å²	21	42.9 Å²	42.9	22%	0.216	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	73.7	22.3	-163.9	0	0	0	0	0	114	V715 A716 N717 R752	V715-G719 VanDerWaalsContact CG1-CA 3.49Å; A716-G719 PolarHBondContact O-N 3.29Å; N717-G719 PolarHBondContact O-N 2.8Å; G719-R752 WeakPolarHBondContact O-CD 3.06Å
720	C	91.1	Very high	86	Confident	10 Å²	10	47.1 Å²	47.1	7%	0.068	29%	0.285	C	S	.	.			trans	-81.9	140.6	169.3	-55.6	0	0	0	0	110.5	N717 G718 C724 C739	N717-C720 PolarHBondContact ND2-O 3.5Å; N717-C720 VanDerWaalsContact O-CB 3.27Å; N717-C720 WeakPolarHBondContact O-CB 3.46Å; N717-C720 PolarHBondContact O-N 2.66Å; N717-C720 PolarHBondContact O-SG 3.29Å; G718-C720 VanDerWaalsContact C-N 3.33Å; C720-C724 HydrophobicContact CB-CB 4.15Å; C720-C739 WeakPolarHBondContact CA-SG 3.46Å; C720-C739 HydrophobicContact CB-CB 3.56Å; C720-C739 WeakPolarHBondContact CB-SG 3.46Å; C720-C739 WeakPolarHBondContact SG-CA 3.46Å; C720-C739 WeakPolarHBondContact SG-CB 3.48Å; C720-C739 CovalentContact SG-SG 2.03Å; C720-C739 PolarHBondContact SG-SG 2.87Å
721	E	91.3	Very high	86	Confident	124 Å²	124	50.5 Å²	50.5	58%	0.579	31%	0.305	S	S	*	.	S	Bend	trans	-66.1	-51.4	176.6	-175.8	179.8	165.6	0	0	111.5	R752 G753 C754	E721-R752 PolarHBondContact N-O 2.86Å; E721-R752 VanDerWaalsContact N-O 3.09Å; E721-G753 WeakPolarHBondContact OE2-CA 3.01Å; E721-C754 PolarHBondContact OE2-N 3.39Å
722	Y	91.8	Very high	86	Confident	52 Å²	52	55.2 Å²	55.2	20%	0.204	32%	0.324	C	S	.	.	S	Bend	trans	-101.8	-103.9	-175.1	-163.7	-109.3	0	0	0	112.3	K550 R551 N717 A740 P742	K550-Y722 WeakPolarHBondContact CA-OH 3.46Å; K550-Y722 HydrophobicContact CB-CE1 4Å; K550-Y722 HydrophobicContact CB-CE2 4.07Å; K550-Y722 HydrophobicContact CD-CD2 4.18Å; K550-Y722 HydrophobicContact CD-CE2 4.31Å; K550-Y722 HydrophobicContact CD-CG 4.43Å; K550-Y722 WeakPolarHBondContact CD-O 3.49Å; K550-Y722 HydrophobicContact CG-CD2 4.14Å; K550-Y722 HydrophobicContact CG-CE2 3.77Å; K550-Y722 PolarHBondContact NZ-O 2.89Å; R551-Y722 PolarHBondContact N-OH 3.41Å; R551-Y722 WeakPolarHBondContact O-CE1 3.06Å; R551-Y722 PolarHBondContact O-OH 3.31Å; N717-Y722 PolarHBondContact ND2-O 2.75Å; Y722-A740 WeakPolarHBondContact CB-O 3.42Å; Y722-P742 HydrophobicContact CD1-CG 4.01Å; Y722-P742 HydrophobicContact CD2-CG 3.86Å; Y722-P742 HydrophobicContact CE1-CB 4.31Å; Y722-P742 HydrophobicContact CE1-CG 3.95Å; Y722-P742 HydrophobicContact CE2-CG 3.81Å; Y722-P742 HydrophobicContact CG-CG 3.95Å
723	L	92.8	Very high	86.5	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	144.9	178.3	-73.3	166.8	0	0	0	111.2	V543 K550 R552 L725 C739 A740	V543-L723 HydrophobicContact CG1-CD1 4.17Å; K550-L723 HydrophobicContact CB-CD2 3.67Å; K550-L723 HydrophobicContact CB-CG 4.02Å; K550-L723 HydrophobicContact CD-CD2 4.24Å; R552-L723 HydrophobicContact CB-CD1 4.08Å; L723-L725 HydrophobicContact CB-CD2 4.23Å; L723-L725 HydrophobicContact CB-CG 4.27Å; L723-C739 CarbonylContact O-C 3.53Å; L723-C739 WeakPolarHBondContact O-CA 3.22Å; L723-A740 HydrophobicContact CB-CB 4.23Å; L723-A740 PolarHBondContact N-O 3.36Å; L723-A740 PolarHBondContact O-N 2.03Å
724	C	93.1	Very high	87.3	Confident	3 Å²	3	57 Å²	57	2%	0.02	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.7	166	-176.3	0	0	0	0	107.6	N530 C710 N717 C720 Y737	N530-C724 PolarHBondContact ND2-O 2.66Å; C710-C724 HydrophobicContact CB-CB 3.86Å; C710-C724 WeakPolarHBondContact CB-SG 3.38Å; C710-C724 VanDerWaalsContact SG-C 3.59Å; C710-C724 WeakPolarHBondContact SG-CB 3.45Å; C710-C724 CovalentContact SG-SG 2.03Å; C710-C724 PolarHBondContact SG-SG 2.03Å; N717-C724 WeakPolarHBondContact O-CB 3.45Å; N717-C724 WeakPolarHBondContact OD1-CB 3.49Å; C720-C724 HydrophobicContact CB-CB 4.15Å; C724-Y737 WeakPolarHBondContact SG-CD2 3.37Å
725	L	94.1	Very high	88.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.9	-173.5	-58.1	179.9	0	0	0	110.3	V543 L554 N591 L723 A727 Y737 T738 A740	V543-L725 HydrophobicContact CG1-CD1 4.04Å; V543-L725 HydrophobicContact CG1-CD2 4.22Å; V543-L725 HydrophobicContact CG2-CD2 4.04Å; L554-L725 HydrophobicContact CD2-CD1 3.89Å; N591-L725 HydrophobicContact CB-CB 3.92Å; N591-L725 HydrophobicContact CB-CD1 4.46Å; L723-L725 HydrophobicContact CB-CD2 4.23Å; L723-L725 HydrophobicContact CB-CG 4.27Å; L725-A727 PolarHBondContact O-N 3.17Å; L725-Y737 CarbonylContact O-C 3.47Å; L725-Y737 VanDerWaalsContact O-CA 3.27Å; L725-Y737 WeakPolarHBondContact O-CA 3.39Å; L725-Y737 WeakPolarHBondContact O-CB 3.4Å; L725-T738 PolarHBondContact N-O 3.45Å; L725-T738 PolarHBondContact O-N 2.66Å; L725-A740 HydrophobicContact CD1-CB 3.66Å; L725-A740 HydrophobicContact CG-CB 4.14Å
726	K	92.4	Very high	88.9	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.035	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	135.6	177.6	-154.2	161.5	-177.3	165.6	0	111.4	P569 H570 N591 S709 K736	P569-K726 WeakPolarHBondContact O-CD 3.02Å; P569-K726 WeakPolarHBondContact O-CE 3.03Å; P569-K726 PolarHBondContact O-NZ 2.97Å; H570-K726 WeakPolarHBondContact O-CE 3.35Å; H570-K726 PolarHBondContact O-NZ 3.04Å; N591-K726 PolarHBondContact N-O 3.27Å; S709-K726 WeakPolarHBondContact OG-CE 3.15Å; K726-K736 WeakPolarHBondContact CG-O 3.34Å
727	A	91.6	Very high	89.3	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-99.8	150.6	-178.2	0	0	0	0	0	111	L725 Q729 P735 K736 T738	L725-A727 PolarHBondContact O-N 3.17Å; A727-Q729 PolarHBondContact O-N 3.36Å; A727-Q729 PolarHBondContact O-NE2 2.84Å; A727-P735 HydrophobicContact CB-CG 4.27Å; A727-P735 WeakPolarHBondContact CB-O 3.49Å; A727-K736 PolarHBondContact N-O 3.36Å; A727-K736 VanDerWaalsContact N-O 3.12Å; A727-T738 HydrophobicContact CB-CG2 4.17Å
728	P	93.8	Very high	89.6	Confident	8 Å²	8	55.8 Å²	55.8	5%	0.052	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-67.4	123.2	-175.2	24.9	-33	0	0	0	112	F573 N591 V593 D594 I730	F573-P728 HydrophobicContact CD1-CB 3.86Å; F573-P728 HydrophobicContact CE1-CB 3.34Å; F573-P728 HydrophobicContact CE2-CB 4.19Å; F573-P728 HydrophobicContact CG-CB 4.49Å; F573-P728 HydrophobicContact CZ-CB 3.54Å; N591-P728 WeakPolarHBondContact OD1-CD 3.32Å; V593-P728 HydrophobicContact CG2-CG 3.9Å; D594-P728 HydrophobicContact CB-CG 4.34Å; P728-I730 VanDerWaalsContact C-N 3.27Å; P728-I730 HydrophobicContact CB-CD1 4.47Å; P728-I730 HydrophobicContact CB-CG1 4.13Å; P728-I730 HydrophobicContact CG-CD1 4.36Å; P728-I730 PolarHBondContact O-N 2.58Å
729	Q	90	Very high	90	Very high	59 Å²	59	56.4 Å²	56.4	28%	0.276	29%	0.286	S	S	.	.			trans	-81.6	71.4	179.8	-58.4	-52.5	-82.4	0	0	110.9	H571 A727 P735	H571-Q729 WeakPolarHBondContact O-CB 3.38Å; H571-Q729 WeakPolarHBondContact O-CG 3.48Å; H571-Q729 PolarHBondContact O-N 2.99Å; A727-Q729 PolarHBondContact O-N 3.36Å; A727-Q729 PolarHBondContact O-NE2 2.84Å; Q729-P735 PolarHBondContact NE2-O 3.09Å
730	I	87.7	Confident	90.2	Very high	100 Å²	100	56 Å²	56	51%	0.513	28%	0.281	S	S	.	.	S	Bend	trans	-75.8	-35.3	179.2	-51	168.3	0	0	0	111.3	F573 D594 P728 S734	F573-I730 HydrophobicContact CZ-CG1 4.14Å; D594-I730 HydrophobicContact CB-CD1 4.29Å; D594-I730 VanDerWaalsContact OD2-CD1 3.24Å; D594-I730 WeakPolarHBondContact OD2-CD1 3.04Å; P728-I730 VanDerWaalsContact C-N 3.27Å; P728-I730 HydrophobicContact CB-CD1 4.47Å; P728-I730 HydrophobicContact CB-CG1 4.13Å; P728-I730 HydrophobicContact CG-CD1 4.36Å; P728-I730 PolarHBondContact O-N 2.58Å; I730-S734 PolarHBondContact N-OG 3.13Å
731	T	86.7	Confident	90.3	Very high	79 Å²	79	55.6 Å²	55.6	49%	0.485	28%	0.278	S	S	.	.	S	Bend	trans	-139.5	162.2	-179.6	70.7	0	0	0	0	110.7	H733 S734	T731-H733 PolarHBondContact O-N 3.03Å; T731-H733 PolarHBondContact OG1-N 3.35Å; T731-S734 PolarHBondContact N-OG 2.03Å; T731-S734 VanDerWaalsContact N-OG 3.08Å; T731-S734 VanDerWaalsContact O-CB 3.3Å; T731-S734 WeakPolarHBondContact O-CB 3.04Å; T731-S734 PolarHBondContact O-N 3.31Å; T731-S734 PolarHBondContact O-OG 2.91Å; T731-S734 PolarHBondContact OG1-N 2.99Å; T731-S734 PolarHBondContact OG1-OG 3.15Å
732	E	83.3	Confident	90.3	Very high	193 Å²	193	51 Å²	51	90%	0.902	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17	173.8	-60.9	-175.3	149.6	0	0	114
733	H	82.7	Confident	90.2	Very high	173 Å²	173	52 Å²	52	80%	0.801	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	3.7	179.5	-63.3	75	0	0	0	112.8	T731	T731-H733 PolarHBondContact O-N 3.03Å; T731-H733 PolarHBondContact OG1-N 3.35Å
734	S	87.1	Confident	89.8	Confident	23 Å²	23	54.9 Å²	54.9	16%	0.161	30%	0.298	C	S	.	.	S	Bend	trans	-62.5	144.2	174.5	-73.6	0	0	0	0	110.8	I730 T731	I730-S734 PolarHBondContact N-OG 3.13Å; T731-S734 PolarHBondContact N-OG 2.03Å; T731-S734 VanDerWaalsContact N-OG 3.08Å; T731-S734 VanDerWaalsContact O-CB 3.3Å; T731-S734 WeakPolarHBondContact O-CB 3.04Å; T731-S734 PolarHBondContact O-N 3.31Å; T731-S734 PolarHBondContact O-OG 2.91Å; T731-S734 PolarHBondContact OG1-N 2.99Å; T731-S734 PolarHBondContact OG1-OG 3.15Å
735	P	87.2	Confident	89.8	Confident	81 Å²	81	58 Å²	58	53%	0.526	31%	0.313	S	S	.	.			trans	-61.7	145	170.4	28.4	-34.5	0	0	0	109.6	A727 Q729	A727-P735 HydrophobicContact CB-CG 4.27Å; A727-P735 WeakPolarHBondContact CB-O 3.49Å; Q729-P735 PolarHBondContact NE2-O 3.09Å
736	K	88.6	Confident	89.4	Confident	117 Å²	117	60.8 Å²	60.8	51%	0.509	33%	0.328	S	S	.	.	S	Bend	trans	-78.8	-30	179.8	-63.9	-172	176.7	-174.8	0	113.1	K726 A727	K726-K736 WeakPolarHBondContact CG-O 3.34Å; A727-K736 PolarHBondContact N-O 3.36Å; A727-K736 VanDerWaalsContact N-O 3.12Å
737	Y	91.6	Very high	89.3	Confident	73 Å²	73	63.1 Å²	63.1	29%	0.286	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	165.6	178.4	63.3	-92.2	0	0	0	110	S709 G718 C724 L725	S709-Y737 WeakPolarHBondContact O-CD1 3.36Å; S709-Y737 WeakPolarHBondContact O-CE1 3.49Å; G718-Y737 PolarHBondContact O-OH 2.63Å; G718-Y737 VanDerWaalsContact O-OH 3.09Å; C724-Y737 WeakPolarHBondContact SG-CD2 3.37Å; L725-Y737 CarbonylContact O-C 3.47Å; L725-Y737 VanDerWaalsContact O-CA 3.27Å; L725-Y737 WeakPolarHBondContact O-CA 3.39Å; L725-Y737 WeakPolarHBondContact O-CB 3.4Å
738	T	91.9	Very high	89	Confident	40 Å²	40	63.1 Å²	63.1	25%	0.245	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.5	171.3	45.6	0	0	0	0	109.7	N591 L725 A727	N591-T738 VanDerWaalsContact CB-OG1 3.25Å; N591-T738 WeakPolarHBondContact CB-OG1 3.35Å; N591-T738 PolarHBondContact ND2-OG1 3.08Å; L725-T738 PolarHBondContact N-O 3.45Å; L725-T738 PolarHBondContact O-N 2.66Å; A727-T738 HydrophobicContact CB-CG2 4.17Å
739	C	92.4	Very high	88.5	Confident	14 Å²	14	69.4 Å²	69.4	10%	0.095	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.5	173.3	-55.2	0	0	0	0	111	C720 L723 L747 M751	C720-C739 WeakPolarHBondContact CA-SG 3.46Å; C720-C739 HydrophobicContact CB-CB 3.56Å; C720-C739 WeakPolarHBondContact CB-SG 3.46Å; C720-C739 WeakPolarHBondContact SG-CA 3.46Å; C720-C739 WeakPolarHBondContact SG-CB 3.48Å; C720-C739 CovalentContact SG-SG 2.03Å; C720-C739 PolarHBondContact SG-SG 2.87Å; L723-C739 CarbonylContact O-C 3.53Å; L723-C739 WeakPolarHBondContact O-CA 3.22Å; C739-L747 HydrophobicContact CB-CD1 3.79Å; C739-M751 PolarHBondContact SG-O 3.39Å; C739-M751 VanDerWaalsContact SG-O 3.41Å
740	A	92.4	Very high	88.2	Confident	13 Å²	13	71 Å²	71	11%	0.107	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.3	179	0	0	0	0	0	110.6	Y722 L723 L725	Y722-A740 WeakPolarHBondContact CB-O 3.42Å; L723-A740 HydrophobicContact CB-CB 4.23Å; L723-A740 PolarHBondContact N-O 3.36Å; L723-A740 PolarHBondContact O-N 2.03Å; L725-A740 HydrophobicContact CD1-CB 3.66Å; L725-A740 HydrophobicContact CG-CB 4.14Å
741	C	93.1	Very high	88	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.014	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-97.7	173.1	-172.1	-69.2	0	0	0	0	112.9	R552 Q745 C754	R552-C741 WeakPolarHBondContact CD-O 3.42Å; R552-C741 VanDerWaalsContact CG-O 3.28Å; R552-C741 WeakPolarHBondContact CG-O 3.36Å; R552-C741 VanDerWaalsContact NH1-C 3.33Å; R552-C741 PolarHBondContact NH1-O 2.72Å; C741-Q745 HydrophobicContact CB-CB 3.99Å; C741-C754 WeakPolarHBondContact CA-SG 3.33Å; C741-C754 HydrophobicContact CB-CB 3.78Å; C741-C754 WeakPolarHBondContact CB-SG 3.35Å; C741-C754 WeakPolarHBondContact SG-CA 3.28Å; C741-C754 WeakPolarHBondContact SG-CB 3.44Å; C741-C754 CovalentContact SG-SG 2.04Å; C741-C754 PolarHBondContact SG-SG 2.92Å
742	P	92.4	Very high	88	Confident	27 Å²	27	73.5 Å²	73.5	18%	0.175	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-56.7	162.9	166.9	-22.3	32.8	0	0	0	112.6	R552 Y722 Q745	R552-P742 PolarHBondContact NH1-O 2.89Å; Y722-P742 HydrophobicContact CD1-CG 4.01Å; Y722-P742 HydrophobicContact CD2-CG 3.86Å; Y722-P742 HydrophobicContact CE1-CB 4.31Å; Y722-P742 HydrophobicContact CE1-CG 3.95Å; Y722-P742 HydrophobicContact CE2-CG 3.81Å; Y722-P742 HydrophobicContact CG-CG 3.95Å; P742-Q745 HydrophobicContact CB-CG 4.49Å; P742-Q745 PolarHBondContact O-N 3.38Å
743	D	89.1	Confident	88.2	Confident	73 Å²	73	65 Å²	65	39%	0.39	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	140.1	169.5	-62.1	-49.1	0	0	0	110.5	R552 I553 Q745	R552-D743 VanDerWaalsContact CG-OD1 3.3Å; R552-D743 WeakPolarHBondContact CG-OD1 3.35Å; I553-D743 PolarHBondContact N-OD1 3.33Å; I553-D743 PolarHBondContact N-OD2 2.39Å; D743-Q745 VanDerWaalsContact C-N 3.26Å; D743-Q745 PolarHBondContact O-N 3.36Å
744	G	85.6	Confident	88.7	Confident	64 Å²	64	57.7 Å²	57.7	66%	0.66	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	1.1	-170.9	0	0	0	0	0	115.4	A757	G744-A757 VanDerWaalsContact O-CB 3.26Å; G744-A757 WeakPolarHBondContact O-CB 3.48Å; G744-A757 PolarHBondContact O-N 2.97Å
745	Q	91.4	Very high	88.8	Confident	68 Å²	68	59.7 Å²	59.7	32%	0.318	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.5	172.3	-63.6	-173.8	6.3	0	0	111.8	R552 C741 P742 D743 C754 V755	R552-Q745 PolarHBondContact NH1-O 2.81Å; C741-Q745 HydrophobicContact CB-CB 3.99Å; P742-Q745 HydrophobicContact CB-CG 4.49Å; P742-Q745 PolarHBondContact O-N 3.38Å; D743-Q745 VanDerWaalsContact C-N 3.26Å; D743-Q745 PolarHBondContact O-N 3.36Å; Q745-C754 VanDerWaalsContact OE1-CB 3.31Å; Q745-V755 WeakPolarHBondContact CA-O 3.14Å; Q745-V755 WeakPolarHBondContact CB-O 3.25Å
746	D	87.3	Confident	88.8	Confident	59 Å²	59	61 Å²	61	32%	0.316	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	157.5	175.1	-78.2	-41.9	0	0	0	110.2	V755 A757	D746-V755 HydrophobicContact CB-CG2 4.44Å; D746-V755 PolarHBondContact N-O 2.03Å; D746-V755 WeakPolarHBondContact O-CG2 3.39Å; D746-V755 PolarHBondContact O-N 3Å; D746-A757 WeakPolarHBondContact OD2-CB 3.24Å
747	L	88.6	Confident	88.2	Confident	57 Å²	57	57.4 Å²	57.4	30%	0.298	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	134.7	178.3	-168.3	69.7	0	0	0	110.5	C739 M751	C739-L747 HydrophobicContact CB-CD1 3.79Å; L747-M751 HydrophobicContact CD2-CB 4.28Å; L747-M751 HydrophobicContact CD2-CE 3.79Å; L747-M751 HydrophobicContact CD2-SD 4.08Å
748	G	85.7	Confident	87	Confident	3 Å²	3	57.2 Å²	57.2	3%	0.031	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-66.5	166.1	-179.6	0	0	0	0	0	114	D750 M751 G753	G748-D750 PolarHBondContact O-N 2.91Å; G748-D750 VanDerWaalsContact O-N 3.11Å; G748-M751 WeakPolarHBondContact O-CA 3.11Å; G748-M751 PolarHBondContact O-N 2.76Å; G748-G753 PolarHBondContact N-O 2.84Å
749	P	83.1	Confident	85.3	Confident	139 Å²	139	61 Å²	61	90%	0.903	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-6.9	178.3	30.3	-36.6	0	0	0	113.9	M751	P749-M751 VanDerWaalsContact C-N 3.32Å
750	D	84	Confident	83.3	Confident	93 Å²	93	70.8 Å²	70.8	50%	0.497	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-5	169.6	71.1	-22.3	0	0	0	113.1	G748 R752 G753	G748-D750 PolarHBondContact O-N 2.91Å; G748-D750 VanDerWaalsContact O-N 3.11Å; D750-R752 PolarHBondContact O-N 3.44Å; D750-R752 PolarHBondContact OD1-N 3.36Å; D750-G753 PolarHBondContact OD1-N 3.36Å; D750-G753 PolarHBondContact OD2-N 2.79Å
751	M	84.1	Confident	80.7	Confident	126 Å²	126	77.1 Å²	77.1	62%	0.621	44%	0.443	S	S	*	.	S	Bend	trans	59.1	24.1	-174.1	-59.2	-67	-63.8	0	0	114.2	C739 L747 G748 P749	C739-M751 PolarHBondContact SG-O 3.39Å; C739-M751 VanDerWaalsContact SG-O 3.41Å; L747-M751 HydrophobicContact CD2-CB 4.28Å; L747-M751 HydrophobicContact CD2-CE 3.79Å; L747-M751 HydrophobicContact CD2-SD 4.08Å; G748-M751 WeakPolarHBondContact O-CA 3.11Å; G748-M751 PolarHBondContact O-N 2.76Å; P749-M751 VanDerWaalsContact C-N 3.32Å
752	R	86.1	Confident	78	Confident	105 Å²	105	82.9 Å²	82.9	40%	0.396	47%	0.474	S	S	.	.	S	Bend	trans	-142.3	-46.4	-171.6	-73	176.1	170.6	-133.5	-15.2	114.9	G718 G719 E721 D750	G718-R752 PolarHBondContact O-NH2 3.32Å; G718-R752 VanDerWaalsContact O-NH2 3.13Å; G719-R752 WeakPolarHBondContact O-CD 3.06Å; E721-R752 PolarHBondContact N-O 2.86Å; E721-R752 VanDerWaalsContact N-O 3.09Å; D750-R752 PolarHBondContact O-N 3.44Å; D750-R752 PolarHBondContact OD1-N 3.36Å
753	G	88.2	Confident	75.8	Confident	14 Å²	14	89 Å²	89	14%	0.144	50%	0.502	C	S	.	.	S	Bend	trans	-80.9	162.1	175.5	0	0	0	0	0	112	E721 G748 D750	E721-G753 WeakPolarHBondContact OE2-CA 3.01Å; G748-G753 PolarHBondContact N-O 2.84Å; D750-G753 PolarHBondContact OD1-N 3.36Å; D750-G753 PolarHBondContact OD2-N 2.79Å
754	C	92.1	Very high	73.5	Confident	21 Å²	21	91.3 Å²	91.3	14%	0.142	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.8	180	-63.9	0	0	0	0	111.2	E721 C741 Q745	E721-C754 PolarHBondContact OE2-N 3.39Å; C741-C754 WeakPolarHBondContact CA-SG 3.33Å; C741-C754 HydrophobicContact CB-CB 3.78Å; C741-C754 WeakPolarHBondContact CB-SG 3.35Å; C741-C754 WeakPolarHBondContact SG-CA 3.28Å; C741-C754 WeakPolarHBondContact SG-CB 3.44Å; C741-C754 CovalentContact SG-SG 2.04Å; C741-C754 PolarHBondContact SG-SG 2.92Å; Q745-C754 VanDerWaalsContact OE1-CB 3.31Å
755	V	90.9	Very high	71.4	Confident	64 Å²	64	92.7 Å²	92.7	39%	0.388	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146	177.3	-65.2	0	0	0	0	109.9	Q745 D746 A757	Q745-V755 WeakPolarHBondContact CA-O 3.14Å; Q745-V755 WeakPolarHBondContact CB-O 3.25Å; D746-V755 HydrophobicContact CB-CG2 4.44Å; D746-V755 PolarHBondContact N-O 2.03Å; D746-V755 WeakPolarHBondContact O-CG2 3.39Å; D746-V755 PolarHBondContact O-N 3Å; V755-A757 PolarHBondContact O-N 3.21Å
756	P	86.3	Confident	68.5	Low	108 Å²	108	100.5 Å²	100.5	70%	0.701	55%	0.55	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-52.3	129.8	169.3	-24.8	34.5	0	0	0	109.7	A758	P756-A758 PolarHBondContact O-N 2.9Å
757	A	75.1	Confident	66.1	Low	42 Å²	42	102.6 Å²	102.6	35%	0.347	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-57.4	126.1	-178.2	0	0	0	0	0	109.7	G744 D746 V755	G744-A757 VanDerWaalsContact O-CB 3.26Å; G744-A757 WeakPolarHBondContact O-CB 3.48Å; G744-A757 PolarHBondContact O-N 2.97Å; D746-A757 WeakPolarHBondContact OD2-CB 3.24Å; V755-A757 PolarHBondContact O-N 3.21Å
758	A	67.6	Low	63.6	Low	70 Å²	70	105.3 Å²	105.3	58%	0.579	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-63.4	136.2	179	0	0	0	0	0	109.1	P756 R760	P756-A758 PolarHBondContact O-N 2.9Å; A758-R760 PolarHBondContact O-N 2.03Å
759	P	54.8	Low	61	Low	120 Å²	120	111.1 Å²	111.1	78%	0.779	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-57.6	118.8	176.1	24.1	-33	0	0	0	108.6	D761	P759-D761 PolarHBondContact O-N 3.37Å
760	R	50.4	Low	58.4	Low	219 Å²	219	109.2 Å²	109.2	83%	0.826	62%	0.624	S	S	*	*			trans	-73.4	91.6	-179.7	-67.9	-174.7	-179.1	-174.7	1.7	108.9	A758 D762	A758-R760 PolarHBondContact O-N 2.03Å; R760-D762 PolarHBondContact O-N 2.95Å; R760-D762 VanDerWaalsContact O-N 3.09Å
761	D	38.2	Very low	55.9	Low	145 Å²	145	113 Å²	113	78%	0.775	64%	0.643	S	S	*	*			trans	-51.9	113.8	167.9	-90.9	-26.9	0	0	0	109.4	P759 M763	P759-D761 PolarHBondContact O-N 3.37Å; D761-M763 VanDerWaalsContact C-N 3.31Å; D761-M763 PolarHBondContact O-N 2.84Å
762	D	37.8	Very low	53.1	Low	123 Å²	123	115.4 Å²	115.4	66%	0.658	65%	0.653	S	S	*	*			trans	-71.9	87.4	176.6	-178.5	3.2	0	0	0	110.2	R760 T764	R760-D762 PolarHBondContact O-N 2.95Å; R760-D762 VanDerWaalsContact O-N 3.09Å; D762-T764 PolarHBondContact O-N 2.62Å; D762-T764 WeakPolarHBondContact OD1-CB 3.47Å; D762-T764 PolarHBondContact OD1-N 3.2Å; D762-T764 PolarHBondContact OD1-OG1 2.79Å
763	M	45.8	Very low	50.2	Low	156 Å²	156	120.1 Å²	120.1	77%	0.768	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	37.4	175.7	-69.5	-160.3	68.4	0	0	113.6	D761	D761-M763 VanDerWaalsContact C-N 3.31Å; D761-M763 PolarHBondContact O-N 2.84Å
764	T	40.3	Very low	47.2	Very low	122 Å²	122	125.3 Å²	125.3	75%	0.748	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	11	174.6	69.2	0	0	0	0	115.9	D762	D762-T764 PolarHBondContact O-N 2.62Å; D762-T764 WeakPolarHBondContact OD1-CB 3.47Å; D762-T764 PolarHBondContact OD1-N 3.2Å; D762-T764 PolarHBondContact OD1-OG1 2.79Å
765	A	41.2	Very low	44.7	Very low	93 Å²	93	129.8 Å²	129.8	77%	0.769	74%	0.735	S	S	*	*			trans	-134.1	50.9	175.9	0	0	0	0	0	115.5
766	R	31.8	Very low	41.5	Very low	231 Å²	231	133 Å²	133	87%	0.872	75%	0.75	S	S	*	*			trans	-112.1	88.1	171.6	-141.6	176.1	-160.6	171.8	8.4	112.8
767	S	36.2	Very low	38.7	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61.5	141.8	168.3	42	0	0	0	0	111.2
768	P	35.3	Very low	36.3	Very low	115 Å²	115	141.7 Å²	141.7	75%	0.747	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.5	146.4	172.1	28.4	-33.6	0	0	0	110.2
769	P	31.9	Very low	34.3	Very low	124 Å²	124	146 Å²	146	81%	0.805	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-68.3	142.7	-171.5	27.8	-35.4	0	0	0	112.2	L771	P769-L771 PolarHBondContact O-N 2.76Å
770	A	28	Very low	32.9	Very low	99 Å²	99	147.5 Å²	147.5	82%	0.818	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.3	129.8	172.2	0	0	0	0	0	110.7
771	L	30.9	Very low	31.7	Very low	172 Å²	172	144.8 Å²	144.8	90%	0.901	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-85.9	118	162.6	-89.3	164	0	0	0	108.6	P769	P769-L771 PolarHBondContact O-N 2.76Å
772	E	27.1	Very low	31.2	Very low	177 Å²	177	141.2 Å²	141.2	83%	0.827	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.6	134.9	177	-59.6	180	117.5	0	0	111.3
773	F	25	Very low	30.7	Very low	204 Å²	204	147.2 Å²	147.2	90%	0.895	80%	0.796	S	S	*	*			trans	-145	120.8	149.4	-102.7	-75.6	0	0	0	110.5
774	T	25.4	Very low	29.6	Very low	124 Å²	124	143 Å²	143	76%	0.761	79%	0.793	S	S	*	*			trans	-141.4	162	171.3	63.7	0	0	0	0	108.2
775	P	38.3	Very low	28.9	Very low	115 Å²	115	145.3 Å²	145.3	75%	0.747	80%	0.799	S	S	*	*			cis	-132	-163.2	-44.2	37	-21.5	0	0	0	111.3
776	D	23.6	Very low	28.1	Very low	131 Å²	131	145 Å²	145	70%	0.701	80%	0.797	S	S	*	*			trans	75.5	114.3	151.6	-156.8	10.1	0	0	0	119.2
777	V	27	Very low	28.7	Very low	145 Å²	145	139.5 Å²	139.5	88%	0.879	79%	0.791	S	S	*	*				-145.1	145.8	113.5	168.2	0	0	0	0	108.4
778	R	25.1	Very low	28.3	Very low	188 Å²	188	139.8 Å²	139.8	71%	0.709	79%	0.793	S	S	*	*			trans	-77.9	158.8	-175.1	-73.3	176.7	173.4	-175.7	-2.3	117.2
779	E	26.5	Very low	28.3	Very low	161 Å²	161	140 Å²	140	75%	0.752	80%	0.797	S	S	*	*			trans	51.5	126.5	139.1	-66.8	167.7	132.1	0	0	120.7
780	T	25.3	Very low	27.9	Very low	151 Å²	151	138.1 Å²	138.1	93%	0.926	80%	0.8	S	S	*	*				-154.2	139.7	114.3	6.7	0	0	0	0	111.1
781	D	25.9	Very low	27.9	Very low	162 Å²	162	137 Å²	137	87%	0.866	80%	0.798	S	S	*	*			trans	-100.8	167	-178.9	-157.5	-10.6	0	0	0	111.1
782	A	27.2	Very low	27.7	Very low	69 Å²	69	135.1 Å²	135.1	57%	0.57	79%	0.794	S	S	*	*			trans	110.6	105.1	148.8	0	0	0	0	0	121.8
783	R	26.2	Very low	27.8	Very low	249 Å²	249	131.6 Å²	131.6	94%	0.94	79%	0.788	S	S	*	*				78	136.7	127.4	-63.1	171	-179.4	178.4	-0.4	121.8
784	G	24.1	Very low	28	Very low	68 Å²	68	129.2 Å²	129.2	70%	0.701	78%	0.78	S	S	*	*			trans	142.5	83	166	0	0	0	0	0	111
785	I	25.3	Very low	28.3	Very low	170 Å²	170	127.3 Å²	127.3	87%	0.872	78%	0.777	S	S	*	*				60.9	117.3	78.2	-55.9	179.9	0	0	0	113
786	A	24.7	Very low	27.7	Very low	88 Å²	88	127.2 Å²	127.2	73%	0.727	77%	0.77	S	S	*	*			trans	-78.8	-175.7	178.1	0	0	0	0	0	111.8
787	P	43.6	Very low	27.9	Very low	115 Å²	115	127.7 Å²	127.7	75%	0.747	77%	0.773	S	S	*	*			cis	-145.5	-159.1	13.7	45.3	-24.4	0	0	0	116.4
788	S	27.2	Very low	28.1	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	76%	0.764	S	S	*	*			trans	88.6	144.6	161.5	79	0	0	0	0	118.7
789	S	35.4	Very low	29.1	Very low	119 Å²	119	123.3 Å²	123.3	83%	0.832	76%	0.763	S	S	*	*			cis	-175.9	141.1	-28.1	50.1	0	0	0	0	111.1
790	G	25	Very low	29.2	Very low	84 Å²	84	125.8 Å²	125.8	87%	0.866	77%	0.767	S	S	*	*			trans	155.6	108.1	155.7	0	0	0	0	0	119.5
791	G	26.1	Very low	29.5	Very low	76 Å²	76	125.5 Å²	125.5	78%	0.784	76%	0.759	S	S	*	*			trans	99.5	85.1	136.7	0	0	0	0	0	121.4
792	V	28.8	Very low	29.5	Very low	132 Å²	132	122.4 Å²	122.4	80%	0.8	75%	0.75	S	S	*	*			trans	4.1	134.7	130.2	-164.5	0	0	0	0	116.3
793	S	27.3	Very low	29.4	Very low	103 Å²	103	126 Å²	126	72%	0.72	77%	0.765	S	S	*	*			cis	-136	146.5	45.1	-57.4	0	0	0	0	113.1
794	Q	30.2	Very low	29.6	Very low	155 Å²	155	118.6 Å²	118.6	72%	0.724	76%	0.757	S	S	*	*				52.6	131.2	77.9	-96.2	-163.8	-47	0	0	114.4	D796	Q794-D796 PolarHBondContact NE2-OD2 2.87Å
795	A	30.6	Very low	30.4	Very low	83 Å²	83	120.8 Å²	120.8	69%	0.686	76%	0.758	S	S	*	*			cis	-158.1	176.3	14.9	0	0	0	0	0	111.5
796	D	26.3	Very low	30.4	Very low	113 Å²	113	118.1 Å²	118.1	60%	0.604	76%	0.755	S	S	*	*			cis	169.5	147.1	-28	-70.9	-27.9	0	0	0	103.2	Q794	Q794-D796 PolarHBondContact NE2-OD2 2.87Å
797	D	28.2	Very low	30.4	Very low	141 Å²	141	118.8 Å²	118.8	75%	0.754	76%	0.761	S	S	*	*			cis	-174	162.6	-22.4	-116.8	10.2	0	0	0	106.3
798	I	31.4	Very low	29.8	Very low	138 Å²	138	118.6 Å²	118.6	71%	0.708	76%	0.762	S	S	*	*			cis	-160.2	163.4	-11.5	-127.6	172	0	0	0	109.5
799	P	45.8	Very low	30.4	Very low	104 Å²	104	118.5 Å²	118.5	68%	0.675	76%	0.759	S	S	*	*			trans	-107.6	178.2	-171.1	2.4	20.8	0	0	0	119.2
800	Y	29.3	Very low	29.9	Very low	212 Å²	212	121.8 Å²	121.8	83%	0.831	76%	0.761	S	S	*	*			trans	68.6	134.6	149.7	-97	-109	0	0	0	124.4
801	L	31.5	Very low	30.1	Very low	145 Å²	145	127.3 Å²	127.3	76%	0.759	76%	0.762	S	S	*	*			trans	19.8	132	149.9	-94.4	65.5	0	0	0	122.9
802	S	25.3	Very low	30	Very low	98 Å²	98	131.7 Å²	131.7	69%	0.685	77%	0.766	S	S	*	*				163.7	132.3	106.3	-70.7	0	0	0	0	116.7
803	T	26.2	Very low	30.1	Very low	145 Å²	145	131 Å²	131	89%	0.89	76%	0.762	S	S	*	*			trans	60.7	155.7	147.5	52.2	0	0	0	0	123.6
804	A	29.1	Very low	31	Very low	92 Å²	92	131.2 Å²	131.2	76%	0.76	76%	0.761	S	S	*	*			trans	-81.5	-175.8	-173.8	0	0	0	0	0	113.4
805	P	42.1	Very low	30.7	Very low	114 Å²	114	130.8 Å²	130.8	74%	0.74	76%	0.763	S	S	*	*			cis	-149.3	-174	26	44.5	-23.1	0	0	0	119.7
806	S	24.6	Very low	30.6	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	76%	0.761	S	S	*	*			trans	102.4	149.4	142	79.4	0	0	0	0	122.3
807	A	23.7	Very low	30.5	Very low	103 Å²	103	131.4 Å²	131.4	85%	0.851	77%	0.767	S	S	*	*			trans	75.9	128	163.4	0	0	0	0	0	121.1
808	S	30.8	Very low	30.3	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	77%	0.769	S	S	*	*			trans	-95.2	175.7	162	59.1	0	0	0	0	110.5
809	P	40.2	Very low	30.1	Very low	107 Å²	107	134 Å²	134	70%	0.695	78%	0.775	S	S	*	*				-157.5	168.1	85.2	42.4	-22.7	0	0	0	119
810	E	25.5	Very low	29.6	Very low	187 Å²	187	133.9 Å²	133.9	87%	0.874	78%	0.775	S	S	*	*			trans	78.1	158	138.7	-83.4	172.3	-175.3	0	0	125.3
811	F	29.7	Very low	29.4	Very low	200 Å²	200	132 Å²	132	88%	0.877	78%	0.778	S	S	*	*			trans	-95.6	164	-172.2	-79.4	-117.7	0	0	0	112.3
812	L	24.5	Very low	28.9	Very low	168 Å²	168	129.9 Å²	129.9	88%	0.88	78%	0.775	S	S	*	*				-177.2	155.1	116.5	-97.8	164.4	0	0	0	113.7
813	T	29	Very low	29	Very low	118 Å²	118	130.9 Å²	130.9	72%	0.724	78%	0.782	S	S	*	*			trans	-109	-166.7	168.4	60.6	0	0	0	0	108.1
814	P	48	Very low	29	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	78%	0.779	S	S	*	*			cis	-141.5	-149.6	0.2	30	-1.7	0	0	0	114.2
815	L	24.1	Very low	28.8	Very low	147 Å²	147	134.5 Å²	134.5	77%	0.77	78%	0.783	S	S	*	*			trans	94.3	106.6	162.4	-93.3	72.5	0	0	0	120.9
816	S	26.5	Very low	28	Very low	92 Å²	92	134.5 Å²	134.5	64%	0.643	79%	0.785	S	S	*	*				20.2	155.7	123.2	69.5	0	0	0	0	121.2
817	T	25.3	Very low	27.9	Very low	116 Å²	116	137.5 Å²	137.5	71%	0.712	79%	0.787	S	S	*	*			cis	-174.1	168.9	47.8	-28.1	0	0	0	0	112.7
818	L	24.7	Very low	28	Very low	156 Å²	156	137.6 Å²	137.6	82%	0.817	78%	0.781	S	S	*	*			trans	86.7	106.7	153.6	-68.9	168.9	0	0	0	121.6
819	Q	27	Very low	27.6	Very low	177 Å²	177	140.3 Å²	140.3	83%	0.827	79%	0.786	S	S	*	*				-19.7	168.2	126.7	-78.8	-179.2	-29.8	0	0	117.7
820	P	35.2	Very low	26.8	Very low	103 Å²	103	138.7 Å²	138.7	67%	0.669	79%	0.789	S	S	*	*			cis	-144.6	167.2	25.6	40.5	-21.1	0	0	0	118.3
821	L	23.7	Very low	26.9	Very low	173 Å²	173	134.6 Å²	134.6	91%	0.906	78%	0.781	S	S	*	*				176.8	157.3	107.9	-101.8	145.2	0	0	0	112.9
822	S	22.9	Very low	26.8	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	78%	0.777	S	S	*	*			trans	-108.4	146.1	-173.2	174	0	0	0	0	112.5
823	S	25.6	Very low	27.1	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	77%	0.766	S	S	*	*			trans	-146	117.7	140.4	53.4	0	0	0	0	110.1
824	Q	26.6	Very low	27.1	Very low	174 Å²	174	130.1 Å²	130.1	81%	0.813	77%	0.768	S	S	*	*			trans	-93.1	-158.6	164.9	-75.5	-167.9	-35.9	0	0	110
825	V	25.1	Very low	26.3	Very low	140 Å²	140	129.1 Å²	129.1	85%	0.848	77%	0.769	S	S	*	*			trans	67.5	135.6	-174.8	-122.5	0	0	0	0	112
826	S	24.6	Very low	26.7	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	77%	0.773	S	S	*	*			cis	-144.2	166.5	20.5	-53.9	0	0	0	0	114.3
827	E	23.8	Very low	27.1	Very low	178 Å²	178	128.2 Å²	128.2	83%	0.832	77%	0.774	S	S	*	*			trans	-90.8	147.3	176.9	-58	168	98.7	0	0	113.5
828	S	25.7	Very low	27.3	Very low	105 Å²	105	131 Å²	131	73%	0.734	78%	0.781	S	S	*	*			trans	76	155.1	137.3	81	0	0	0	0	122.7
829	L	22.7	Very low	27.5	Very low	167 Å²	167	129.1 Å²	129.1	87%	0.874	78%	0.776	S	S	*	*			trans	48.2	110.2	158.9	-86.5	71.3	0	0	0	119.4
830	G	22.6	Very low	27.5	Very low	73 Å²	73	127.8 Å²	127.8	75%	0.753	77%	0.773	S	S	*	*			trans	-91.5	-166	164	0	0	0	0	0	113.5
831	S	26.8	Very low	27.2	Very low	101 Å²	101	127 Å²	127	71%	0.706	77%	0.77	S	S	*	*			trans	158.8	156.9	146.1	55.4	0	0	0	0	113.6
832	H	29.5	Very low	27.3	Very low	175 Å²	175	124.3 Å²	124.3	81%	0.81	76%	0.761	S	S	*	*			trans	63.6	151.9	158.5	-68.1	-56.5	0	0	0	118.5
833	S	30	Very low	27.5	Very low	90 Å²	90	125.7 Å²	125.7	63%	0.629	77%	0.766	S	S	*	*			cis	-163.3	175	-6.9	-107.8	0	0	0	0	107.8
834	T	29.3	Very low	27.6	Very low	127 Å²	127	124.8 Å²	124.8	78%	0.779	76%	0.759	S	S	*	*			cis	-163.7	153.7	22.5	-15.3	0	0	0	0	111.4
835	A	31.7	Very low	27.6	Very low	86 Å²	86	121.6 Å²	121.6	71%	0.711	76%	0.763	S	S	*	*			trans	59.4	137.6	149.5	0	0	0	0	0	119.3
836	T	32.4	Very low	27.7	Very low	138 Å²	138	119 Å²	119	85%	0.847	76%	0.763	S	S	*	*			cis	-168.6	176.9	2.3	8.9	0	0	0	0	106.2
837	A	33.4	Very low	27.7	Very low	82 Å²	82	121.1 Å²	121.1	68%	0.678	77%	0.766	S	S	*	*			cis	-173	176.6	0	0	0	0	0	0	105.3
838	M	31.1	Very low	27.7	Very low	175 Å²	175	117.5 Å²	117.5	86%	0.862	76%	0.76	S	S	*	*			cis	-173.9	161.8	-13.4	-100.8	166.9	165	0	0	105.4
839	V	28.2	Very low	27.8	Very low	116 Å²	116	117.7 Å²	117.7	70%	0.703	76%	0.762	S	S	*	*			cis	-175.7	162.7	-25.5	71.5	0	0	0	0	107.9
840	I	27.8	Very low	27.9	Very low	149 Å²	149	115.8 Å²	115.8	76%	0.764	76%	0.757	S	S	*	*			trans	72.4	141.8	168.4	-70.8	168.4	0	0	0	116.8
841	S	27	Very low	28	Very low	86 Å²	86	116.6 Å²	116.6	60%	0.601	75%	0.751	S	S	*	*			cis	-172.4	154.1	-22.6	-88.6	0	0	0	0	113.5
842	T	27.2	Very low	28	Very low	117 Å²	117	120 Å²	120	72%	0.718	76%	0.756	S	S	*	*			trans	61.1	126	139.4	56.6	0	0	0	0	125.2
843	T	26.8	Very low	27.9	Very low	129 Å²	129	120 Å²	120	79%	0.791	76%	0.756	S	S	*	*			trans	64.4	156.4	132.4	58.5	0	0	0	0	121.4
844	S	27.5	Very low	27.9	Very low	100 Å²	100	121 Å²	121	70%	0.699	76%	0.763	S	S	*	*			cis	-178.1	153	-16.9	52.9	0	0	0	0	111.3
845	A	27.5	Very low	27.8	Very low	107 Å²	107	118.8 Å²	118.8	88%	0.884	77%	0.765	S	S	*	*			trans	56.4	153.6	147.7	0	0	0	0	0	121.4
846	G	25.6	Very low	27.8	Very low	84 Å²	84	118.5 Å²	118.5	87%	0.866	77%	0.77	S	S	*	*			trans	163.6	93.8	171.3	0	0	0	0	0	113
847	D	24.3	Very low	27.6	Very low	159 Å²	159	121.2 Å²	121.2	85%	0.85	77%	0.773	S	S	*	*			trans	-108	180	-176.2	-152	-23.1	0	0	0	111.5
848	S	25.7	Very low	27.4	Very low	101 Å²	101	124.5 Å²	124.5	71%	0.706	78%	0.78	S	S	*	*			trans	76.3	112.8	163.7	64.8	0	0	0	0	120.6
849	S	26.5	Very low	27.1	Very low	109 Å²	109	125.6 Å²	125.6	76%	0.762	78%	0.78	S	S	*	*			trans	-27.1	164	142.3	49.9	0	0	0	0	119.3
850	V	25.4	Very low	27.1	Very low	127 Å²	127	124.8 Å²	124.8	77%	0.77	78%	0.775	S	S	*	*				168.6	153.6	122.5	153.9	0	0	0	0	113.4
851	S	25	Very low	27.2	Very low	91 Å²	91	125.2 Å²	125.2	64%	0.636	78%	0.778	S	S	*	*			trans	62.8	111.2	160.2	62.5	0	0	0	0	122.6
852	Q	26.7	Very low	27.1	Very low	171 Å²	171	124.8 Å²	124.8	80%	0.799	79%	0.787	S	S	*	*				27.1	129.3	110.1	-59.7	170.8	-32.3	0	0	119.2
853	H	27.7	Very low	27.5	Very low	177 Å²	177	126.8 Å²	126.8	82%	0.819	79%	0.788	S	S	*	*				-167.5	166.3	92.2	-122.9	-86.2	0	0	0	113.8
854	S	30.1	Very low	27.7	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	78%	0.784	S	S	*	*			trans	-108.3	157	177.6	55	0	0	0	0	113.4
855	G	26.2	Very low	27.7	Very low	80 Å²	80	130.1 Å²	130.1	83%	0.825	79%	0.793	S	S	*	*			trans	132.9	127.8	175.8	0	0	0	0	0	111.8
856	G	31.5	Very low	27.7	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	79%	0.785	S	S	*	*			cis	101.5	96.1	-3.5	0	0	0	0	0	113.6
857	E	28.1	Very low	27.8	Very low	195 Å²	195	133.1 Å²	133.1	91%	0.911	78%	0.783	S	S	*	*			trans	-151.7	154	174.3	-132.4	169.3	-147.6	0	0	112
858	N	30.3	Very low	28	Very low	151 Å²	151	129.7 Å²	129.7	81%	0.807	78%	0.777	S	S	*	*			trans	-128.4	150.5	-177.6	-65.1	-78.3	0	0	0	109.9
859	F	24.3	Very low	28.2	Very low	199 Å²	199	130.9 Å²	130.9	87%	0.873	78%	0.78	S	S	*	*			trans	161.1	162.8	142.9	-101.7	-137.5	0	0	0	113
860	V	27.7	Very low	28.3	Very low	99 Å²	99	134 Å²	134	60%	0.6	79%	0.786	S	S	*	*			cis	-173.1	155.4	-40.7	99.2	0	0	0	0	111.8
861	L	29.3	Very low	28.4	Very low	158 Å²	158	131.4 Å²	131.4	83%	0.827	79%	0.786	S	S	*	*			trans	52.8	146.7	159.5	-70.8	169	0	0	0	123.7
862	G	26.3	Very low	28.9	Very low	77 Å²	77	133.3 Å²	133.3	79%	0.794	79%	0.793	S	S	*	*			trans	171.6	122.7	160.2	0	0	0	0	0	111.9
863	E	35.5	Very low	29.2	Very low	158 Å²	158	132 Å²	132	74%	0.738	80%	0.797	S	S	*	*			trans	-114.8	166.4	-168.9	-56.2	-170.3	141.2	0	0	116.1
864	N	30.5	Very low	29.7	Very low	131 Å²	131	130 Å²	130	70%	0.701	79%	0.79	S	S	*	*			trans	68.1	115.3	149.1	-64.4	-45.9	0	0	0	121.4
865	L	27.3	Very low	30.4	Very low	168 Å²	168	129.5 Å²	129.5	88%	0.88	79%	0.785	S	S	*	*				-171.7	175.5	110.9	-132.2	71.2	0	0	0	113.9
866	T	27	Very low	31.4	Very low	119 Å²	119	132.3 Å²	132.3	73%	0.73	78%	0.779	S	S	*	*			trans	-141.5	171.8	172.5	54	0	0	0	0	109.1
867	V	29	Very low	32.1	Very low	136 Å²	136	133.8 Å²	133.8	82%	0.824	77%	0.772	S	S	*	*			cis	-132.1	-150.6	13.4	-135.7	0	0	0	0	108.8
868	A	27.4	Very low	32.9	Very low	86 Å²	86	128.9 Å²	128.9	71%	0.711	76%	0.757	S	S	*	*			cis	-155.5	140.9	13.2	0	0	0	0	0	113.7
869	V	30.4	Very low	33.9	Very low	127 Å²	127	127.5 Å²	127.5	77%	0.77	75%	0.749	S	S	*	*			trans	26.9	140.1	144.9	-157.9	0	0	0	0	122.6
870	L	28.4	Very low	35.1	Very low	173 Å²	173	122.1 Å²	122.1	91%	0.906	73%	0.732	S	S	*	*			trans	106.6	129.5	163.7	-60.9	175.8	0	0	0	114.2
871	G	28.8	Very low	36.2	Very low	73 Å²	73	120.5 Å²	120.5	75%	0.753	73%	0.729	S	S	*	*			cis	-165.1	162.9	-4.2	0	0	0	0	0	111.6
872	V	33.6	Very low	37.6	Very low	132 Å²	132	117.6 Å²	117.6	80%	0.8	72%	0.718	S	S	*	*			trans	-97.5	129	-168.1	177.1	0	0	0	0	113.4	I874	V872-I874 HydrophobicContact CG1-CD1 4.49Å; V872-I874 HydrophobicContact CG1-CG1 4.31Å
873	V	33.8	Very low	39.2	Very low	143 Å²	143	118 Å²	118	87%	0.867	71%	0.705	S	S	*	*			trans	-140.1	125.7	152.5	-177.2	0	0	0	0	108.4
874	I	39.3	Very low	40.5	Very low	134 Å²	134	114.5 Å²	114.5	69%	0.687	69%	0.694	S	S	*	*			trans	-132.4	132.8	174.9	-62	176.1	0	0	0	108.1	V872	V872-I874 HydrophobicContact CG1-CD1 4.49Å; V872-I874 HydrophobicContact CG1-CG1 4.31Å
875	P	43.5	Very low	41.8	Very low	101 Å²	101	115.7 Å²	115.7	66%	0.656	69%	0.693	S	S	*	*			trans	-79.3	141.1	178.6	31.9	-34.4	0	0	0	112.6	V877	P875-V877 VanDerWaalsContact C-N 3.27Å; P875-V877 HydrophobicContact CB-CG2 4.46Å; P875-V877 PolarHBondContact O-N 3.47Å
876	I	48.3	Very low	43.4	Very low	138 Å²	138	109.8 Å²	109.8	71%	0.708	67%	0.673	S	S	*	*			trans	-85.3	11.4	-166.5	-67.4	163.4	0	0	0	113.4
877	V	44.5	Very low	45.1	Very low	111 Å²	111	109.9 Å²	109.9	67%	0.673	67%	0.668	S	S	*	*	H	α-helix	trans	-64.6	-49.3	-165.8	-175.4	0	0	0	0	115.9	P875 I879 V880	P875-V877 VanDerWaalsContact C-N 3.27Å; P875-V877 HydrophobicContact CB-CG2 4.46Å; P875-V877 PolarHBondContact O-N 3.47Å; V877-I879 VanDerWaalsContact C-N 3.33Å; V877-I879 PolarHBondContact O-N 3.22Å; V877-V880 PolarHBondContact O-N 2.95Å
878	P	46.2	Very low	46.8	Very low	92 Å²	92	107.7 Å²	107.7	60%	0.597	66%	0.655	S	S	*	*	H	α-helix	trans	-72.6	-21.3	-166.9	27.5	-34.8	0	0	0	114.6
879	I	51.9	Low	48.1	Very low	122 Å²	122	106.9 Å²	106.9	63%	0.626	64%	0.643	S	S	*	*	H	α-helix	trans	-77	-26.8	-176.7	-60	175.5	0	0	0	111.6	V877 T882 V883	V877-I879 VanDerWaalsContact C-N 3.33Å; V877-I879 PolarHBondContact O-N 3.22Å; I879-T882 PolarHBondContact O-OG1 2.78Å; I879-V883 WeakPolarHBondContact O-CG2 3.4Å
880	V	49.5	Very low	49.6	Very low	87 Å²	87	103.1 Å²	103.1	53%	0.527	63%	0.626	S	S	.	*	H	α-helix	trans	-72.8	-37.3	179.8	-176.7	0	0	0	0	111.1	V877 V883 V884	V877-V880 PolarHBondContact O-N 2.95Å; V880-V883 PolarHBondContact O-N 3.26Å; V880-V884 HydrophobicContact CG1-CG2 4.35Å; V880-V884 WeakPolarHBondContact O-CG2 3.02Å; V880-V884 PolarHBondContact O-N 3.1Å; V880-V884 VanDerWaalsContact O-N 3.1Å
881	A	49	Very low	51.2	Low	64 Å²	64	96.8 Å²	96.8	53%	0.529	60%	0.602	S	S	.	*	H	α-helix	trans	-62.9	-45.4	-177.4	0	0	0	0	0	112.7	V884 F885	A881-V884 PolarHBondContact O-N 3.07Å; A881-F885 PolarHBondContact O-N 2.79Å
882	T	59.2	Low	53	Low	98 Å²	98	98 Å²	98	60%	0.601	59%	0.594	S	S	*	*	H	α-helix	trans	-66.7	-38.6	-179	52.9	0	0	0	0	112.5	I879 F885 G886	I879-T882 PolarHBondContact O-OG1 2.78Å; T882-F885 PolarHBondContact O-N 2.99Å; T882-G886 PolarHBondContact O-N 2.03Å; T882-G886 VanDerWaalsContact O-N 3.08Å
883	V	61	Low	54.3	Low	85 Å²	85	97.8 Å²	97.8	52%	0.515	58%	0.58	S	S	.	*	H	α-helix	trans	-66.4	-41.7	176.3	175.8	0	0	0	0	111.5	I879 V880 L887	I879-V883 WeakPolarHBondContact O-CG2 3.4Å; V880-V883 PolarHBondContact O-N 3.26Å; V883-L887 HydrophobicContact CG1-CD1 4.17Å; V883-L887 WeakPolarHBondContact O-CG 3.33Å; V883-L887 PolarHBondContact O-N 2.9Å
884	V	62.4	Low	55.5	Low	84 Å²	84	96.2 Å²	96.2	51%	0.509	57%	0.566	S	S	.	*	H	α-helix	trans	-63.8	-44.5	176.3	170.8	0	0	0	0	111	V880 A881 G886 L887 V888	V880-V884 HydrophobicContact CG1-CG2 4.35Å; V880-V884 WeakPolarHBondContact O-CG2 3.02Å; V880-V884 PolarHBondContact O-N 3.1Å; V880-V884 VanDerWaalsContact O-N 3.1Å; A881-V884 PolarHBondContact O-N 3.07Å; V884-G886 PolarHBondContact O-N 2.9Å; V884-L887 PolarHBondContact O-N 3.47Å; V884-V888 WeakPolarHBondContact O-CG2 3.49Å; V884-V888 PolarHBondContact O-N 3.01Å; V884-V888 VanDerWaalsContact O-N 3.15Å
885	F	56.8	Low	56.3	Low	156 Å²	156	92.9 Å²	92.9	68%	0.684	56%	0.558	S	S	*	*	H	α-helix	trans	-63.3	-44	-179.5	-145.1	-90	0	0	0	112.1	A881 T882 L887 V888 C889	A881-F885 PolarHBondContact O-N 2.79Å; T882-F885 PolarHBondContact O-N 2.99Å; F885-L887 VanDerWaalsContact C-N 3.33Å; F885-L887 PolarHBondContact O-N 3.01Å; F885-V888 PolarHBondContact O-N 2.82Å; F885-C889 PolarHBondContact O-N 2.89Å; F885-C889 VanDerWaalsContact O-N 3.1Å
886	G	60.8	Low	56.7	Low	44 Å²	44	94.2 Å²	94.2	45%	0.454	55%	0.551	S	S	.	*	H	α-helix	trans	-60.6	-38.2	176.3	0	0	0	0	0	113.7	T882 V884 A890	T882-G886 PolarHBondContact O-N 2.03Å; T882-G886 VanDerWaalsContact O-N 3.08Å; V884-G886 PolarHBondContact O-N 2.9Å; G886-A890 WeakPolarHBondContact O-CB 3.3Å; G886-A890 PolarHBondContact O-N 2.82Å
887	L	62.4	Low	57	Low	121 Å²	121	94.4 Å²	94.4	63%	0.634	54%	0.543	S	S	*	.	H	α-helix	trans	-68.8	-35.8	176.8	-72.1	170	0	0	0	112.7	V883 V884 F885 G891	V883-L887 HydrophobicContact CG1-CD1 4.17Å; V883-L887 WeakPolarHBondContact O-CG 3.33Å; V883-L887 PolarHBondContact O-N 2.9Å; V884-L887 PolarHBondContact O-N 3.47Å; F885-L887 VanDerWaalsContact C-N 3.33Å; F885-L887 PolarHBondContact O-N 3.01Å; L887-G891 PolarHBondContact O-N 2.85Å
888	V	65.3	Low	57.1	Low	90 Å²	90	94.7 Å²	94.7	55%	0.545	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-48	175.2	173.3	0	0	0	0	110.8	V884 F885 A890 G891 V892	V884-V888 WeakPolarHBondContact O-CG2 3.49Å; V884-V888 PolarHBondContact O-N 3.01Å; V884-V888 VanDerWaalsContact O-N 3.15Å; F885-V888 PolarHBondContact O-N 2.82Å; V888-A890 VanDerWaalsContact C-N 3.34Å; V888-A890 PolarHBondContact O-N 2.88Å; V888-G891 PolarHBondContact O-N 3.49Å; V888-G891 VanDerWaalsContact O-N 3.13Å; V888-V892 PolarHBondContact O-N 2.75Å
889	C	55.4	Low	57	Low	70 Å²	70	98.9 Å²	98.9	47%	0.473	54%	0.544	S	S	.	.	H	α-helix	trans	-59.7	-42.3	177.2	-67.5	0	0	0	0	112.4	F885 G891 V892 Y893	F885-C889 PolarHBondContact O-N 2.89Å; F885-C889 VanDerWaalsContact O-N 3.1Å; C889-G891 VanDerWaalsContact C-N 3.34Å; C889-G891 PolarHBondContact O-N 2.85Å; C889-V892 PolarHBondContact O-N 3.48Å; C889-Y893 WeakPolarHBondContact O-CB 3Å; C889-Y893 PolarHBondContact O-N 2.98Å
890	A	62.5	Low	56.4	Low	48 Å²	48	100.9 Å²	100.9	40%	0.397	54%	0.544	S	S	.	.	H	α-helix	trans	-61.9	-39.5	174.8	0	0	0	0	0	112.5	G886 V888 L894	G886-A890 WeakPolarHBondContact O-CB 3.3Å; G886-A890 PolarHBondContact O-N 2.82Å; V888-A890 VanDerWaalsContact C-N 3.34Å; V888-A890 PolarHBondContact O-N 2.88Å; A890-L894 WeakPolarHBondContact O-CB 3.06Å; A890-L894 VanDerWaalsContact O-CG 3.3Å; A890-L894 WeakPolarHBondContact O-CG 3.48Å; A890-L894 PolarHBondContact O-N 2.03Å
891	G	61.2	Low	56.2	Low	39 Å²	39	105.7 Å²	105.7	40%	0.402	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-46.5	175.5	0	0	0	0	0	113.2	L887 V888 C889 L894 A895	L887-G891 PolarHBondContact O-N 2.85Å; V888-G891 PolarHBondContact O-N 3.49Å; V888-G891 VanDerWaalsContact O-N 3.13Å; C889-G891 VanDerWaalsContact C-N 3.34Å; C889-G891 PolarHBondContact O-N 2.85Å; G891-L894 PolarHBondContact O-N 2.77Å; G891-A895 WeakPolarHBondContact O-CB 3.27Å; G891-A895 PolarHBondContact O-N 3.08Å
892	V	66.4	Low	55.8	Low	99 Å²	99	109.6 Å²	109.6	60%	0.6	57%	0.565	S	S	*	*	H	α-helix	trans	-64	-44.8	177.9	175.7	0	0	0	0	111.2	V888 C889 L894 A895 W896	V888-V892 PolarHBondContact O-N 2.75Å; C889-V892 PolarHBondContact O-N 3.48Å; V892-L894 PolarHBondContact O-N 3Å; V892-A895 PolarHBondContact O-N 2.78Å; V892-W896 PolarHBondContact O-N 3.18Å
893	Y	60.6	Low	55	Low	128 Å²	128	109.2 Å²	109.2	50%	0.502	57%	0.566	S	S	.	*	H	α-helix	trans	-60.9	-42	177.1	179.8	-98.8	0	0	0	112.4	C889 R897	C889-Y893 WeakPolarHBondContact O-CB 3Å; C889-Y893 PolarHBondContact O-N 2.98Å; Y893-R897 VanDerWaalsContact O-CB 3.26Å; Y893-R897 WeakPolarHBondContact O-CB 3.13Å; Y893-R897 PolarHBondContact O-N 2.89Å
894	L	58.8	Low	53.9	Low	110 Å²	110	110.4 Å²	110.4	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-67.2	-38.2	176	-73.6	170.8	0	0	0	112.5	A890 G891 V892 R897 N898	A890-L894 WeakPolarHBondContact O-CB 3.06Å; A890-L894 VanDerWaalsContact O-CG 3.3Å; A890-L894 WeakPolarHBondContact O-CG 3.48Å; A890-L894 PolarHBondContact O-N 2.03Å; G891-L894 PolarHBondContact O-N 2.77Å; V892-L894 PolarHBondContact O-N 3Å; L894-R897 PolarHBondContact O-N 2.81Å; L894-N898 WeakPolarHBondContact O-CB 3.48Å; L894-N898 PolarHBondContact O-N 2.75Å
895	A	57.3	Low	52.6	Low	63 Å²	63	115.8 Å²	115.8	52%	0.521	59%	0.59	S	S	.	*	H	α-helix	trans	-62.8	-48.1	175.3	0	0	0	0	0	111.8	G891 V892 R897 N898 W899	G891-A895 WeakPolarHBondContact O-CB 3.27Å; G891-A895 PolarHBondContact O-N 3.08Å; V892-A895 PolarHBondContact O-N 2.78Å; A895-R897 PolarHBondContact O-N 2.71Å; A895-N898 PolarHBondContact O-N 3.07Å; A895-W899 PolarHBondContact O-N 2.66Å
896	W	51.9	Low	51.4	Low	130 Å²	130	113.4 Å²	113.4	49%	0.492	59%	0.592	S	S	.	*	H	α-helix	trans	-61.1	-43.9	175.8	-176.9	83.7	0	0	0	112	V892 N898 W899 R900	V892-W896 PolarHBondContact O-N 3.18Å; W896-N898 VanDerWaalsContact C-N 3.31Å; W896-N898 PolarHBondContact O-N 3.36Å; W896-W899 PolarHBondContact O-N 2.96Å; W896-R900 VanDerWaalsContact CH2-NH1 3.34Å; W896-R900 WeakPolarHBondContact O-CB 3.28Å; W896-R900 PolarHBondContact O-N 3.14Å
897	R	52.9	Low	49.8	Very low	142 Å²	142	120 Å²	120	54%	0.536	61%	0.613	S	S	.	*	H	α-helix	trans	-63.5	-33.5	176.8	-171.4	173	-177.4	171.1	2	112.6	Y893 L894 A895 R901	Y893-R897 VanDerWaalsContact O-CB 3.26Å; Y893-R897 WeakPolarHBondContact O-CB 3.13Å; Y893-R897 PolarHBondContact O-N 2.89Å; L894-R897 PolarHBondContact O-N 2.81Å; A895-R897 PolarHBondContact O-N 2.71Å; R897-R901 WeakPolarHBondContact O-CB 3.03Å; R897-R901 PolarHBondContact O-N 2.78Å
898	N	48.5	Very low	48.2	Very low	116 Å²	116	121.2 Å²	121.2	62%	0.62	62%	0.621	S	S	*	*	H	α-helix	trans	-74.4	-40.7	175.5	-121.3	9.7	0	0	0	112	L894 A895 W896 R901 N902	L894-N898 WeakPolarHBondContact O-CB 3.48Å; L894-N898 PolarHBondContact O-N 2.75Å; A895-N898 PolarHBondContact O-N 3.07Å; W896-N898 VanDerWaalsContact C-N 3.31Å; W896-N898 PolarHBondContact O-N 3.36Å; N898-R901 PolarHBondContact O-N 2.83Å; N898-R901 VanDerWaalsContact O-N 3.16Å; N898-N902 PolarHBondContact O-N 2.63Å
899	W	43.1	Very low	46.3	Very low	181 Å²	181	127 Å²	127	69%	0.686	64%	0.639	S	S	*	*	H	α-helix	trans	-58.1	-49.9	174.1	-176.6	80.4	0	0	0	111.1	A895 W896 R901 N902	A895-W899 PolarHBondContact O-N 2.66Å; W896-W899 PolarHBondContact O-N 2.96Å; W899-R901 PolarHBondContact O-N 3.06Å; W899-R901 VanDerWaalsContact O-N 3.11Å; W899-N902 PolarHBondContact O-N 2.7Å; W899-N902 VanDerWaalsContact O-N 3.13Å
900	R	39.8	Very low	45.1	Very low	163 Å²	163	131 Å²	131	62%	0.615	66%	0.655	S	S	*	*	H	α-helix	trans	-62.3	-19.9	177.7	-153.5	175.9	-167.1	-166.9	3.9	113.8	W896	W896-R900 VanDerWaalsContact CH2-NH1 3.34Å; W896-R900 WeakPolarHBondContact O-CB 3.28Å; W896-R900 PolarHBondContact O-N 3.14Å
901	R	45.6	Very low	43.5	Very low	189 Å²	189	135.8 Å²	135.8	71%	0.713	68%	0.675	S	S	*	*	H	α-helix	trans	-91.4	-11.6	179.5	-152.8	177.1	-161.7	-178.7	5.4	114.1	R897 N898 W899	R897-R901 WeakPolarHBondContact O-CB 3.03Å; R897-R901 PolarHBondContact O-N 2.78Å; N898-R901 PolarHBondContact O-N 2.83Å; N898-R901 VanDerWaalsContact O-N 3.16Å; W899-R901 PolarHBondContact O-N 3.06Å; W899-R901 VanDerWaalsContact O-N 3.11Å
902	N	40.2	Very low	42.4	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	69%	0.689	S	S	*	*	H	α-helix	trans	-95.9	-21.2	179.8	-126.4	21.6	0	0	0	112.9	N898 W899 T904	N898-N902 PolarHBondContact O-N 2.63Å; W899-N902 PolarHBondContact O-N 2.7Å; W899-N902 VanDerWaalsContact O-N 3.13Å; N902-T904 VanDerWaalsContact C-N 3.35Å; N902-T904 PolarHBondContact O-N 3.03Å
903	S	41.3	Very low	40.5	Very low	89 Å²	89	140.1 Å²	140.1	62%	0.622	70%	0.695	S	S	*	*	S	Bend	trans	-84.7	2.1	-178.4	-52.9	0	0	0	0	115
904	T	38.9	Very low	38.8	Very low	111 Å²	111	144.4 Å²	144.4	68%	0.681	71%	0.712	S	S	*	*	S	Bend	trans	-113.5	32.1	-175	48.9	0	0	0	0	113.7	N902	N902-T904 VanDerWaalsContact C-N 3.35Å; N902-T904 PolarHBondContact O-N 3.03Å
905	K	35.3	Very low	37.1	Very low	197 Å²	197	149.6 Å²	149.6	86%	0.857	72%	0.724	S	S	*	*			trans	-136.2	72.8	173.7	-84.4	-166.6	170.3	-173.1	0	113.5
906	S	30.9	Very low	35.5	Very low	105 Å²	105	155 Å²	155	73%	0.734	74%	0.735	S	S	*	*	S	Bend	trans	172.8	105.8	141.8	175.5	0	0	0	0	110.8
907	M	27.5	Very low	34.2	Very low	182 Å²	182	154.3 Å²	154.3	90%	0.897	75%	0.746	S	S	*	*			trans	155.8	93	140.1	-86	167.8	179.9	0	0	111.3
908	N	28.1	Very low	32.9	Very low	147 Å²	147	154.1 Å²	154.1	79%	0.786	76%	0.761	S	S	*	*			trans	-88.9	150.5	145.3	-70.2	16.5	0	0	0	107.2
909	F	26.7	Very low	31.8	Very low	212 Å²	212	151.9 Å²	151.9	93%	0.93	77%	0.766	S	S	*	*				-171.1	139.8	124.6	-109.9	-68.8	0	0	0	111.6
910	D	29.9	Very low	31.1	Very low	153 Å²	153	153 Å²	153	82%	0.818	78%	0.778	S	S	*	*			trans	-86.8	168.6	174.2	-76.3	-73.9	0	0	0	113.3
911	N	29.5	Very low	30.5	Very low	150 Å²	150	148.5 Å²	148.5	80%	0.802	78%	0.782	S	S	*	*			trans	-37.1	152.1	169.7	-109.3	-52.4	0	0	0	115.2
912	P	36.7	Very low	29.7	Very low	108 Å²	108	148.8 Å²	148.8	70%	0.701	79%	0.792	S	S	*	*				-161.1	158.2	72	42.5	-21.2	0	0	0	121
913	V	26.3	Very low	29.3	Very low	120 Å²	120	150.6 Å²	150.6	73%	0.727	80%	0.796	S	S	*	*			trans	55	117.9	130.7	-178.5	0	0	0	0	123
914	Y	25.1	Very low	28.7	Very low	218 Å²	218	153.1 Å²	153.1	86%	0.855	80%	0.802	S	S	*	*			trans	34.5	136.6	142.6	-89.5	-84.3	0	0	0	125
915	R	23	Very low	28.3	Very low	220 Å²	220	155.2 Å²	155.2	83%	0.83	80%	0.804	S	S	*	*				112.7	106.9	127.5	-120.7	179	-167.2	-173.6	5.2	121.8
916	K	23.8	Very low	27.9	Very low	175 Å²	175	151.4 Å²	151.4	76%	0.761	79%	0.792	S	S	*	*			trans	74.6	132.3	134.6	-95.5	-162.1	175.6	-163.7	0	124.2
917	T	24.3	Very low	27.6	Very low	116 Å²	116	153.9 Å²	153.9	71%	0.712	79%	0.792	S	S	*	*			trans	69.7	143.8	143.6	48.8	0	0	0	0	119.5
918	T	25.7	Very low	27.5	Very low	138 Å²	138	153 Å²	153	85%	0.847	79%	0.789	S	S	*	*			cis	-162	153.1	10.7	-1.9	0	0	0	0	113.6
919	G	26.1	Very low	27.3	Very low	70 Å²	70	149 Å²	149	72%	0.722	78%	0.783	S	S	*	*			trans	93.6	145.1	151.8	0	0	0	0	0	118.3
920	E	27.9	Very low	27.1	Very low	204 Å²	204	150.3 Å²	150.3	95%	0.953	78%	0.781	S	S	*	*			cis	-152.5	165	-4.8	-64.9	-173.5	130	0	0	111
921	G	27	Very low	27	Very low	68 Å²	68	147.5 Å²	147.5	70%	0.701	77%	0.77	S	S	*	*			trans	99.3	118	179.5	0	0	0	0	0	114.2
922	E	30.2	Very low	26.8	Very low	195 Å²	195	148 Å²	148	91%	0.911	77%	0.772	S	S	*	*			cis	65	126.9	24.9	-69	176.5	163.7	0	0	113.6
923	E	32	Very low	26.3	Very low	185 Å²	185	146.6 Å²	146.6	86%	0.864	78%	0.778	S	S	*	*			cis	-128.3	170	3.2	-59	161	123.9	0	0	108.4
924	D	28.6	Very low	26.3	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	79%	0.79	S	S	*	*			cis	-141.3	179.4	6.5	-95.1	-36.1	0	0	0	107.5
925	E	28.8	Very low	26.3	Very low	155 Å²	155	143 Å²	143	72%	0.724	78%	0.781	S	S	*	*			cis	83.8	138.3	21.2	-68.5	-109.2	168	0	0	118.5
926	I	27.7	Very low	26.6	Very low	116 Å²	116	140.8 Å²	140.8	60%	0.595	78%	0.779	S	S	*	*			cis	-159.6	140	-34.5	-142.5	168.8	0	0	0	114.6
927	H	25.4	Very low	26.7	Very low	157 Å²	157	140 Å²	140	73%	0.727	78%	0.778	S	S	*	*			trans	64.1	150.8	144.6	-88	15.7	0	0	0	128.5
928	I	24.7	Very low	26.8	Very low	163 Å²	163	141.1 Å²	141.1	84%	0.836	78%	0.784	S	S	*	*			trans	74.6	136.3	148.5	-68.7	157.3	0	0	0	120
929	G	23.8	Very low	26.8	Very low	64 Å²	64	141.3 Å²	141.3	66%	0.66	78%	0.776	S	S	*	*			trans	-165.2	-40.4	171.3	0	0	0	0	0	123.9
930	R	23.7	Very low	26.7	Very low	239 Å²	239	144.9 Å²	144.9	90%	0.902	77%	0.773	S	S	*	*			trans	64.9	168	170.7	-146.1	-172.6	173.9	140.1	0.7	119.2
931	T	25.7	Very low	26.6	Very low	94 Å²	94	142.9 Å²	142.9	58%	0.577	76%	0.763	S	S	*	*			trans	72.9	114.8	156.9	43	0	0	0	0	122.1
932	D	26.4	Very low	26.6	Very low	160 Å²	160	148 Å²	148	86%	0.856	77%	0.769	S	S	*	*				60.3	140.7	122.8	-44.5	-14.7	0	0	0	122
933	G	25.8	Very low	26.7	Very low	80 Å²	80	144.4 Å²	144.4	83%	0.825	76%	0.762	S	S	*	*			trans	160.6	99.9	161.4	0	0	0	0	0	116.7
934	M	26.6	Very low	26.4	Very low	199 Å²	199	145.8 Å²	145.8	98%	0.98	76%	0.761	S	S	*	*			trans	-60.7	161.5	168.4	-59.8	161.7	166.4	0	0	113.5
935	G	25.3	Very low	26.9	Very low	64 Å²	64	144.2 Å²	144.2	66%	0.66	76%	0.759	S	S	*	*			trans	145.5	104	131.6	0	0	0	0	0	119.9
936	H	28.4	Very low	26.8	Very low	172 Å²	172	145.6 Å²	145.6	80%	0.796	77%	0.765	S	S	*	*			trans	43.9	129.8	139.1	-74.5	-91.9	0	0	0	123.6
937	H	26.9	Very low	26.8	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.736	78%	0.776	S	S	*	*				13.1	137.8	129.7	-62.2	-100.6	0	0	0	119.8
938	V	25.9	Very low	26.8	Very low	139 Å²	139	143.6 Å²	143.6	84%	0.842	79%	0.785	S	S	*	*				-167.6	158.7	97.2	144.8	0	0	0	0	111.1
939	H	25.7	Very low	26.8	Very low	143 Å²	143	140.2 Å²	140.2	66%	0.662	78%	0.776	S	S	*	*			trans	-68.4	169.5	-175.4	-70	-145.3	0	0	0	116.3
940	H	24.9	Very low	26.8	Very low	144 Å²	144	146.1 Å²	146.1	67%	0.667	79%	0.788	S	S	*	*				112.6	133.1	123.4	-96.8	-58.8	0	0	0	120.9
941	H	25.9	Very low	26.8	Very low	162 Å²	162	138 Å²	138	75%	0.75	78%	0.779	S	S	*	*			trans	80.4	112.6	152.3	-69.1	-59.6	0	0	0	122.3
942	H	27.2	Very low	26.8	Very low	176 Å²	176	140.1 Å²	140.1	82%	0.815	79%	0.792	S	S	*	*			trans	-41.5	149.4	142.2	-82.9	-62.6	0	0	0	113.1
943	P	30.9	Very low	26.7	Very low	120 Å²	120	139.2 Å²	139.2	78%	0.779	79%	0.792	S	S	*	*				-142.3	163.8	87.4	38.4	-23.6	0	0	0	116.8
944	Y	27	Very low	26.7	Very low	213 Å²	213	138.6 Å²	138.6	84%	0.835	79%	0.785	S	S	*	*			trans	-55	153	158.9	-104.3	-91.7	0	0	0	111.4
945	P	38.5	Very low	26.8	Very low	110 Å²	110	134.7 Å²	134.7	71%	0.714	78%	0.784	S	S	*	*				-150.6	155.7	86.5	39.5	-21.7	0	0	0	118.2
946	Q	26	Very low	26.8	Very low	183 Å²	183	135.7 Å²	135.7	86%	0.855	80%	0.795	S	S	*	*			trans	41.4	128.6	140.4	-61.1	179.9	-9.1	0	0	121.3
947	G	27.7	Very low	26.7	Very low	79 Å²	79	131.6 Å²	131.6	81%	0.814	80%	0.799	S	S	*	*			trans	-89.9	-179.6	171.9	0	0	0	0	0	115.2
948	V	25.9	Very low	26.7	Very low	152 Å²	152	127.4 Å²	127.4	92%	0.921	80%	0.799	S	S	*	*			trans	-131.1	151.8	177	179.9	0	0	0	0	109.4
949	S	24.8	Very low	27	Very low	92 Å²	92	127.9 Å²	127.9	64%	0.643	80%	0.803	S	S	*	*			trans	-112	173.7	-172.8	59.7	0	0	0	0	113.8
950	M	24.4	Very low	27	Very low	188 Å²	188	126.8 Å²	126.8	93%	0.926	81%	0.809	S	S	*	*			trans	75	145.5	177.1	-44.7	-173.3	-178.5	0	0	116.1
951	G	22.7	Very low	28	Very low	68 Å²	68	125.2 Å²	125.2	70%	0.701	81%	0.812	S	S	*	*			cis	155.7	166.2	-14.3	0	0	0	0	0	116
952	V	25.2	Very low	28.5	Very low	140 Å²	140	124.9 Å²	124.9	85%	0.848	81%	0.811	S	S	*	*			trans	79.3	142	157.7	-146.6	0	0	0	0	119.8
953	V	26	Very low	28.5	Very low	141 Å²	141	124.4 Å²	124.4	86%	0.855	81%	0.807	S	S	*	*			trans	74	133.8	168	-158.2	0	0	0	0	117.5
954	G	25	Very low	28.4	Very low	67 Å²	67	126 Å²	126	69%	0.691	81%	0.807	S	S	*	*			cis	155.7	151.9	-14.2	0	0	0	0	0	116.7
955	A	27.8	Very low	28.5	Very low	116 Å²	116	120 Å²	120	96%	0.959	80%	0.801	S	S	*	*			trans	89.2	136.4	159.4	0	0	0	0	0	122.9
956	G	25.5	Very low	27.9	Very low	86 Å²	86	122.5 Å²	122.5	89%	0.887	81%	0.808	S	S	*	*			trans	106.3	133.8	158.3	0	0	0	0	0	117.8
957	G	26.8	Very low	29	Very low	85 Å²	85	118.5 Å²	118.5	88%	0.876	80%	0.798	S	S	*	*			cis	151.9	93.4	-20.7	0	0	0	0	0	118.1
958	G	27.8	Very low	29.2	Very low	72 Å²	72	122.9 Å²	122.9	74%	0.742	80%	0.801	S	S	*	*			trans	90.1	161.4	163	0	0	0	0	0	117.6
959	T	31	Very low	29.2	Very low	149 Å²	149	119 Å²	119	91%	0.914	79%	0.793	S	S	*	*			cis	-163.2	162.2	-6.2	22.2	0	0	0	0	111.8
960	C	25.6	Very low	29.2	Very low	119 Å²	119	118.5 Å²	118.5	80%	0.804	80%	0.802	S	S	*	*			trans	-86.3	176.5	177.6	-48.9	0	0	0	0	114.5
961	P	45.8	Very low	29.3	Very low	112 Å²	112	115.2 Å²	115.2	73%	0.727	80%	0.797	S	S	*	*				-138.1	146.9	90.2	32.8	-16.5	0	0	0	114.1
962	Q	37.2	Very low	29.6	Very low	154 Å²	154	119.4 Å²	119.4	72%	0.72	80%	0.801	S	S	*	*				59.2	135	75.4	-64.7	-158	-35.7	0	0	114.7
963	F	27.3	Very low	30.4	Very low	166 Å²	166	118.8 Å²	118.8	73%	0.728	80%	0.8	S	S	*	*			cis	-158.3	173	48.5	-78.9	-77.8	0	0	0	110
964	I	28.8	Very low	30.6	Very low	155 Å²	155	118.7 Å²	118.7	80%	0.795	79%	0.794	S	S	*	*			cis	-175.4	172.1	-14.7	-156.9	174.5	0	0	0	104.8
965	A	28.4	Very low	30.8	Very low	85 Å²	85	120.4 Å²	120.4	70%	0.702	80%	0.802	S	S	*	*			cis	-153.7	-126.2	17.7	0	0	0	0	0	114.4
966	L	27.2	Very low	30.7	Very low	163 Å²	163	118 Å²	118	85%	0.853	79%	0.789	S	S	*	*			trans	-159.1	-178.6	-161.6	-90.6	171.5	0	0	0	108.9
967	P	48.6	Very low	30.8	Very low	99 Å²	99	120.2 Å²	120.2	64%	0.643	79%	0.785	S	S	*	*			cis	-152.2	171.8	24.8	45.2	-24.1	0	0	0	121.6
968	L	30.8	Very low	30.8	Very low	171 Å²	171	123.4 Å²	123.4	90%	0.895	78%	0.777	S	S	*	*			trans	65.7	146.8	150.7	-69.4	157.1	0	0	0	121.4
969	G	25.6	Very low	30.7	Very low	72 Å²	72	130 Å²	130	74%	0.742	78%	0.779	S	S	*	*			cis	164.5	155	-11.1	0	0	0	0	0	116.5
970	G	25.5	Very low	30.4	Very low	80 Å²	80	132 Å²	132	83%	0.825	77%	0.772	S	S	*	*			trans	96.6	152.6	170	0	0	0	0	0	116.5
971	S	27.1	Very low	30.5	Very low	120 Å²	120	131.5 Å²	131.5	84%	0.839	77%	0.765	S	S	*	*			cis	-168.2	145	-13	50.6	0	0	0	0	111.3
972	M	28.1	Very low	29.5	Very low	156 Å²	156	135 Å²	135	77%	0.768	77%	0.772	S	S	*	*			trans	-80.5	163.8	174.7	-59.8	172.1	78.1	0	0	112.6
973	P	42.2	Very low	29.1	Very low	127 Å²	127	136.4 Å²	136.4	83%	0.825	78%	0.778	S	S	*	*				-144	167.4	95.5	40.2	-26.5	0	0	0	115.9
974	D	30.1	Very low	29.6	Very low	138 Å²	138	133.5 Å²	133.5	74%	0.738	78%	0.776	S	S	*	*			trans	-80.3	156.7	174.1	-57.6	-75.7	0	0	0	114.3
975	A	30.7	Very low	29.5	Very low	104 Å²	104	133.8 Å²	133.8	86%	0.86	78%	0.776	S	S	*	*				161.8	140.7	114.8	0	0	0	0	0	115.3
976	G	25.3	Very low	29.4	Very low	66 Å²	66	136.5 Å²	136.5	68%	0.68	78%	0.778	S	S	*	*				95.5	90.8	127.9	0	0	0	0	0	122.3
977	T	27.8	Very low	29.5	Very low	131 Å²	131	134.7 Å²	134.7	80%	0.804	78%	0.779	S	S	*	*				59	141	125.9	49.5	0	0	0	0	125.1
978	H	26.9	Very low	28.6	Very low	153 Å²	153	136.2 Å²	136.2	71%	0.708	79%	0.786	S	S	*	*			trans	88.4	98	143.9	-87.3	-70.9	0	0	0	123.3
979	W	24.8	Very low	28.5	Very low	210 Å²	210	132.7 Å²	132.7	80%	0.795	78%	0.782	S	S	*	*				62.6	161	123	-78.9	66.5	0	0	0	123.2
980	Y	25.6	Very low	28.7	Very low	191 Å²	191	142.3 Å²	142.3	75%	0.749	80%	0.803	S	S	*	*			trans	84.1	95.1	168.8	-82.2	-89.1	0	0	0	121
981	T	26.7	Very low	28.9	Very low	108 Å²	108	145.4 Å²	145.4	66%	0.663	80%	0.802	S	S	*	*				32.3	148.2	126.5	64	0	0	0	0	124.3
982	E	25.8	Very low	29	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	80%	0.8	S	S	*	*			trans	87.1	163.1	146.3	-87.2	179.1	-154.8	0	0	120.9
983	Q	27.5	Very low	29	Very low	183 Å²	183	146.2 Å²	146.2	86%	0.855	80%	0.802	S	S	*	*			trans	-89.4	-168.5	-167.4	-58.6	-172.4	-18.8	0	0	110.6
984	P	39.1	Very low	28.3	Very low	104 Å²	104	147.4 Å²	147.4	68%	0.675	80%	0.8	S	S	*	*			cis	-151.8	-174.9	8.7	47.9	-27.6	0	0	0	119.6
985	M	25	Very low	28.2	Very low	162 Å²	162	147.9 Å²	147.9	80%	0.798	80%	0.804	S	S	*	*			trans	68.6	126.8	146.3	-64.3	-126.2	171.8	0	0	123
986	L	28.2	Very low	28	Very low	142 Å²	142	150.9 Å²	150.9	74%	0.743	80%	0.801	S	S	*	*			trans	44.3	128.7	140.8	-82.7	75.7	0	0	0	121.4
987	S	27.8	Very low	28.2	Very low	125 Å²	125	156.9 Å²	156.9	87%	0.874	81%	0.809	S	S	*	*				-160.5	162	104.6	32.1	0	0	0	0	113.1
988	T	30.2	Very low	28.2	Very low	131 Å²	131	158.9 Å²	158.9	80%	0.804	81%	0.81	S	S	*	*			trans	-96.4	169.4	-160.9	44	0	0	0	0	115.3
989	A	27.8	Very low	28.3	Very low	96 Å²	96	159.4 Å²	159.4	79%	0.793	82%	0.818	S	S	*	*			trans	80.9	147	165.8	0	0	0	0	0	116.2
990	K	31.3	Very low	28.6	Very low	274 Å²	274	154.8 Å²	154.8	100%	1.191	82%	0.82	S	S	*	*			cis	-144.9	0	14.9	-159.9	179.8	-174.4	-176.7	0	112.9

Retrieved 990 of 990 residues in 672.7 ms (Link to these results)

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