X5DR95_HUMAN Loading...

Semaphorin-5A

Bifunctional axonal guidance cue regulated by sulfated proteoglycans; attractive effects result from interactions with heparan sulfate proteoglycans (HSPGs), while the inhibitory effects depend on interactions with chondroitin sulfate proteoglycans (CSPGs). Ligand for receptor PLXNB3. In glioma cells, SEMA5A stimulation of PLXNB3 results in the disassembly of F-actin stress fibers, disruption of focal adhesions and cellular collapse as well as inhibition of cell migration and invasion through ARHGDIA-mediated inactivation of RAC1. May promote angiogenesis by increasing endothelial cell proliferation and migration and inhibiting apoptosis.

AlphaFold DB (Q13591), UniProt , Accession X5DR95, Species HUMAN (Homo sapiens, Human), Gene SEMA5A, Length 1,074 aa.

						>X5DR95_HUMAN|X5DR95|SEMA5A
MKGTCVIAWLFSSLGLWRLAHPEAQGTTQCQRTEHPVISYKEIGPWLREFRAKNAVDFSQLTFDPGQKELVVGARNYLFRLQLEDLSLIQAVEWECDEATKKACYSKGKSKEECQNYIRVLLVGGDRLFTCGTNAFTPVCTNRSLSNLTEIHDQISGMARCPYSPQHNSTALLTAGGELYAATAMDFPGRDPAIYRSLGILPPLRTAQYNSKWLNEPNFVSSYDIGNFTYFFFRENAVEHDCGKTVFSRAARVCKNDIGGRFLLEDTWTTFMKARLNCSRPGEVPFYYNELQSTFFLPELDLIYGIFTTNVNSIAASAVCVFNLSAIAQAFSGPFKYQENSRSAWLPYPNPNPHFQCGTVDQGLYVNLTERNLQDAQKFILMHEVVQPVTTVPSFMEDNSRFSHVAVDVVQGREALVHIIYLATDYGTIKKVRVPLNQTSSSCLLEEIELFPERRREPIRSLQILHSQSVLFVGLREHVVKIPLKRCQFYRTRSTCIGAQDPYCGWDVVMKKCTSLEESLSMTQWEQSISACPTRNLTVDGHFGVWSPWTPCTHTDGSAVGSCLCRTRSCDSPAPQCGGWQCEGPGMEIANCSRNGGWTPWTSWSPCSTTCGIGFQVRQRSCSNPTPRHGGRVCVGQNREERYCNEHLLCPPHMFWTGWGPWERCTAQCGGGIQARRRICENGPDCAGCNVEYQSCNTNPCPELKKTTPWTPWTPVNISDNGGHYEQRFRYTCKARLADPNLLEVGRQRIEMRYCSSDGTSGCSTDGLSGDFLRAGRYSAHTVNGAWSAWTSWSQCSRDCSRGIRNRKRVCNNPEPKYGGMPCLGPSLEYQECNILPCPVDGVWSCWSPWTKCSATCGGGHYMRTRSCSNPAPAYGGDICLGLHTEEALCNTQPCPESWSEWSDWSECEASGVQVRARQCILLFPMGSQCSGNTTESRPCVFDSNFIPEVSVARSSSVEEKRCGEFNMFHMIAVGLSSSILGCLLTLLVYTYCQRYQQQSHDATVIHPVSPAPLNTSITNHINKLDKYDSVEAIKAFNKNNLILEERNKYFNPHLTGKTYSNAYFTDLNNYDEY
					

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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	37.5	Very low	36.4	Very low	244 Å²	244	156.8 Å²	156.8	100%	1.202	84%	0.842	S	S	*	*				0	76.6	0	-68.6	165.9	167.1	0	0	106.5
2	K	30.7	Very low	36.4	Very low	216 Å²	216	152.3 Å²	152.3	94%	0.939	83%	0.832	S	S	*	*				61.6	94.4	80.6	-75.7	-165.4	179.1	-177.7	0	114.1
3	G	34.9	Very low	36.5	Very low	66 Å²	66	148.2 Å²	148.2	68%	0.68	82%	0.821	S	S	*	*			trans	89.4	102.2	139.1	0	0	0	0	0	116.5
4	T	34.8	Very low	36.4	Very low	146 Å²	146	149.9 Å²	149.9	90%	0.896	83%	0.826	S	S	*	*			trans	154.7	76	141.5	41.7	0	0	0	0	111.4
5	C	34.3	Very low	36.3	Very low	125 Å²	125	144.6 Å²	144.6	85%	0.845	82%	0.82	S	S	*	*			trans	-164	61.9	164.3	-108.6	0	0	0	0	110.9
6	V	40.3	Very low	36.3	Very low	133 Å²	133	145.9 Å²	145.9	81%	0.806	82%	0.823	S	S	*	*	S	Bend	trans	-127.9	2.1	175.3	-178.9	0	0	0	0	112.3
7	I	40.9	Very low	36	Very low	148 Å²	148	152 Å²	152	76%	0.759	83%	0.83	S	S	*	*	S	Bend	trans	-113.8	-2.5	-173.3	-61.9	175.2	0	0	0	113.5
8	A	37.6	Very low	35.8	Very low	82 Å²	82	156.3 Å²	156.3	68%	0.678	83%	0.832	S	S	*	*	S	Bend	trans	-95.8	2.1	-177	0	0	0	0	0	115.7
9	W	37	Very low	35.6	Very low	232 Å²	232	156.6 Å²	156.6	88%	0.879	83%	0.833	S	S	*	*	S	Bend	trans	-109	4.5	-174.5	-101.8	80.1	0	0	0	115.4
10	L	36.4	Very low	35.6	Very low	139 Å²	139	153.4 Å²	153.4	73%	0.728	83%	0.83	S	S	*	*	S	Bend	trans	-116.7	0.9	-177.3	-77.5	165.2	0	0	0	115.1
11	F	36.4	Very low	35.4	Very low	194 Å²	194	153.2 Å²	153.2	85%	0.851	82%	0.823	S	S	*	*	S	Bend	trans	-118.1	12.1	-178.6	-80.9	-76.8	0	0	0	115.3
12	S	36.5	Very low	35.1	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	81%	0.805	S	S	*	*	S	Bend	trans	-102.3	7.3	177.6	52.7	0	0	0	0	114.8
13	S	37.2	Very low	35.2	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	80%	0.799	S	S	*	*	S	Bend	trans	-105.3	-0.4	-172.2	52.9	0	0	0	0	116.5
14	L	35.2	Very low	35.2	Very low	172 Å²	172	146.2 Å²	146.2	90%	0.901	80%	0.798	S	S	*	*			trans	-145.5	99.9	179.3	-78.7	158.2	0	0	0	111.2
15	G	35.1	Very low	35.2	Very low	71 Å²	71	147.5 Å²	147.5	73%	0.732	79%	0.793	S	S	*	*			trans	-173.5	94	176.9	0	0	0	0	0	115
16	L	36.1	Very low	35.4	Very low	166 Å²	166	144 Å²	144	87%	0.869	78%	0.779	S	S	*	*			trans	58.2	92.7	154.2	-74.5	127.1	0	0	0	118.7	R18	L16-R18 PolarHBondContact O-N 3.45Å
17	W	30.2	Very low	35.6	Very low	249 Å²	249	143 Å²	143	94%	0.943	77%	0.773	S	S	*	*			trans	-51.1	101.4	149.3	-79	62.1	0	0	0	110.5
18	R	33.7	Very low	35.8	Very low	229 Å²	229	140.7 Å²	140.7	86%	0.864	77%	0.766	S	S	*	*			trans	-98.8	121.5	150.6	-86.3	-168	176.6	-164.5	0.7	107.6	L16 A20	L16-R18 PolarHBondContact O-N 3.45Å; R18-A20 PolarHBondContact O-N 2.78Å
19	L	31.6	Very low	36.4	Very low	163 Å²	163	142.2 Å²	142.2	85%	0.853	76%	0.759	S	S	*	*			trans	-50.7	95.9	167.2	-70.5	150.4	0	0	0	109.1
20	A	34.5	Very low	37.1	Very low	92 Å²	92	133.3 Å²	133.3	76%	0.76	73%	0.732	S	S	*	*			trans	-104.9	113.9	163.6	0	0	0	0	0	106.3	R18	R18-A20 PolarHBondContact O-N 2.78Å
21	H	32.7	Very low	37.4	Very low	150 Å²	150	134.8 Å²	134.8	69%	0.694	74%	0.735	S	S	*	*			trans	-53.5	142.2	179.7	-70.5	-30.4	0	0	0	111.9	E23	H21-E23 PolarHBondContact O-N 2.83Å
22	P	31.8	Very low	38	Very low	128 Å²	128	133.2 Å²	133.2	83%	0.831	72%	0.723	S	S	*	*			trans	-78.3	75.2	173.2	33.9	-31.5	0	0	0	109.1
23	E	31.4	Very low	38.6	Very low	170 Å²	170	133.5 Å²	133.5	79%	0.794	72%	0.721	S	S	*	*			trans	-127.9	69.5	176.5	-77.4	-175.7	152	0	0	109.9	H21	H21-E23 PolarHBondContact O-N 2.83Å
24	A	36.3	Very low	39.7	Very low	80 Å²	80	133 Å²	133	66%	0.661	71%	0.708	S	S	*	*	S	Bend	trans	-164.6	-3.1	166.2	0	0	0	0	0	116.6
25	Q	35	Very low	41.6	Very low	173 Å²	173	127.1 Å²	127.1	81%	0.808	68%	0.676	S	S	*	*	S	Bend	trans	-88.2	-5.3	-175.2	-83.6	178	-24.1	0	0	115.4
26	G	38.5	Very low	44	Very low	53 Å²	53	125.1 Å²	125.1	55%	0.546	65%	0.65	S	S	.	*	S	Bend	trans	-83.4	-19.8	-174.3	0	0	0	0	0	116.4
27	T	43.1	Very low	46.4	Very low	111 Å²	111	119.3 Å²	119.3	68%	0.681	62%	0.621	S	S	*	*	S	Bend	trans	-88.9	-24.7	-171.2	42.4	0	0	0	0	114.4
28	T	46.6	Very low	49.3	Very low	99 Å²	99	107.9 Å²	107.9	61%	0.607	58%	0.578	S	S	*	*	S	Bend	trans	-82.6	-23.9	179.2	47.7	0	0	0	0	113.6	C30	T28-C30 VanDerWaalsContact C-N 3.25Å; T28-C30 PolarHBondContact O-N 2.84Å
29	Q	49.3	Very low	52	Low	115 Å²	115	98.5 Å²	98.5	54%	0.537	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-70.5	-26.8	-178	-152.6	165.2	3.9	0	0	112	R32 L537	Q29-R32 PolarHBondContact O-N 3.31Å; Q29-L537 WeakPolarHBondContact O-CD1 3.2Å
30	C	50.8	Low	54.8	Low	45 Å²	45	94.2 Å²	94.2	30%	0.304	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-91	-2.6	-170.8	-64.2	0	0	0	0	115.7	T28 C577	T28-C30 VanDerWaalsContact C-N 3.25Å; T28-C30 PolarHBondContact O-N 2.84Å; C30-C577 WeakPolarHBondContact CA-SG 3.03Å; C30-C577 HydrophobicContact CB-CB 3.27Å; C30-C577 WeakPolarHBondContact CB-SG 3.21Å; C30-C577 WeakPolarHBondContact SG-CA 3.41Å; C30-C577 WeakPolarHBondContact SG-CB 3.4Å; C30-C577 CovalentContact SG-SG 2.05Å; C30-C577 PolarHBondContact SG-SG 3.4Å
31	Q	43.1	Very low	57.5	Low	170 Å²	170	98.9 Å²	98.9	79%	0.794	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-99.3	3.4	169.4	-67.5	-173.1	-29.4	0	0	112.6	T33	Q31-T33 PolarHBondContact O-N 2.94Å
32	R	48.8	Very low	60.3	Low	160 Å²	160	95.6 Å²	95.6	60%	0.604	51%	0.509	S	S	*	.			trans	-78.6	114.4	179.2	-76.2	-175.9	173.6	-178.5	-2.2	110.5	Q29 E34 L537	Q29-R32 PolarHBondContact O-N 3.31Å; R32-E34 VanDerWaalsContact C-N 3.35Å; R32-E34 HydrophobicContact CB-CG 4.27Å; R32-E34 PolarHBondContact O-N 3.4Å; R32-L537 HydrophobicContact CB-CD1 4.05Å; R32-L537 WeakPolarHBondContact O-CD1 3.21Å
33	T	49.8	Very low	63.1	Low	110 Å²	110	89.6 Å²	89.6	68%	0.675	47%	0.47	S	S	*	.			trans	-68.8	97.3	161.7	50.7	0	0	0	0	107.8	Q31 T534	Q31-T33 PolarHBondContact O-N 2.94Å; T33-T534 HydrophobicContact CG2-CG2 3.73Å
34	E	60.9	Low	66	Low	87 Å²	87	82.9 Å²	82.9	41%	0.407	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-85.1	132.2	172.5	-69.3	-170.2	172.5	0	0	109.7	R32 R535 L537	R32-E34 VanDerWaalsContact C-N 3.35Å; R32-E34 HydrophobicContact CB-CG 4.27Å; R32-E34 PolarHBondContact O-N 3.4Å; E34-R535 PolarHBondContact O-N 2.93Å; E34-L537 HydrophobicContact CG-CD2 4.35Å
35	H	75.2	Confident	68.7	Low	48 Å²	48	83.5 Å²	83.5	22%	0.222	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-67.2	150.7	172.7	55.2	-78.4	0	0	0	110.3	V37 L444 E447	H35-V37 PolarHBondContact O-N 3.36Å; H35-L444 HydrophobicContact CB-CB 4.26Å; H35-L444 HydrophobicContact CB-CD2 3.93Å; H35-L444 HydrophobicContact CB-CG 3.77Å; H35-L444 VanDerWaalsContact CD2-CD2 3.46Å; H35-L444 WeakPolarHBondContact CD2-CD2 3.46Å; H35-L444 WeakPolarHBondContact ND1-CD2 3.46Å; H35-E447 IonicContact CD2-OE2 3.76Å; H35-E447 IonicContact CE1-OE2 2.79Å; H35-E447 IonicContact NE2-OE2 3.36Å; H35-E447 PolarHBondContact NE2-OE2 3.31Å
36	P	83.9	Confident	71.4	Confident	30 Å²	30	78.3 Å²	78.3	20%	0.195	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-58	125.3	171.6	-23.1	32.6	0	0	0	111.9	L445 E446 E447 P533	P36-L445 WeakPolarHBondContact CD-O 3.26Å; P36-L445 WeakPolarHBondContact CG-O 3.09Å; P36-E446 CarbonylContact O-C 3.48Å; P36-E446 VanDerWaalsContact O-CA 3.26Å; P36-E446 WeakPolarHBondContact O-CA 3.13Å; P36-E447 PolarHBondContact O-N 2.86Å; P36-P533 HydrophobicContact CG-CB 4.07Å; P36-P533 HydrophobicContact CG-CG 4.19Å
37	V	87.3	Confident	74	Confident	44 Å²	44	76.3 Å²	76.3	27%	0.267	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.9	168.3	-176.7	0	0	0	0	108	H35 E447 E449 R535	H35-V37 PolarHBondContact O-N 3.36Å; V37-E447 CarbonylContact C-O 3.36Å; V37-E447 WeakPolarHBondContact CA-O 3.41Å; V37-E447 HydrophobicContact CG2-CB 4.41Å; V37-E449 HydrophobicContact CG1-CG 4.03Å; V37-R535 PolarHBondContact O-NH1 3.02Å
38	I	90.2	Very high	76.4	Confident	8 Å²	8	77.2 Å²	77.2	4%	0.041	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.5	174.7	-57	-178.5	0	0	0	107.6	E42 I43 E446 E447 E449	I38-E42 HydrophobicContact CG2-CB 3.83Å; I38-I43 HydrophobicContact CG2-CB 3.85Å; I38-I43 HydrophobicContact CG2-CD1 4.41Å; I38-E446 HydrophobicContact CD1-CB 4.32Å; I38-E446 WeakPolarHBondContact CD1-OE2 3.43Å; I38-E447 PolarHBondContact N-O 3.14Å; I38-E449 PolarHBondContact O-N 2.85Å
39	S	90.9	Very high	78.7	Confident	33 Å²	33	75.5 Å²	75.5	23%	0.231	37%	0.37	C	S	.	.			trans	-69.2	158.5	-179.6	65.3	0	0	0	0	111.8	K41 E42 I43	S39-K41 PolarHBondContact O-N 2.84Å; S39-K41 VanDerWaalsContact O-N 3.11Å; S39-E42 PolarHBondContact N-OE2 3.26Å; S39-E42 PolarHBondContact O-N 2.72Å; S39-E42 VanDerWaalsContact OG-CG 3.3Å; S39-E42 WeakPolarHBondContact OG-CG 3.19Å; S39-E42 PolarHBondContact OG-N 3.06Å; S39-E42 PolarHBondContact OG-OE2 2.04Å; S39-I43 PolarHBondContact O-N 3.01Å
40	Y	91.1	Very high	81	Confident	73 Å²	73	70.8 Å²	70.8	29%	0.286	35%	0.348	S	S	.	.	H	α-helix	trans	-50.8	-37.8	174.9	176.7	-107	0	0	0	113.3	I43 G44 E449 L450 F451 P452	Y40-I43 WeakPolarHBondContact O-CG2 3.33Å; Y40-G44 PolarHBondContact O-N 3.17Å; Y40-E449 WeakPolarHBondContact CA-O 3.4Å; Y40-L450 WeakPolarHBondContact CD2-O 3.17Å; Y40-L450 WeakPolarHBondContact CE2-O 3.32Å; Y40-F451 WeakPolarHBondContact CB-O 3.47Å; Y40-P452 HydrophobicContact CD1-CB 4.41Å; Y40-P452 HydrophobicContact CD1-CG 3.77Å; Y40-P452 HydrophobicContact CE1-CG 3.87Å; Y40-P452 HydrophobicContact CG-CG 4.35Å
41	K	91.4	Very high	83.2	Confident	189 Å²	189	74 Å²	74	82%	0.822	35%	0.354	S	S	*	.	H	α-helix	trans	-68.9	-34.7	179	-67.6	-177.8	-177.4	172.8	0	112.8	S39	S39-K41 PolarHBondContact O-N 2.84Å; S39-K41 VanDerWaalsContact O-N 3.11Å
42	E	90.1	Very high	85.6	Confident	81 Å²	81	67.1 Å²	67.1	38%	0.379	33%	0.326	S	S	.	.	H	α-helix	trans	-78.6	-38	-178.7	-71.3	167.4	142.7	0	0	112.1	I38 S39 P45 F489	I38-E42 HydrophobicContact CG2-CB 3.83Å; S39-E42 PolarHBondContact N-OE2 3.26Å; S39-E42 PolarHBondContact O-N 2.72Å; S39-E42 VanDerWaalsContact OG-CG 3.3Å; S39-E42 WeakPolarHBondContact OG-CG 3.19Å; S39-E42 PolarHBondContact OG-N 3.06Å; S39-E42 PolarHBondContact OG-OE2 2.04Å; E42-P45 WeakPolarHBondContact O-CD 3.02Å; E42-F489 HydrophobicContact CB-CE2 4.41Å; E42-F489 HydrophobicContact CB-CZ 4.47Å
43	I	92.3	Very high	87.6	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-77.2	-28.9	177.7	-164.8	68.2	0	0	0	112.2	I38 S39 Y40 P45 W46 L47 I448	I38-I43 HydrophobicContact CG2-CB 3.85Å; I38-I43 HydrophobicContact CG2-CD1 4.41Å; S39-I43 PolarHBondContact O-N 3.01Å; Y40-I43 WeakPolarHBondContact O-CG2 3.33Å; I43-P45 VanDerWaalsContact C-CD 3.44Å; I43-P45 VanDerWaalsContact O-N 3.1Å; I43-W46 HydrophobicContact CD1-CB 4.34Å; I43-W46 WeakPolarHBondContact O-CA 3.36Å; I43-W46 WeakPolarHBondContact O-CB 3.41Å; I43-W46 PolarHBondContact O-N 3.25Å; I43-L47 HydrophobicContact CG1-CD2 3.68Å; I43-L47 HydrophobicContact CG1-CG 4.09Å; I43-L47 HydrophobicContact CG2-CD1 4.02Å; I43-L47 HydrophobicContact CG2-CG 4.35Å; I43-L47 PolarHBondContact O-N 3.16Å; I43-I448 HydrophobicContact CB-CG2 4.18Å; I43-I448 HydrophobicContact CD1-CG2 4.21Å; I43-I448 HydrophobicContact CG1-CG2 3.8Å; I43-I448 HydrophobicContact CG2-CG2 4.23Å
44	G	91.3	Very high	89.4	Confident	30 Å²	30	68.4 Å²	68.4	31%	0.309	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-42.1	-47.6	-174.8	0	0	0	0	0	116.2	Y40 W46 L47	Y40-G44 PolarHBondContact O-N 3.17Å; G44-W46 PolarHBondContact O-N 2.74Å; G44-L47 PolarHBondContact O-N 2.64Å; G44-L47 VanDerWaalsContact O-N 3.12Å
45	P	92.8	Very high	90.9	Very high	93 Å²	93	64.5 Å²	64.5	60%	0.604	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-60.2	-26.1	178.6	-25.7	35.7	0	0	0	115.2	E42 I43 R48	E42-P45 WeakPolarHBondContact O-CD 3.02Å; I43-P45 VanDerWaalsContact C-CD 3.44Å; I43-P45 VanDerWaalsContact O-N 3.1Å; P45-R48 PolarHBondContact O-NH1 3.3Å
46	W	91	Very high	91.9	Very high	63 Å²	63	63.7 Å²	63.7	24%	0.239	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-89.3	-14.2	-179.5	-63.6	88.3	0	0	0	113.2	I43 G44 P483 R486 Q488 F489	I43-W46 HydrophobicContact CD1-CB 4.34Å; I43-W46 WeakPolarHBondContact O-CA 3.36Å; I43-W46 WeakPolarHBondContact O-CB 3.41Å; I43-W46 PolarHBondContact O-N 3.25Å; G44-W46 PolarHBondContact O-N 2.74Å; W46-P483 HydrophobicContact CB-CG 4.34Å; W46-P483 HydrophobicContact CE3-CG 3.91Å; W46-P483 WeakPolarHBondContact O-CD 2.99Å; W46-R486 HydrophobicContact CD2-CB 4.44Å; W46-R486 HydrophobicContact CD2-CG 4.11Å; W46-R486 HydrophobicContact CE3-CB 4.24Å; W46-R486 HydrophobicContact CE3-CG 3.77Å; W46-R486 HydrophobicContact CH2-CB 4.28Å; W46-R486 HydrophobicContact CZ3-CB 4.15Å; W46-R486 HydrophobicContact CZ3-CG 4.07Å; W46-Q488 HydrophobicContact CH2-CB 3.88Å; W46-Q488 HydrophobicContact CH2-CG 4.39Å; W46-Q488 HydrophobicContact CZ2-CB 4.26Å; W46-F489 HydrophobicContact CZ2-CB 4.23Å; W46-F489 AromaticContact NE1-CD2 3.86Å
47	L	93.3	Very high	92.4	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.058	31%	0.306	C	S	.	.			trans	-79.4	141.9	179.3	-57.2	-172.5	0	0	0	110.3	I43 G44 E49 V480 I482	I43-L47 HydrophobicContact CG1-CD2 3.68Å; I43-L47 HydrophobicContact CG1-CG 4.09Å; I43-L47 HydrophobicContact CG2-CD1 4.02Å; I43-L47 HydrophobicContact CG2-CG 4.35Å; I43-L47 PolarHBondContact O-N 3.16Å; G44-L47 PolarHBondContact O-N 2.64Å; G44-L47 VanDerWaalsContact O-N 3.12Å; L47-E49 HydrophobicContact CB-CG 4.5Å; L47-V480 HydrophobicContact CB-CG1 4.12Å; L47-V480 HydrophobicContact CD1-CG1 4.1Å; L47-V480 HydrophobicContact CD2-CG1 3.71Å; L47-V480 HydrophobicContact CG-CG1 4.19Å; L47-I482 HydrophobicContact CD2-CB 4.48Å; L47-I482 HydrophobicContact CD2-CD1 4.27Å; L47-I482 HydrophobicContact CD2-CG1 3.76Å; L47-I482 HydrophobicContact CD2-CG2 4.44Å
48	R	95.3	Very high	92.9	Very high	130 Å²	130	60.8 Å²	60.8	49%	0.491	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.7	158.2	-60.5	-68.1	176.9	-106.1	3.5	107	P45 L86 V480 K481	P45-R48 PolarHBondContact O-NH1 3.3Å; R48-L86 HydrophobicContact CB-CD1 4.49Å; R48-L86 WeakPolarHBondContact O-CD1 3.01Å; R48-V480 CarbonylContact O-C 3.55Å; R48-V480 WeakPolarHBondContact O-CA 3.22Å; R48-K481 HydrophobicContact CB-CB 4.2Å; R48-K481 PolarHBondContact N-O 2.92Å; R48-K481 PolarHBondContact O-N 2.83Å
49	E	94.9	Very high	93.1	Very high	64 Å²	64	61 Å²	61	30%	0.299	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.4	-174.6	-57.6	-171.5	-177.2	0	0	110.4	L47 R51 H478 V479 V480	L47-E49 HydrophobicContact CB-CG 4.5Å; E49-R51 IonicContact OE2-CZ 2.77Å; E49-R51 IonicContact OE2-NE 3.08Å; E49-R51 PolarHBondContact OE2-NE 2.03Å; E49-R51 IonicContact OE2-NH2 2.63Å; E49-R51 PolarHBondContact OE2-NH2 3.26Å; E49-H478 IonicContact OE2-CD2 3.86Å; E49-H478 IonicContact OE2-NE2 3.97Å; E49-V479 CarbonylContact C-O 3.59Å; E49-V479 WeakPolarHBondContact CA-O 3.02Å; E49-V480 HydrophobicContact CG-CG2 4.2Å
50	F	96.9	Very high	93.3	Very high	16 Å²	16	62 Å²	62	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.4	167.1	172.8	-102.5	0	0	0	110.4	A52 F58 F79 L81 L86 L88 H478 V479	F50-A52 HydrophobicContact CE1-CB 4.12Å; F50-A52 HydrophobicContact CZ-CB 3.94Å; F50-F58 HydrophobicContact CD1-CE1 4.22Å; F50-F58 HydrophobicContact CE1-CE1 4.12Å; F50-F79 HydrophobicContact CE1-CB 4.23Å; F50-F79 AromaticContact CE1-CD1 3.9Å; F50-F79 HydrophobicContact CE1-CD1 3.9Å; F50-F79 AromaticContact CE1-CD2 3.92Å; F50-F79 HydrophobicContact CE1-CD2 3.92Å; F50-F79 HydrophobicContact CE1-CE1 4.21Å; F50-F79 HydrophobicContact CE1-CE2 4.21Å; F50-F79 AromaticContact CE1-CG 3.74Å; F50-F79 HydrophobicContact CE1-CG 3.74Å; F50-F79 HydrophobicContact CE1-CZ 4.36Å; F50-F79 AromaticContact CZ-CD1 3.72Å; F50-F79 HydrophobicContact CZ-CD1 3.72Å; F50-F79 HydrophobicContact CZ-CE1 4Å; F50-F79 HydrophobicContact CZ-CG 4.02Å; F50-L81 HydrophobicContact CB-CD1 3.83Å; F50-L81 HydrophobicContact CD1-CD1 3.6Å; F50-L81 HydrophobicContact CD1-CD2 3.91Å; F50-L81 HydrophobicContact CD1-CG 4.39Å; F50-L81 HydrophobicContact CD2-CD1 4.36Å; F50-L81 HydrophobicContact CD2-CD2 3.62Å; F50-L81 HydrophobicContact CE1-CD1 4.26Å; F50-L81 HydrophobicContact CE1-CD2 3.92Å; F50-L81 HydrophobicContact CE2-CD2 3.67Å; F50-L81 HydrophobicContact CG-CD1 3.65Å; F50-L81 HydrophobicContact CG-CD2 3.76Å; F50-L81 HydrophobicContact CG-CG 4.39Å; F50-L81 HydrophobicContact CZ-CD2 3.8Å; F50-L86 HydrophobicContact CB-CB 4.04Å; F50-L86 HydrophobicContact CB-CD1 4.39Å; F50-L88 HydrophobicContact CE2-CB 4Å; F50-L88 HydrophobicContact CE2-CD1 4.02Å; F50-L88 HydrophobicContact CE2-CG 4.42Å; F50-L88 HydrophobicContact CZ-CD1 3.92Å; F50-H478 WeakPolarHBondContact O-CA 3.04Å; F50-H478 WeakPolarHBondContact O-CB 3.31Å; F50-V479 PolarHBondContact N-O 2.95Å; F50-V479 PolarHBondContact O-N 2.61Å
51	R	96.2	Very high	93.5	Very high	113 Å²	113	58.6 Å²	58.6	43%	0.426	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.9	176.7	-77.3	167.5	-166.5	-83.8	2	109.2	E49 E477 H478	E49-R51 IonicContact OE2-CZ 2.77Å; E49-R51 IonicContact OE2-NE 3.08Å; E49-R51 PolarHBondContact OE2-NE 2.03Å; E49-R51 IonicContact OE2-NH2 2.63Å; E49-R51 PolarHBondContact OE2-NH2 3.26Å; R51-E477 IonicContact NH1-OE2 2.96Å; R51-H478 HydrophobicContact CG-CB 3.49Å; R51-H478 VanDerWaalsContact CG-CB 3.49Å; R51-H478 VanDerWaalsContact CZ-CG 3.48Å; R51-H478 PolarHBondContact NH1-ND1 3.44Å; R51-H478 PolarHBondContact NH2-CD2 3.03Å; R51-H478 PolarHBondContact NH2-CE1 3.45Å; R51-H478 PolarHBondContact NH2-ND1 2.91Å; R51-H478 PolarHBondContact NH2-NE2 2.87Å
52	A	94.3	Very high	93.7	Very high	25 Å²	25	50.7 Å²	50.7	21%	0.207	25%	0.251	C	S	.	.			trans	-124.1	138.4	171.9	0	0	0	0	0	110.3	F50 N54 A55 F79	F50-A52 HydrophobicContact CE1-CB 4.12Å; F50-A52 HydrophobicContact CZ-CB 3.94Å; A52-N54 PolarHBondContact O-N 2.98Å; A52-A55 HydrophobicContact CB-CB 3.8Å; A52-A55 PolarHBondContact O-N 2.89Å; A52-F79 HydrophobicContact CB-CE1 3.76Å; A52-F79 HydrophobicContact CB-CE2 4.32Å; A52-F79 HydrophobicContact CB-CZ 3.48Å; A52-F79 VanDerWaalsContact CB-CZ 3.48Å
53	K	90.5	Very high	93.9	Very high	182 Å²	182	48.9 Å²	48.9	79%	0.791	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	133.3	-179.7	-169.9	179.2	-179.5	-178.2	0	109.6	A55	K53-A55 PolarHBondContact O-N 3.32Å
54	N	87.4	Confident	93.7	Very high	115 Å²	115	49.1 Å²	49.1	62%	0.615	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	-7.5	-179.3	-53.1	-28.4	0	0	0	116.8	A52 R75	A52-N54 PolarHBondContact O-N 2.98Å; N54-R75 PolarHBondContact O-NH2 2.01Å; N54-R75 VanDerWaalsContact O-NH2 3.11Å
55	A	93.3	Very high	93	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.033	26%	0.264	C	S	.	.			trans	-80.8	135.3	173.1	0	0	0	0	0	110.4	A52 K53 F58 Y77 F79	A52-A55 HydrophobicContact CB-CB 3.8Å; A52-A55 PolarHBondContact O-N 2.89Å; K53-A55 PolarHBondContact O-N 3.32Å; A55-F58 HydrophobicContact CB-CE2 4.36Å; A55-F58 HydrophobicContact CB-CZ 3.84Å; A55-Y77 HydrophobicContact CB-CD2 3.66Å; A55-Y77 HydrophobicContact CB-CE2 4.13Å; A55-Y77 HydrophobicContact CB-CG 4.4Å; A55-F79 HydrophobicContact CB-CE2 4.14Å; A55-F79 HydrophobicContact CB-CZ 3.88Å
56	V	95	Very high	92.4	Very high	31 Å²	31	51.9 Å²	51.9	19%	0.188	27%	0.268	C	S	.	.			trans	-141.2	169.8	175.6	-62.6	0	0	0	0	109.8	R75 R476	V56-R75 HydrophobicContact CG2-CB 3.99Å; V56-R75 WeakPolarHBondContact O-CB 3.37Å; V56-R75 PolarHBondContact O-N 2.73Å; V56-R476 CarbonylContact C-O 3.57Å; V56-R476 WeakPolarHBondContact CA-O 3.26Å; V56-R476 WeakPolarHBondContact CB-O 3Å
57	D	95.1	Very high	92	Very high	13 Å²	13	53.2 Å²	53.2	7%	0.07	28%	0.277	C	S	.	.			trans	62.6	59.4	176.7	-165.3	58.7	0	0	0	114	S59 A74 R75 Y117 R119 R460 R476	D57-S59 PolarHBondContact O-N 3.26Å; D57-S59 PolarHBondContact O-OG 3.11Å; D57-S59 PolarHBondContact OD2-OG 3.38Å; D57-A74 WeakPolarHBondContact O-CA 3.39Å; D57-R75 HydrophobicContact CB-CB 4.43Å; D57-Y117 HydrophobicContact CB-CD1 4.04Å; D57-Y117 HydrophobicContact CB-CE1 3.91Å; D57-Y117 VanDerWaalsContact OD2-CD1 3.26Å; D57-Y117 WeakPolarHBondContact OD2-CD1 3Å; D57-R119 IonicContact OD2-CZ 2.6Å; D57-R119 IonicContact OD2-NH1 3.89Å; D57-R119 PolarHBondContact OD2-NH1 2.83Å; D57-R119 IonicContact OD2-NH2 3.89Å; D57-R119 PolarHBondContact OD2-NH2 2.08Å; D57-R460 IonicContact OD1-NE 3.03Å; D57-R476 PolarHBondContact N-O 2.94Å
58	F	96.7	Very high	91.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.303	C	S	.	.			trans	-74.2	76	175.6	-61.5	-99.5	0	0	0	109.8	F50 A55 V72 A74 F79 G474 L475 E477 H478 V479	F50-F58 HydrophobicContact CD1-CE1 4.22Å; F50-F58 HydrophobicContact CE1-CE1 4.12Å; A55-F58 HydrophobicContact CB-CE2 4.36Å; A55-F58 HydrophobicContact CB-CZ 3.84Å; F58-V72 HydrophobicContact CB-CG1 4.48Å; F58-V72 HydrophobicContact CD1-CG1 3.64Å; F58-V72 HydrophobicContact CE1-CG1 4.42Å; F58-A74 HydrophobicContact CD1-CB 3.92Å; F58-A74 HydrophobicContact CE1-CB 4.05Å; F58-A74 HydrophobicContact CG-CB 4.23Å; F58-A74 HydrophobicContact CZ-CB 4.42Å; F58-F79 HydrophobicContact CE1-CD2 4.11Å; F58-F79 AromaticContact CE1-CE2 3.79Å; F58-F79 HydrophobicContact CE1-CE2 3.79Å; F58-F79 HydrophobicContact CZ-CE2 4.36Å; F58-G474 CarbonylContact O-C 3.52Å; F58-G474 WeakPolarHBondContact O-CA 3.09Å; F58-L475 WeakPolarHBondContact CB-O 3.19Å; F58-L475 PolarHBondContact N-O 3.23Å; F58-L475 VanDerWaalsContact N-O 3.11Å; F58-E477 VanDerWaalsContact CE2-O 3.26Å; F58-E477 WeakPolarHBondContact CE2-O 3.27Å; F58-H478 VanDerWaalsContact CD2-N 3.31Å; F58-V479 HydrophobicContact CB-CG2 3.76Å; F58-V479 HydrophobicContact CD1-CG2 3.65Å; F58-V479 HydrophobicContact CG-CG2 3.97Å
59	S	94.3	Very high	91.7	Very high	12 Å²	12	54.1 Å²	54.1	8%	0.084	28%	0.284	C	S	.	.			trans	-106.6	-20.3	-167.4	54.3	0	0	0	0	113.7	D57 G73 R119 S461	D57-S59 PolarHBondContact O-N 3.26Å; D57-S59 PolarHBondContact O-OG 3.11Å; D57-S59 PolarHBondContact OD2-OG 3.38Å; S59-G73 PolarHBondContact N-O 3.03Å; S59-R119 PolarHBondContact OG-NH1 2.9Å; S59-S461 WeakPolarHBondContact O-CB 3.32Å
60	Q	96.1	Very high	91.7	Very high	54 Å²	54	51 Å²	51	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.4	178.8	-62.7	-60.4	-42.7	0	0	109.5	G73 I118 R119 L121	Q60-G73 PolarHBondContact N-O 2.68Å; Q60-G73 PolarHBondContact O-N 2.88Å; Q60-I118 HydrophobicContact CB-CG2 4.47Å; Q60-I118 HydrophobicContact CG-CG2 4.47Å; Q60-I118 WeakPolarHBondContact CG-O 3.5Å; Q60-R119 PolarHBondContact NE2-O 2.89Å; Q60-L121 HydrophobicContact CB-CB 3.9Å; Q60-L121 HydrophobicContact CB-CD2 4.09Å
61	L	96.4	Very high	91.7	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144	177.7	-56.1	177.6	0	0	0	107.3	L70 V72 Q463 F472 V479	L61-L70 HydrophobicContact CB-CD1 4.43Å; L61-V72 HydrophobicContact CD2-CB 4.15Å; L61-V72 HydrophobicContact CD2-CG1 3.73Å; L61-V72 HydrophobicContact CD2-CG2 3.71Å; L61-Q463 HydrophobicContact CB-CG 4.39Å; L61-Q463 PolarHBondContact O-NE2 2.81Å; L61-Q463 PolarHBondContact O-OE1 3.42Å; L61-F472 HydrophobicContact CD1-CB 4.12Å; L61-V479 HydrophobicContact CD2-CG1 4.29Å; L61-V479 HydrophobicContact CD2-CG2 3.9Å
62	T	95.1	Very high	91.7	Very high	23 Å²	23	44.9 Å²	44.9	14%	0.141	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.5	169.7	-164.1	0	0	0	0	110	V71 L121 V123 L128	T62-V71 HydrophobicContact CG2-CB 3.83Å; T62-V71 HydrophobicContact CG2-CG1 4.5Å; T62-V71 PolarHBondContact N-O 2.87Å; T62-V71 PolarHBondContact O-N 3.35Å; T62-L121 HydrophobicContact CG2-CD2 3.75Å; T62-L121 HydrophobicContact CG2-CG 3.69Å; T62-V123 HydrophobicContact CG2-CG2 3.76Å; T62-L128 HydrophobicContact CG2-CD1 4.16Å
63	F	93.2	Very high	91.9	Very high	42 Å²	42	43.7 Å²	43.7	18%	0.184	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.5	-178	-56	-70.5	0	0	0	110.1	P65 L70 L83 Q463 L465 F472	F63-P65 VanDerWaalsContact O-CD 3.22Å; F63-P65 WeakPolarHBondContact O-CD 3.37Å; F63-L70 HydrophobicContact CD1-CD1 3.75Å; F63-L70 HydrophobicContact CE1-CD1 3.62Å; F63-L70 HydrophobicContact CZ-CD1 4.49Å; F63-L83 HydrophobicContact CD1-CD2 3.96Å; F63-L83 HydrophobicContact CE1-CD2 4.23Å; F63-Q463 HydrophobicContact CE2-CB 4.09Å; F63-Q463 HydrophobicContact CZ-CB 3.99Å; F63-L465 HydrophobicContact CE1-CB 4.26Å; F63-L465 HydrophobicContact CZ-CB 4.14Å; F63-F472 AromaticContact CE1-CD2 3.53Å; F63-F472 HydrophobicContact CE1-CD2 3.53Å; F63-F472 AromaticContact CE1-CE2 3.57Å; F63-F472 HydrophobicContact CE1-CE2 3.57Å; F63-F472 HydrophobicContact CE1-CG 4.28Å; F63-F472 HydrophobicContact CE1-CZ 4.34Å; F63-F472 AromaticContact CZ-CD2 3.7Å; F63-F472 HydrophobicContact CZ-CD2 3.7Å; F63-F472 HydrophobicContact CZ-CE2 4.11Å; F63-F472 HydrophobicContact CZ-CG 4.5Å
64	D	89.1	Confident	92.2	Very high	8 Å²	8	35 Å²	35	4%	0.043	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	102.8	162.1	179.9	-6.6	0	0	0	108.5	G66 Q67 K68 E69 L145	D64-G66 PolarHBondContact O-N 3.33Å; D64-G66 WeakPolarHBondContact OD1-CA 3.27Å; D64-G66 PolarHBondContact OD1-N 3.23Å; D64-Q67 PolarHBondContact OD1-N 3.27Å; D64-Q67 WeakPolarHBondContact OD2-CB 3.06Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.46Å; D64-K68 PolarHBondContact O-N 3.02Å; D64-K68 VanDerWaalsContact O-N 3.07Å; D64-E69 HydrophobicContact CB-CB 4.27Å; D64-E69 PolarHBondContact N-O 2.81Å; D64-E69 PolarHBondContact O-N 3.49Å; D64-L145 HydrophobicContact CB-CD2 3.9Å; D64-L145 HydrophobicContact CB-CG 4.28Å; D64-L145 WeakPolarHBondContact OD1-CD2 3.34Å; D64-L145 VanDerWaalsContact OD2-CD2 3.22Å; D64-L145 WeakPolarHBondContact OD2-CD2 3.27Å; D64-L145 WeakPolarHBondContact OD2-CG 3.42Å
65	P	75.9	Confident	92.6	Very high	114 Å²	114	32 Å²	32	74%	0.74	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-24	-179.9	28.3	-34.7	0	0	0	112.9	F63	F63-P65 VanDerWaalsContact O-CD 3.22Å; F63-P65 WeakPolarHBondContact O-CD 3.37Å
66	G	79.7	Confident	92.8	Very high	67 Å²	67	32 Å²	32	69%	0.691	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-47.1	-178.5	0	0	0	0	0	112.3	D64	D64-G66 PolarHBondContact O-N 3.33Å; D64-G66 WeakPolarHBondContact OD1-CA 3.27Å; D64-G66 PolarHBondContact OD1-N 3.23Å
67	Q	83.1	Confident	92.9	Very high	90 Å²	90	32.2 Å²	32.2	42%	0.421	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-4	-174.9	-57.4	-168.4	10.5	0	0	114.3	D64 E69	D64-Q67 PolarHBondContact OD1-N 3.27Å; D64-Q67 WeakPolarHBondContact OD2-CB 3.06Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.46Å; Q67-E69 VanDerWaalsContact C-N 3.34Å; Q67-E69 HydrophobicContact CB-CG 3.83Å; Q67-E69 PolarHBondContact OE1-OE1 3.39Å
68	K	88.1	Confident	93	Very high	140 Å²	140	31.6 Å²	31.6	61%	0.609	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	48.7	-172.8	-59.6	-179.5	179.9	178.4	0	111.6	D64 L83	D64-K68 PolarHBondContact O-N 3.02Å; D64-K68 VanDerWaalsContact O-N 3.07Å; K68-L83 VanDerWaalsContact C-CG 3.5Å; K68-L83 HydrophobicContact CB-CD1 3.95Å; K68-L83 WeakPolarHBondContact O-CB 3.2Å; K68-L83 VanDerWaalsContact O-CD1 3.27Å; K68-L83 WeakPolarHBondContact O-CD1 3.21Å; K68-L83 WeakPolarHBondContact O-CG 3.21Å; K68-L83 PolarHBondContact O-N 3.26Å
69	E	93.8	Very high	93.1	Very high	20 Å²	20	31.9 Å²	31.9	9%	0.093	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	154.9	178.8	-60.8	-178	176.7	0	0	111.3	D64 Q67 R80 L81 I89	D64-E69 HydrophobicContact CB-CB 4.27Å; D64-E69 PolarHBondContact N-O 2.81Å; D64-E69 PolarHBondContact O-N 3.49Å; Q67-E69 VanDerWaalsContact C-N 3.34Å; Q67-E69 HydrophobicContact CB-CG 3.83Å; Q67-E69 PolarHBondContact OE1-OE1 3.39Å; E69-R80 VanDerWaalsContact CD-NH2 3.26Å; E69-R80 IonicContact OE1-CZ 2.64Å; E69-R80 IonicContact OE1-NH2 2.71Å; E69-R80 PolarHBondContact OE1-NH2 3.33Å; E69-R80 IonicContact OE2-CZ 3.97Å; E69-R80 IonicContact OE2-NE 3.26Å; E69-R80 PolarHBondContact OE2-NE 2.87Å; E69-R80 IonicContact OE2-NH2 3.1Å; E69-R80 PolarHBondContact OE2-NH2 2.99Å; E69-L81 WeakPolarHBondContact CA-O 3.38Å; E69-I89 HydrophobicContact CG-CD1 3.73Å; E69-I89 WeakPolarHBondContact OE1-CD1 3.5Å
70	L	95.6	Very high	93.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.7	169.4	-178.6	72.3	0	0	0	108.8	L61 F63 V72 L81 L83 L86 F472 V479	L61-L70 HydrophobicContact CB-CD1 4.43Å; F63-L70 HydrophobicContact CD1-CD1 3.75Å; F63-L70 HydrophobicContact CE1-CD1 3.62Å; F63-L70 HydrophobicContact CZ-CD1 4.49Å; L70-V72 HydrophobicContact CD2-CG2 3.78Å; L70-V72 HydrophobicContact CG-CG2 3.78Å; L70-L81 HydrophobicContact CB-CB 4.37Å; L70-L81 HydrophobicContact CD2-CD1 4.39Å; L70-L81 PolarHBondContact N-O 2.98Å; L70-L81 PolarHBondContact O-N 3.39Å; L70-L83 HydrophobicContact CB-CD2 3.84Å; L70-L86 HydrophobicContact CD2-CD2 3.8Å; L70-F472 HydrophobicContact CD2-CD1 3.69Å; L70-F472 HydrophobicContact CD2-CE1 3.97Å; L70-F472 HydrophobicContact CD2-CG 4.42Å; L70-V479 HydrophobicContact CD2-CG1 4.21Å
71	V	96.6	Very high	93.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.5	171.7	-172.9	0	0	0	0	108.9	T62 F79 R80 L121 L128 L145 L148	T62-V71 HydrophobicContact CG2-CB 3.83Å; T62-V71 HydrophobicContact CG2-CG1 4.5Å; T62-V71 PolarHBondContact N-O 2.87Å; T62-V71 PolarHBondContact O-N 3.35Å; V71-F79 CarbonylContact C-O 3.54Å; V71-F79 VanDerWaalsContact CA-O 3.3Å; V71-F79 WeakPolarHBondContact CA-O 3.42Å; V71-R80 HydrophobicContact CG2-CG 4.31Å; V71-L121 HydrophobicContact CG1-CD1 4.21Å; V71-L121 HydrophobicContact CG1-CD2 4.24Å; V71-L128 HydrophobicContact CG1-CD1 4.45Å; V71-L128 HydrophobicContact CG1-CD2 3.93Å; V71-L145 HydrophobicContact CG2-CD1 4.13Å; V71-L148 HydrophobicContact CG1-CD1 4.12Å
72	V	97.5	Very high	93.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.6	-172.6	-179.2	0	0	0	0	110.5	F58 L61 L70 L78 F79 L81 V479	F58-V72 HydrophobicContact CB-CG1 4.48Å; F58-V72 HydrophobicContact CD1-CG1 3.64Å; F58-V72 HydrophobicContact CE1-CG1 4.42Å; L61-V72 HydrophobicContact CD2-CB 4.15Å; L61-V72 HydrophobicContact CD2-CG1 3.73Å; L61-V72 HydrophobicContact CD2-CG2 3.71Å; L70-V72 HydrophobicContact CD2-CG2 3.78Å; L70-V72 HydrophobicContact CG-CG2 3.78Å; V72-L78 CarbonylContact O-C 3.55Å; V72-L78 WeakPolarHBondContact O-CA 2.98Å; V72-F79 HydrophobicContact CB-CB 4.25Å; V72-F79 HydrophobicContact CB-CD2 4.47Å; V72-F79 HydrophobicContact CG1-CD2 4.46Å; V72-F79 PolarHBondContact N-O 2.01Å; V72-F79 PolarHBondContact O-N 3.41Å; V72-L81 HydrophobicContact CG2-CD1 3.78Å; V72-L81 HydrophobicContact CG2-CG 4.37Å; V72-V479 HydrophobicContact CG1-CG2 3.8Å; V72-V479 HydrophobicContact CG2-CG2 4.3Å
73	G	97.2	Very high	92.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120	171.9	0	0	0	0	0	111.2	S59 Q60	S59-G73 PolarHBondContact N-O 3.03Å; Q60-G73 PolarHBondContact N-O 2.68Å; Q60-G73 PolarHBondContact O-N 2.88Å
74	A	97.3	Very high	92.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	175.1	175.7	0	0	0	0	0	110.4	D57 F58 N76 Y77 F79 I118	D57-A74 WeakPolarHBondContact O-CA 3.39Å; F58-A74 HydrophobicContact CD1-CB 3.92Å; F58-A74 HydrophobicContact CE1-CB 4.05Å; F58-A74 HydrophobicContact CG-CB 4.23Å; F58-A74 HydrophobicContact CZ-CB 4.42Å; A74-N76 PolarHBondContact O-N 3.41Å; A74-N76 VanDerWaalsContact O-N 3.14Å; A74-Y77 PolarHBondContact N-O 3.19Å; A74-Y77 PolarHBondContact O-N 3.24Å; A74-F79 HydrophobicContact CB-CE2 3.99Å; A74-I118 VanDerWaalsContact O-CG1 3.26Å; A74-I118 WeakPolarHBondContact O-CG1 3.14Å
75	R	96.7	Very high	92.8	Very high	52 Å²	52	39.9 Å²	39.9	20%	0.196	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-58.9	120.6	171.3	-172.9	-167.3	77	-177.9	-6.3	109.7	N54 V56 D57 Y77 Q115 N116 Y117	N54-R75 PolarHBondContact O-NH2 2.01Å; N54-R75 VanDerWaalsContact O-NH2 3.11Å; V56-R75 HydrophobicContact CG2-CB 3.99Å; V56-R75 WeakPolarHBondContact O-CB 3.37Å; V56-R75 PolarHBondContact O-N 2.73Å; D57-R75 HydrophobicContact CB-CB 4.43Å; R75-Y77 VanDerWaalsContact O-CD2 3.26Å; R75-Y77 WeakPolarHBondContact O-CD2 3.2Å; R75-Y77 PolarHBondContact O-N 3.17Å; R75-Q115 HydrophobicContact CG-CB 3.77Å; R75-Q115 HydrophobicContact CG-CG 4.44Å; R75-N116 CarbonylContact C-O 3.59Å; R75-N116 WeakPolarHBondContact CA-O 3.44Å; R75-Y117 HydrophobicContact CB-CD1 3.93Å; R75-Y117 HydrophobicContact CB-CE1 3.89Å; R75-Y117 HydrophobicContact CG-CD1 3.98Å; R75-Y117 HydrophobicContact CG-CD2 4.38Å; R75-Y117 HydrophobicContact CG-CE1 3.78Å; R75-Y117 HydrophobicContact CG-CE2 4.19Å; R75-Y117 HydrophobicContact CG-CG 4.3Å
76	N	96.9	Very high	93.7	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	4.7	178.9	-64.3	-3.7	0	0	0	115.7	A74 E93 W94 E95 Q115 N116	A74-N76 PolarHBondContact O-N 3.41Å; A74-N76 VanDerWaalsContact O-N 3.14Å; N76-E93 CarbonylContact O-C 3.58Å; N76-E93 WeakPolarHBondContact O-CA 3.28Å; N76-W94 PolarHBondContact O-N 2.86Å; N76-E95 HydrophobicContact CB-CG 3.98Å; N76-E95 PolarHBondContact ND2-OE1 3.45Å; N76-Q115 PolarHBondContact ND2-OE1 3.28Å; N76-N116 PolarHBondContact N-O 2.99Å; N76-N116 PolarHBondContact OD1-N 3Å; N76-N116 PolarHBondContact OD1-O 3.01Å
77	Y	97.2	Very high	94.5	Very high	35 Å²	35	33.3 Å²	33.3	14%	0.137	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.6	-174.8	-65.1	-80.3	0	0	0	113.2	A55 A74 R75 F79 V92 E93	A55-Y77 HydrophobicContact CB-CD2 3.66Å; A55-Y77 HydrophobicContact CB-CE2 4.13Å; A55-Y77 HydrophobicContact CB-CG 4.4Å; A74-Y77 PolarHBondContact N-O 3.19Å; A74-Y77 PolarHBondContact O-N 3.24Å; R75-Y77 VanDerWaalsContact O-CD2 3.26Å; R75-Y77 WeakPolarHBondContact O-CD2 3.2Å; R75-Y77 PolarHBondContact O-N 3.17Å; Y77-F79 VanDerWaalsContact CB-CE2 3.44Å; Y77-F79 HydrophobicContact CD1-CE1 4.49Å; Y77-F79 HydrophobicContact CD1-CZ 4.21Å; Y77-F79 HydrophobicContact CD2-CZ 4.33Å; Y77-F79 HydrophobicContact CG-CE1 4.42Å; Y77-F79 HydrophobicContact CG-CE2 4.26Å; Y77-F79 AromaticContact CG-CZ 3.72Å; Y77-F79 HydrophobicContact CG-CZ 3.72Å; Y77-V92 WeakPolarHBondContact CA-O 2.96Å; Y77-E93 HydrophobicContact CD1-CB 4.02Å; Y77-E93 HydrophobicContact CD1-CG 4.29Å; Y77-E93 HydrophobicContact CE1-CB 3.68Å; Y77-E93 HydrophobicContact CE1-CG 3.68Å; Y77-E93 PolarHBondContact OH-OE1 3.46Å
78	L	97.4	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.8	162.8	-62.3	169.1	0	0	0	108.6	V72 V92 W94 I118 L121 T130 L148	V72-L78 CarbonylContact O-C 3.55Å; V72-L78 WeakPolarHBondContact O-CA 2.98Å; L78-V92 HydrophobicContact CB-CB 4.46Å; L78-V92 PolarHBondContact N-O 3.35Å; L78-V92 PolarHBondContact O-N 3.21Å; L78-W94 HydrophobicContact CD1-CE3 4.2Å; L78-I118 HydrophobicContact CD2-CD1 4.32Å; L78-I118 HydrophobicContact CD2-CG1 4.04Å; L78-I118 HydrophobicContact CD2-CG2 4.17Å; L78-L121 HydrophobicContact CD2-CD1 3.99Å; L78-T130 HydrophobicContact CD1-CG2 4.06Å; L78-L148 HydrophobicContact CB-CD1 3.8Å
79	F	97.1	Very high	95.5	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.022	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.6	177.8	-54.6	-78.8	0	0	0	111	F50 A52 A55 F58 V71 V72 A74 Y77 L81 L88 Q90 A91	F50-F79 HydrophobicContact CE1-CB 4.23Å; F50-F79 AromaticContact CE1-CD1 3.9Å; F50-F79 HydrophobicContact CE1-CD1 3.9Å; F50-F79 AromaticContact CE1-CD2 3.92Å; F50-F79 HydrophobicContact CE1-CD2 3.92Å; F50-F79 HydrophobicContact CE1-CE1 4.21Å; F50-F79 HydrophobicContact CE1-CE2 4.21Å; F50-F79 AromaticContact CE1-CG 3.74Å; F50-F79 HydrophobicContact CE1-CG 3.74Å; F50-F79 HydrophobicContact CE1-CZ 4.36Å; F50-F79 AromaticContact CZ-CD1 3.72Å; F50-F79 HydrophobicContact CZ-CD1 3.72Å; F50-F79 HydrophobicContact CZ-CE1 4Å; F50-F79 HydrophobicContact CZ-CG 4.02Å; A52-F79 HydrophobicContact CB-CE1 3.76Å; A52-F79 HydrophobicContact CB-CE2 4.32Å; A52-F79 HydrophobicContact CB-CZ 3.48Å; A52-F79 VanDerWaalsContact CB-CZ 3.48Å; A55-F79 HydrophobicContact CB-CE2 4.14Å; A55-F79 HydrophobicContact CB-CZ 3.88Å; F58-F79 HydrophobicContact CE1-CD2 4.11Å; F58-F79 AromaticContact CE1-CE2 3.79Å; F58-F79 HydrophobicContact CE1-CE2 3.79Å; F58-F79 HydrophobicContact CZ-CE2 4.36Å; V71-F79 CarbonylContact C-O 3.54Å; V71-F79 VanDerWaalsContact CA-O 3.3Å; V71-F79 WeakPolarHBondContact CA-O 3.42Å; V72-F79 HydrophobicContact CB-CB 4.25Å; V72-F79 HydrophobicContact CB-CD2 4.47Å; V72-F79 HydrophobicContact CG1-CD2 4.46Å; V72-F79 PolarHBondContact N-O 2.01Å; V72-F79 PolarHBondContact O-N 3.41Å; A74-F79 HydrophobicContact CB-CE2 3.99Å; Y77-F79 VanDerWaalsContact CB-CE2 3.44Å; Y77-F79 HydrophobicContact CD1-CE1 4.49Å; Y77-F79 HydrophobicContact CD1-CZ 4.21Å; Y77-F79 HydrophobicContact CD2-CZ 4.33Å; Y77-F79 HydrophobicContact CG-CE1 4.42Å; Y77-F79 HydrophobicContact CG-CE2 4.26Å; Y77-F79 AromaticContact CG-CZ 3.72Å; Y77-F79 HydrophobicContact CG-CZ 3.72Å; F79-L81 HydrophobicContact CB-CD2 4.17Å; F79-L81 HydrophobicContact CB-CG 4.35Å; F79-L88 HydrophobicContact CB-CD1 4.42Å; F79-L88 HydrophobicContact CD1-CD1 3.94Å; F79-Q90 CarbonylContact C-O 3.55Å; F79-Q90 WeakPolarHBondContact CA-O 3.32Å; F79-A91 HydrophobicContact CD1-CB 3.67Å; F79-A91 HydrophobicContact CE1-CB 3.74Å
80	R	96.3	Very high	95.6	Very high	16 Å²	16	31 Å²	31	6%	0.06	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.8	162.7	-70.2	173.7	53.3	-155.4	11.3	108.3	E69 V71 I89 Q90 L145 S146 L148	E69-R80 VanDerWaalsContact CD-NH2 3.26Å; E69-R80 IonicContact OE1-CZ 2.64Å; E69-R80 IonicContact OE1-NH2 2.71Å; E69-R80 PolarHBondContact OE1-NH2 3.33Å; E69-R80 IonicContact OE2-CZ 3.97Å; E69-R80 IonicContact OE2-NE 3.26Å; E69-R80 PolarHBondContact OE2-NE 2.87Å; E69-R80 IonicContact OE2-NH2 3.1Å; E69-R80 PolarHBondContact OE2-NH2 2.99Å; V71-R80 HydrophobicContact CG2-CG 4.31Å; R80-I89 HydrophobicContact CB-CB 4.14Å; R80-I89 WeakPolarHBondContact O-CB 3.31Å; R80-I89 PolarHBondContact O-N 2.98Å; R80-Q90 HydrophobicContact CB-CB 4.12Å; R80-Q90 HydrophobicContact CG-CB 4.49Å; R80-Q90 PolarHBondContact N-O 2.65Å; R80-Q90 PolarHBondContact O-N 3.31Å; R80-L145 PolarHBondContact NE-O 2.83Å; R80-S146 VanDerWaalsContact NH1-C 3.28Å; R80-S146 PolarHBondContact NH1-O 2.71Å; R80-L148 HydrophobicContact CG-CD1 3.66Å; R80-L148 HydrophobicContact CG-CD2 4.43Å; R80-L148 HydrophobicContact CG-CG 3.86Å
81	L	96.4	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145	-176.7	-52.4	178.1	0	0	0	109.6	F50 E69 L70 V72 F79 L86 S87 L88	F50-L81 HydrophobicContact CB-CD1 3.83Å; F50-L81 HydrophobicContact CD1-CD1 3.6Å; F50-L81 HydrophobicContact CD1-CD2 3.91Å; F50-L81 HydrophobicContact CD1-CG 4.39Å; F50-L81 HydrophobicContact CD2-CD1 4.36Å; F50-L81 HydrophobicContact CD2-CD2 3.62Å; F50-L81 HydrophobicContact CE1-CD1 4.26Å; F50-L81 HydrophobicContact CE1-CD2 3.92Å; F50-L81 HydrophobicContact CE2-CD2 3.67Å; F50-L81 HydrophobicContact CG-CD1 3.65Å; F50-L81 HydrophobicContact CG-CD2 3.76Å; F50-L81 HydrophobicContact CG-CG 4.39Å; F50-L81 HydrophobicContact CZ-CD2 3.8Å; E69-L81 WeakPolarHBondContact CA-O 3.38Å; L70-L81 HydrophobicContact CB-CB 4.37Å; L70-L81 HydrophobicContact CD2-CD1 4.39Å; L70-L81 PolarHBondContact N-O 2.98Å; L70-L81 PolarHBondContact O-N 3.39Å; V72-L81 HydrophobicContact CG2-CD1 3.78Å; V72-L81 HydrophobicContact CG2-CG 4.37Å; F79-L81 HydrophobicContact CB-CD2 4.17Å; F79-L81 HydrophobicContact CB-CG 4.35Å; L81-L86 HydrophobicContact CB-CD2 4.41Å; L81-L86 HydrophobicContact CD1-CD2 4.2Å; L81-S87 CarbonylContact C-O 3.5Å; L81-S87 VanDerWaalsContact CA-O 3.23Å; L81-S87 WeakPolarHBondContact CA-O 3.49Å; L81-L88 HydrophobicContact CD2-CB 4.42Å; L81-L88 HydrophobicContact CD2-CD1 3.83Å
82	Q	94.6	Very high	95.6	Very high	77 Å²	77	34.3 Å²	34.3	36%	0.36	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.1	171.3	-167.7	169.2	4.4	0	0	109.8	E84 L86 S87 I89	Q82-E84 HydrophobicContact CG-CB 4.48Å; Q82-E84 PolarHBondContact O-N 3Å; Q82-L86 VanDerWaalsContact O-CA 3.25Å; Q82-L86 WeakPolarHBondContact O-CA 3.41Å; Q82-L86 PolarHBondContact O-N 2.82Å; Q82-S87 WeakPolarHBondContact CB-OG 3.4Å; Q82-S87 PolarHBondContact N-O 2.66Å; Q82-S87 PolarHBondContact OE1-OG 2.89Å; Q82-I89 HydrophobicContact CB-CD1 4.17Å; Q82-I89 HydrophobicContact CB-CG1 4.43Å
83	L	92	Very high	95.5	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.042	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.6	-177.6	-79.7	174.4	0	0	0	113.7	F63 K68 L70 L465 F472 K481	F63-L83 HydrophobicContact CD1-CD2 3.96Å; F63-L83 HydrophobicContact CE1-CD2 4.23Å; K68-L83 VanDerWaalsContact C-CG 3.5Å; K68-L83 HydrophobicContact CB-CD1 3.95Å; K68-L83 WeakPolarHBondContact O-CB 3.2Å; K68-L83 VanDerWaalsContact O-CD1 3.27Å; K68-L83 WeakPolarHBondContact O-CD1 3.21Å; K68-L83 WeakPolarHBondContact O-CG 3.21Å; K68-L83 PolarHBondContact O-N 3.26Å; L70-L83 HydrophobicContact CB-CD2 3.84Å; L83-L465 HydrophobicContact CD1-CD2 4.16Å; L83-L465 HydrophobicContact CD2-CD2 4.43Å; L83-F472 HydrophobicContact CD2-CE1 4.29Å; L83-F472 HydrophobicContact CD2-CE2 4.2Å; L83-F472 HydrophobicContact CD2-CZ 3.63Å; L83-K481 PolarHBondContact O-NZ 2.91Å
84	E	88.5	Confident	95.5	Very high	135 Å²	135	41.1 Å²	41.1	63%	0.631	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-51.1	-172.2	-69.4	-179.6	-173.5	0	0	112.9	Q82 K481	Q82-E84 HydrophobicContact CG-CB 4.48Å; Q82-E84 PolarHBondContact O-N 3Å; E84-K481 PolarHBondContact O-NZ 2.85Å
85	D	91.5	Very high	95.3	Very high	75 Å²	75	45 Å²	45	40%	0.401	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-0.8	-172.6	66.8	-14.2	0	0	0	114.1	S87	D85-S87 PolarHBondContact O-N 2.93Å; D85-S87 WeakPolarHBondContact OD1-CB 3.46Å; D85-S87 PolarHBondContact OD1-N 3.17Å; D85-S87 PolarHBondContact OD1-OG 2.03Å; D85-S87 WeakPolarHBondContact OD2-CB 2.96Å; D85-S87 PolarHBondContact OD2-OG 2.78Å
86	L	94.9	Very high	95.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.218	C	C	.	.			trans	60.8	26.6	-170.4	-60.8	-179.6	0	0	0	113.8	R48 F50 L70 L81 Q82 F472 V479 K481	R48-L86 HydrophobicContact CB-CD1 4.49Å; R48-L86 WeakPolarHBondContact O-CD1 3.01Å; F50-L86 HydrophobicContact CB-CB 4.04Å; F50-L86 HydrophobicContact CB-CD1 4.39Å; L70-L86 HydrophobicContact CD2-CD2 3.8Å; L81-L86 HydrophobicContact CB-CD2 4.41Å; L81-L86 HydrophobicContact CD1-CD2 4.2Å; Q82-L86 VanDerWaalsContact O-CA 3.25Å; Q82-L86 WeakPolarHBondContact O-CA 3.41Å; Q82-L86 PolarHBondContact O-N 2.82Å; L86-F472 HydrophobicContact CD2-CD1 4.19Å; L86-F472 HydrophobicContact CD2-CE1 3.78Å; L86-V479 HydrophobicContact CD1-CG1 4.45Å; L86-K481 HydrophobicContact CD1-CB 3.69Å; L86-K481 HydrophobicContact CG-CB 4.03Å
87	S	95.8	Very high	95.1	Very high	39 Å²	39	46.2 Å²	46.2	27%	0.273	24%	0.237	S	C	.	.			trans	-64.7	145.9	171.7	59.8	0	0	0	0	111.5	L81 Q82 D85 I89	L81-S87 CarbonylContact C-O 3.5Å; L81-S87 VanDerWaalsContact CA-O 3.23Å; L81-S87 WeakPolarHBondContact CA-O 3.49Å; Q82-S87 WeakPolarHBondContact CB-OG 3.4Å; Q82-S87 PolarHBondContact N-O 2.66Å; Q82-S87 PolarHBondContact OE1-OG 2.89Å; D85-S87 PolarHBondContact O-N 2.93Å; D85-S87 WeakPolarHBondContact OD1-CB 3.46Å; D85-S87 PolarHBondContact OD1-N 3.17Å; D85-S87 PolarHBondContact OD1-OG 2.03Å; D85-S87 WeakPolarHBondContact OD2-CB 2.96Å; D85-S87 PolarHBondContact OD2-OG 2.78Å; S87-I89 PolarHBondContact O-N 3.23Å
88	L	96.6	Very high	95	Very high	90 Å²	90	49.9 Å²	49.9	47%	0.471	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	121	-178.1	-178.3	64.8	0	0	0	110.9	F50 F79 L81 Q90 A91	F50-L88 HydrophobicContact CE2-CB 4Å; F50-L88 HydrophobicContact CE2-CD1 4.02Å; F50-L88 HydrophobicContact CE2-CG 4.42Å; F50-L88 HydrophobicContact CZ-CD1 3.92Å; F79-L88 HydrophobicContact CB-CD1 4.42Å; F79-L88 HydrophobicContact CD1-CD1 3.94Å; L81-L88 HydrophobicContact CD2-CB 4.42Å; L81-L88 HydrophobicContact CD2-CD1 3.83Å; L88-Q90 WeakPolarHBondContact CD1-O 3.32Å; L88-A91 HydrophobicContact CD1-CB 4.16Å; L88-A91 HydrophobicContact CD2-CB 4.21Å
89	I	95.7	Very high	94.9	Very high	77 Å²	77	53.2 Å²	53.2	40%	0.395	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-49	171.1	-58.5	173.9	0	0	0	109.5	E69 R80 Q82 S87	E69-I89 HydrophobicContact CG-CD1 3.73Å; E69-I89 WeakPolarHBondContact OE1-CD1 3.5Å; R80-I89 HydrophobicContact CB-CB 4.14Å; R80-I89 WeakPolarHBondContact O-CB 3.31Å; R80-I89 PolarHBondContact O-N 2.98Å; Q82-I89 HydrophobicContact CB-CD1 4.17Å; Q82-I89 HydrophobicContact CB-CG1 4.43Å; S87-I89 PolarHBondContact O-N 3.23Å
90	Q	96	Very high	94.8	Very high	35 Å²	35	54.1 Å²	54.1	16%	0.164	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	137.7	-177.7	-171.1	177.1	24.5	0	0	111	F79 R80 L88 V92 N147 T149	F79-Q90 CarbonylContact C-O 3.55Å; F79-Q90 WeakPolarHBondContact CA-O 3.32Å; R80-Q90 HydrophobicContact CB-CB 4.12Å; R80-Q90 HydrophobicContact CG-CB 4.49Å; R80-Q90 PolarHBondContact N-O 2.65Å; R80-Q90 PolarHBondContact O-N 3.31Å; L88-Q90 WeakPolarHBondContact CD1-O 3.32Å; Q90-V92 HydrophobicContact CG-CG2 4.06Å; Q90-N147 PolarHBondContact NE2-OD1 2.87Å; Q90-T149 PolarHBondContact NE2-OG1 2.97Å; Q90-T149 VanDerWaalsContact NE2-OG1 3.17Å
91	A	96.2	Very high	94.8	Very high	54 Å²	54	54 Å²	54	45%	0.446	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.6	167.6	0	0	0	0	0	109.1	F79 L88	F79-A91 HydrophobicContact CD1-CB 3.67Å; F79-A91 HydrophobicContact CE1-CB 3.74Å; L88-A91 HydrophobicContact CD1-CB 4.16Å; L88-A91 HydrophobicContact CD2-CB 4.21Å
92	V	96.5	Very high	94.7	Very high	14 Å²	14	60.6 Å²	60.6	9%	0.085	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.7	176.1	178.6	0	0	0	0	108.8	Y77 L78 Q90 L148	Y77-V92 WeakPolarHBondContact CA-O 2.96Å; L78-V92 HydrophobicContact CB-CB 4.46Å; L78-V92 PolarHBondContact N-O 3.35Å; L78-V92 PolarHBondContact O-N 3.21Å; Q90-V92 HydrophobicContact CG-CG2 4.06Å; V92-L148 HydrophobicContact CB-CB 4.42Å; V92-L148 HydrophobicContact CG2-CB 3.73Å
93	E	95.8	Very high	94.7	Very high	116 Å²	116	58.9 Å²	58.9	54%	0.542	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.9	173.1	-172.9	162.7	-135.1	0	0	109.9	N76 Y77 E95	N76-E93 CarbonylContact O-C 3.58Å; N76-E93 WeakPolarHBondContact O-CA 3.28Å; Y77-E93 HydrophobicContact CD1-CB 4.02Å; Y77-E93 HydrophobicContact CD1-CG 4.29Å; Y77-E93 HydrophobicContact CE1-CB 3.68Å; Y77-E93 HydrophobicContact CE1-CG 3.68Å; Y77-E93 PolarHBondContact OH-OE1 3.46Å; E93-E95 HydrophobicContact CG-CG 3.76Å
94	W	95.2	Very high	94.9	Very high	28 Å²	28	58.5 Å²	58.5	11%	0.106	31%	0.314	C	S	.	.			trans	-134.9	67.4	179	-169.1	22.7	0	0	0	109.9	N76 L78 N116 I118 T130 V139 T141 R143	N76-W94 PolarHBondContact O-N 2.86Å; L78-W94 HydrophobicContact CD1-CE3 4.2Å; W94-N116 WeakPolarHBondContact O-CB 3.39Å; W94-N116 PolarHBondContact O-ND2 3.32Å; W94-I118 HydrophobicContact CD2-CD1 4.44Å; W94-I118 HydrophobicContact CE3-CD1 3.37Å; W94-I118 HydrophobicContact CZ3-CD1 3.55Å; W94-T130 HydrophobicContact CE3-CG2 4.49Å; W94-T130 HydrophobicContact CH2-CG2 4.33Å; W94-T130 HydrophobicContact CZ3-CG2 3.76Å; W94-V139 HydrophobicContact CZ2-CB 4.4Å; W94-V139 HydrophobicContact CZ2-CG1 4.1Å; W94-T141 HydrophobicContact CH2-CG2 4.05Å; W94-T141 HydrophobicContact CZ2-CG2 3.61Å; W94-R143 VanDerWaalsContact CD2-NH2 3.3Å
95	E	94.4	Very high	95.2	Very high	80 Å²	80	56.3 Å²	56.3	37%	0.374	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-75.7	156.6	174.7	-58.1	-142.4	140.4	0	0	112.5	N76 E93 K101	N76-E95 HydrophobicContact CB-CG 3.98Å; N76-E95 PolarHBondContact ND2-OE1 3.45Å; E93-E95 HydrophobicContact CG-CG 3.76Å; E95-K101 IonicContact OE2-NZ 3.83Å; E95-K101 PolarHBondContact OE2-NZ 3.39Å
96	C	94.2	Very high	95.4	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.027	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-73.1	146.8	165.1	51.3	0	0	0	0	110.9	K101 N134 A135	C96-K101 HydrophobicContact CB-CG 4.37Å; C96-K101 WeakPolarHBondContact O-CE 3.39Å; C96-K101 WeakPolarHBondContact SG-CE 3Å; C96-K101 WeakPolarHBondContact SG-CG 3.44Å; C96-N134 WeakPolarHBondContact CA-OD1 3.03Å; C96-N134 WeakPolarHBondContact CB-OD1 3.49Å; C96-A135 HydrophobicContact CB-CB 4.21Å
97	D	94.2	Very high	95.4	Very high	79 Å²	79	62.1 Å²	62.1	42%	0.422	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-66	153.7	176.6	64.3	-68.8	0	0	0	112.1	A99 T100 K101	D97-A99 PolarHBondContact O-N 2.85Å; D97-A99 WeakPolarHBondContact OD2-CB 3.04Å; D97-A99 PolarHBondContact OD2-N 3.28Å; D97-T100 PolarHBondContact O-N 2.01Å; D97-T100 WeakPolarHBondContact OD1-CB 3.32Å; D97-T100 PolarHBondContact OD1-OG1 3.01Å; D97-T100 PolarHBondContact OD2-N 2.8Å; D97-T100 PolarHBondContact OD2-OG1 2.84Å; D97-T100 VanDerWaalsContact OD2-OG1 3.06Å; D97-K101 PolarHBondContact O-N 3.08Å
98	E	94.8	Very high	95.3	Very high	112 Å²	112	63.5 Å²	63.5	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-63.5	-27.9	-176.3	-74.7	-60.1	136.5	0	0	113.4	K101 K102	E98-K101 WeakPolarHBondContact OE1-CD 2.9Å; E98-K101 IonicContact OE1-NZ 3.06Å; E98-K101 PolarHBondContact OE1-NZ 3.13Å; E98-K101 VanDerWaalsContact OE1-NZ 3.14Å; E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 VanDerWaalsContact O-CG 3.26Å; E98-K102 WeakPolarHBondContact O-CG 3.45Å; E98-K102 PolarHBondContact O-N 2.87Å
99	A	96	Very high	95.1	Very high	69 Å²	69	62 Å²	62	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-69.8	-44.4	175.6	0	0	0	0	0	110.7	D97 K102 A103	D97-A99 PolarHBondContact O-N 2.85Å; D97-A99 WeakPolarHBondContact OD2-CB 3.04Å; D97-A99 PolarHBondContact OD2-N 3.28Å; A99-K102 PolarHBondContact O-N 3.33Å; A99-A103 WeakPolarHBondContact O-CB 3.39Å; A99-A103 PolarHBondContact O-N 2.85Å
100	T	95.5	Very high	95.1	Very high	24 Å²	24	60.8 Å²	60.8	15%	0.147	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-42.4	173.9	-61.6	0	0	0	0	112.5	D97 K102 A103 C104 A135 T137	D97-T100 PolarHBondContact O-N 2.01Å; D97-T100 WeakPolarHBondContact OD1-CB 3.32Å; D97-T100 PolarHBondContact OD1-OG1 3.01Å; D97-T100 PolarHBondContact OD2-N 2.8Å; D97-T100 PolarHBondContact OD2-OG1 2.84Å; D97-T100 VanDerWaalsContact OD2-OG1 3.06Å; T100-K102 PolarHBondContact O-N 2.84Å; T100-A103 PolarHBondContact O-N 2.65Å; T100-C104 WeakPolarHBondContact O-CB 3.26Å; T100-C104 PolarHBondContact O-N 2.93Å; T100-A135 HydrophobicContact CG2-CB 4.1Å; T100-T137 HydrophobicContact CG2-CG2 4.08Å; T100-T137 WeakPolarHBondContact CG2-OG1 3.22Å
101	K	95.2	Very high	94.9	Very high	14 Å²	14	66.8 Å²	66.8	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-56.7	-48.7	173.5	-72.7	179.3	-173.9	163.6	0	111.2	E95 C96 D97 E98 A103 C104 Y105	E95-K101 IonicContact OE2-NZ 3.83Å; E95-K101 PolarHBondContact OE2-NZ 3.39Å; C96-K101 HydrophobicContact CB-CG 4.37Å; C96-K101 WeakPolarHBondContact O-CE 3.39Å; C96-K101 WeakPolarHBondContact SG-CE 3Å; C96-K101 WeakPolarHBondContact SG-CG 3.44Å; D97-K101 PolarHBondContact O-N 3.08Å; E98-K101 WeakPolarHBondContact OE1-CD 2.9Å; E98-K101 IonicContact OE1-NZ 3.06Å; E98-K101 PolarHBondContact OE1-NZ 3.13Å; E98-K101 VanDerWaalsContact OE1-NZ 3.14Å; K101-A103 PolarHBondContact O-N 2.68Å; K101-C104 WeakPolarHBondContact O-CB 2.98Å; K101-C104 PolarHBondContact O-N 3.08Å; K101-Y105 HydrophobicContact CB-CE2 4.33Å; K101-Y105 WeakPolarHBondContact O-CD2 3.36Å; K101-Y105 PolarHBondContact O-N 2.8Å
102	K	95.2	Very high	94.8	Very high	139 Å²	139	70 Å²	70	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-62.5	-40.5	177	-74	174.1	-176.1	178.2	0	112.5	E98 A99 T100 C104 Y105 S106	E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 VanDerWaalsContact O-CG 3.26Å; E98-K102 WeakPolarHBondContact O-CG 3.45Å; E98-K102 PolarHBondContact O-N 2.87Å; A99-K102 PolarHBondContact O-N 3.33Å; T100-K102 PolarHBondContact O-N 2.84Å; K102-C104 VanDerWaalsContact C-N 3.32Å; K102-C104 PolarHBondContact O-N 3.48Å; K102-Y105 PolarHBondContact O-N 2.8Å; K102-S106 PolarHBondContact O-N 2.81Å
103	A	95.4	Very high	94.6	Very high	40 Å²	40	71.1 Å²	71.1	33%	0.331	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175.1	0	0	0	0	0	111.4	A99 T100 K101 S106 K107	A99-A103 WeakPolarHBondContact O-CB 3.39Å; A99-A103 PolarHBondContact O-N 2.85Å; T100-A103 PolarHBondContact O-N 2.65Å; K101-A103 PolarHBondContact O-N 2.68Å; A103-S106 PolarHBondContact O-N 3.3Å; A103-S106 PolarHBondContact O-OG 2.71Å; A103-K107 WeakPolarHBondContact O-CG 3.43Å; A103-K107 PolarHBondContact O-N 3.43Å
104	C	95.5	Very high	94.6	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.007	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-42.5	174.3	179.5	0	0	0	0	112.4	T100 K101 K102 S106 K107 K109 C114 A135 F136	T100-C104 WeakPolarHBondContact O-CB 3.26Å; T100-C104 PolarHBondContact O-N 2.93Å; K101-C104 WeakPolarHBondContact O-CB 2.98Å; K101-C104 PolarHBondContact O-N 3.08Å; K102-C104 VanDerWaalsContact C-N 3.32Å; K102-C104 PolarHBondContact O-N 3.48Å; C104-S106 VanDerWaalsContact C-N 3.33Å; C104-S106 PolarHBondContact O-N 3.48Å; C104-K107 WeakPolarHBondContact O-CB 3.4Å; C104-K107 PolarHBondContact O-N 2.86Å; C104-K107 VanDerWaalsContact O-N 3.07Å; C104-K109 PolarHBondContact O-N 3.34Å; C104-C114 VanDerWaalsContact C-SG 3.55Å; C104-C114 HydrophobicContact CB-CB 3.66Å; C104-C114 WeakPolarHBondContact CB-SG 3.21Å; C104-C114 WeakPolarHBondContact SG-CA 3.24Å; C104-C114 WeakPolarHBondContact SG-CB 3.28Å; C104-C114 CovalentContact SG-SG 2.03Å; C104-C114 PolarHBondContact SG-SG 3.49Å; C104-A135 HydrophobicContact CB-CB 3.92Å; C104-A135 WeakPolarHBondContact CB-O 3.2Å; C104-F136 VanDerWaalsContact SG-CD2 3.52Å
105	Y	95.5	Very high	94.7	Very high	88 Å²	88	65.1 Å²	65.1	35%	0.345	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-40.3	173.7	-60.2	-33.2	0	0	0	112.7	K101 K102 K107 G108 K111 C114	K101-Y105 HydrophobicContact CB-CE2 4.33Å; K101-Y105 WeakPolarHBondContact O-CD2 3.36Å; K101-Y105 PolarHBondContact O-N 2.8Å; K102-Y105 PolarHBondContact O-N 2.8Å; Y105-K107 PolarHBondContact O-N 2.87Å; Y105-G108 PolarHBondContact O-N 2.86Å; Y105-K111 HydrophobicContact CE1-CB 4.39Å; Y105-C114 HydrophobicContact CD1-CB 4Å; Y105-C114 WeakPolarHBondContact CD1-SG 3.48Å; Y105-C114 HydrophobicContact CE1-CB 3.41Å; Y105-C114 VanDerWaalsContact CE1-CB 3.41Å; Y105-C114 VanDerWaalsContact CE1-SG 3.52Å
106	S	95.2	Very high	94.8	Very high	101 Å²	101	61.3 Å²	61.3	71%	0.706	34%	0.335	S	S	*	.	H	α-helix	trans	-63.5	-21.2	176.2	75.7	0	0	0	0	113.3	K102 A103 C104 G108	K102-S106 PolarHBondContact O-N 2.81Å; A103-S106 PolarHBondContact O-N 3.3Å; A103-S106 PolarHBondContact O-OG 2.71Å; C104-S106 VanDerWaalsContact C-N 3.33Å; C104-S106 PolarHBondContact O-N 3.48Å; S106-G108 VanDerWaalsContact C-N 3.3Å
107	K	93.6	Very high	95	Very high	100 Å²	100	62.2 Å²	62.2	44%	0.435	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	7.1	173.4	-63.5	173.5	-174.8	174.3	0	113.5	A103 C104 Y105 F187	A103-K107 WeakPolarHBondContact O-CG 3.43Å; A103-K107 PolarHBondContact O-N 3.43Å; C104-K107 WeakPolarHBondContact O-CB 3.4Å; C104-K107 PolarHBondContact O-N 2.86Å; C104-K107 VanDerWaalsContact O-N 3.07Å; Y105-K107 PolarHBondContact O-N 2.87Å; K107-F187 HydrophobicContact CB-CE2 4.29Å; K107-F187 HydrophobicContact CB-CZ 3.81Å; K107-F187 HydrophobicContact CD-CD2 4.1Å; K107-F187 HydrophobicContact CD-CE2 3.61Å; K107-F187 HydrophobicContact CD-CZ 3.91Å; K107-F187 HydrophobicContact CG-CZ 4.44Å
108	G	93.8	Very high	95.1	Very high	69 Å²	69	58.5 Å²	58.5	71%	0.711	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	20.1	175.8	0	0	0	0	0	115	Y105 S106	Y105-G108 PolarHBondContact O-N 2.86Å; S106-G108 VanDerWaalsContact C-N 3.3Å
109	K	94.1	Very high	95.2	Very high	58 Å²	58	55 Å²	55	25%	0.252	30%	0.3	S	S	.	.			trans	-93.9	153	178	-64.2	-61.6	-170.9	170.8	0	111.8	C104 E113 C114 F136 F187	C104-K109 PolarHBondContact O-N 3.34Å; K109-E113 IonicContact NZ-OE1 3.03Å; K109-C114 VanDerWaalsContact CB-SG 3.52Å; K109-F136 HydrophobicContact CB-CE2 3.99Å; K109-F136 HydrophobicContact CD-CE1 4.14Å; K109-F136 HydrophobicContact CD-CE2 3.89Å; K109-F136 HydrophobicContact CD-CZ 3.57Å; K109-F136 VanDerWaalsContact CE-CE1 3.48Å; K109-F136 VanDerWaalsContact CE-CZ 3.44Å; K109-F136 HydrophobicContact CG-CD2 4.11Å; K109-F136 HydrophobicContact CG-CE1 4.41Å; K109-F136 HydrophobicContact CG-CE2 3.65Å; K109-F136 HydrophobicContact CG-CZ 3.84Å; K109-F187 HydrophobicContact CD-CZ 4.36Å; K109-F187 HydrophobicContact CG-CE2 4.42Å; K109-F187 HydrophobicContact CG-CZ 3.92Å
110	S	94.5	Very high	95.3	Very high	52 Å²	52	52 Å²	52	36%	0.364	27%	0.274	S	S	.	.			trans	-77.4	163.5	-175.7	66.2	0	0	0	0	113.4	E112 E113 C114	S110-E112 PolarHBondContact O-N 3.12Å; S110-E113 WeakPolarHBondContact CB-OE2 3.32Å; S110-E113 PolarHBondContact N-OE2 2.81Å; S110-E113 PolarHBondContact O-N 3.12Å; S110-E113 VanDerWaalsContact OG-CG 3.23Å; S110-E113 WeakPolarHBondContact OG-CG 3.49Å; S110-E113 PolarHBondContact OG-N 3.31Å; S110-E113 PolarHBondContact OG-OE2 2.89Å; S110-C114 WeakPolarHBondContact O-CB 3.48Å; S110-C114 PolarHBondContact O-N 2.81Å; S110-C114 PolarHBondContact O-SG 3.4Å
111	K	92.6	Very high	95.3	Very high	160 Å²	160	51.1 Å²	51.1	70%	0.696	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-36.3	173	-174.4	174.2	179.5	-178.4	0	113	Y105 Q115	Y105-K111 HydrophobicContact CE1-CB 4.39Å; K111-Q115 PolarHBondContact O-NE2 3.33Å
112	E	92.7	Very high	95.4	Very high	121 Å²	121	52.1 Å²	52.1	57%	0.565	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-42.7	179.2	-64.9	-170	174.1	0	0	111.7	S110 Q115 Y117	S110-E112 PolarHBondContact O-N 3.12Å; E112-Q115 WeakPolarHBondContact O-CG 3.36Å; E112-Y117 VanDerWaalsContact O-CE2 3.28Å; E112-Y117 WeakPolarHBondContact O-CE2 3.19Å; E112-Y117 PolarHBondContact O-OH 2.91Å
113	E	93.4	Very high	95.3	Very high	39 Å²	39	47.5 Å²	47.5	18%	0.182	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-32	179.9	-61.9	165.5	110.6	0	0	112.9	K109 S110 Q115 F136	K109-E113 IonicContact NZ-OE1 3.03Å; S110-E113 WeakPolarHBondContact CB-OE2 3.32Å; S110-E113 PolarHBondContact N-OE2 2.81Å; S110-E113 PolarHBondContact O-N 3.12Å; S110-E113 VanDerWaalsContact OG-CG 3.23Å; S110-E113 WeakPolarHBondContact OG-CG 3.49Å; S110-E113 PolarHBondContact OG-N 3.31Å; S110-E113 PolarHBondContact OG-OE2 2.89Å; E113-Q115 PolarHBondContact O-N 2.75Å; E113-F136 HydrophobicContact CB-CE2 3.72Å; E113-F136 HydrophobicContact CB-CZ 4.12Å
114	C	96.3	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-80.1	57.1	178.2	-59.7	0	0	0	0	112.3	C104 Y105 K109 S110 A135	C104-C114 VanDerWaalsContact C-SG 3.55Å; C104-C114 HydrophobicContact CB-CB 3.66Å; C104-C114 WeakPolarHBondContact CB-SG 3.21Å; C104-C114 WeakPolarHBondContact SG-CA 3.24Å; C104-C114 WeakPolarHBondContact SG-CB 3.28Å; C104-C114 CovalentContact SG-SG 2.03Å; C104-C114 PolarHBondContact SG-SG 3.49Å; Y105-C114 HydrophobicContact CD1-CB 4Å; Y105-C114 WeakPolarHBondContact CD1-SG 3.48Å; Y105-C114 HydrophobicContact CE1-CB 3.41Å; Y105-C114 VanDerWaalsContact CE1-CB 3.41Å; Y105-C114 VanDerWaalsContact CE1-SG 3.52Å; K109-C114 VanDerWaalsContact CB-SG 3.52Å; S110-C114 WeakPolarHBondContact O-CB 3.48Å; S110-C114 PolarHBondContact O-N 2.81Å; S110-C114 PolarHBondContact O-SG 3.4Å; C114-A135 HydrophobicContact CB-CB 4.1Å
115	Q	96.2	Very high	94.5	Very high	17 Å²	17	50.4 Å²	50.4	8%	0.079	29%	0.292	C	S	.	.	S	Bend	trans	-130.2	171.3	174.3	-57.6	-61.9	-33.1	0	0	109.4	R75 N76 K111 E112 E113 Y117 T133 A135	R75-Q115 HydrophobicContact CG-CB 3.77Å; R75-Q115 HydrophobicContact CG-CG 4.44Å; N76-Q115 PolarHBondContact ND2-OE1 3.28Å; K111-Q115 PolarHBondContact O-NE2 3.33Å; E112-Q115 WeakPolarHBondContact O-CG 3.36Å; E113-Q115 PolarHBondContact O-N 2.75Å; Q115-Y117 HydrophobicContact CB-CD2 4.2Å; Q115-Y117 HydrophobicContact CB-CE2 3.79Å; Q115-Y117 PolarHBondContact O-N 3.14Å; Q115-T133 PolarHBondContact O-OG1 2.02Å; Q115-A135 PolarHBondContact O-N 2.87Å
116	N	97.2	Very high	94.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.306	C	S	.	.			trans	-91.3	100.5	173.9	-171.6	22.9	0	0	0	110.5	R75 N76 W94 G132 T133 N134	R75-N116 CarbonylContact C-O 3.59Å; R75-N116 WeakPolarHBondContact CA-O 3.44Å; N76-N116 PolarHBondContact N-O 2.99Å; N76-N116 PolarHBondContact OD1-N 3Å; N76-N116 PolarHBondContact OD1-O 3.01Å; W94-N116 WeakPolarHBondContact O-CB 3.39Å; W94-N116 PolarHBondContact O-ND2 3.32Å; N116-G132 VanDerWaalsContact OD1-C 3.24Å; N116-G132 WeakPolarHBondContact OD1-CA 3.32Å; N116-T133 PolarHBondContact OD1-N 2.65Å; N116-N134 WeakPolarHBondContact OD1-CA 3.33Å; N116-N134 PolarHBondContact OD1-N 3.49Å
117	Y	97.5	Very high	94.1	Very high	24 Å²	24	51.7 Å²	51.7	9%	0.094	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-93.5	117.5	175.8	-71.8	-93.2	0	0	0	109.9	D57 R75 E112 Q115 R119 G132 T133 P165	D57-Y117 HydrophobicContact CB-CD1 4.04Å; D57-Y117 HydrophobicContact CB-CE1 3.91Å; D57-Y117 VanDerWaalsContact OD2-CD1 3.26Å; D57-Y117 WeakPolarHBondContact OD2-CD1 3Å; R75-Y117 HydrophobicContact CB-CD1 3.93Å; R75-Y117 HydrophobicContact CB-CE1 3.89Å; R75-Y117 HydrophobicContact CG-CD1 3.98Å; R75-Y117 HydrophobicContact CG-CD2 4.38Å; R75-Y117 HydrophobicContact CG-CE1 3.78Å; R75-Y117 HydrophobicContact CG-CE2 4.19Å; R75-Y117 HydrophobicContact CG-CG 4.3Å; E112-Y117 VanDerWaalsContact O-CE2 3.28Å; E112-Y117 WeakPolarHBondContact O-CE2 3.19Å; E112-Y117 PolarHBondContact O-OH 2.91Å; Q115-Y117 HydrophobicContact CB-CD2 4.2Å; Q115-Y117 HydrophobicContact CB-CE2 3.79Å; Q115-Y117 PolarHBondContact O-N 3.14Å; Y117-R119 PolarHBondContact O-N 2.72Å; Y117-G132 CarbonylContact O-C 3.59Å; Y117-G132 WeakPolarHBondContact O-CA 3.39Å; Y117-T133 PolarHBondContact N-OG1 2.75Å; Y117-T133 PolarHBondContact O-N 3.45Å; Y117-P165 HydrophobicContact CD1-CB 4.01Å; Y117-P165 HydrophobicContact CD2-CB 3.61Å; Y117-P165 HydrophobicContact CD2-CG 3.77Å; Y117-P165 HydrophobicContact CE1-CB 4.39Å; Y117-P165 HydrophobicContact CE2-CB 4.04Å; Y117-P165 HydrophobicContact CE2-CG 3.83Å; Y117-P165 HydrophobicContact CG-CB 3.58Å; Y117-P165 HydrophobicContact CG-CG 4.26Å
118	I	97.7	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127	175.5	-52.6	-56.8	0	0	0	109.1	Q60 A74 L78 W94	Q60-I118 HydrophobicContact CB-CG2 4.47Å; Q60-I118 HydrophobicContact CG-CG2 4.47Å; Q60-I118 WeakPolarHBondContact CG-O 3.5Å; A74-I118 VanDerWaalsContact O-CG1 3.26Å; A74-I118 WeakPolarHBondContact O-CG1 3.14Å; L78-I118 HydrophobicContact CD2-CD1 4.32Å; L78-I118 HydrophobicContact CD2-CG1 4.04Å; L78-I118 HydrophobicContact CD2-CG2 4.17Å; W94-I118 HydrophobicContact CD2-CD1 4.44Å; W94-I118 HydrophobicContact CE3-CD1 3.37Å; W94-I118 HydrophobicContact CZ3-CD1 3.55Å
119	R	97.1	Very high	94.3	Very high	39 Å²	39	44 Å²	44	15%	0.147	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	-14.7	-174.7	-69.7	-69.4	178.9	-96.8	8.9	113.4	D57 S59 Q60 Y117 C131 T133 P162 P165	D57-R119 IonicContact OD2-CZ 2.6Å; D57-R119 IonicContact OD2-NH1 3.89Å; D57-R119 PolarHBondContact OD2-NH1 2.83Å; D57-R119 IonicContact OD2-NH2 3.89Å; D57-R119 PolarHBondContact OD2-NH2 2.08Å; S59-R119 PolarHBondContact OG-NH1 2.9Å; Q60-R119 PolarHBondContact NE2-O 2.89Å; Y117-R119 PolarHBondContact O-N 2.72Å; R119-C131 PolarHBondContact N-O 3.41Å; R119-T133 HydrophobicContact CG-CG2 4Å; R119-P162 HydrophobicContact CB-CG 3.98Å; R119-P162 HydrophobicContact CG-CG 3.94Å; R119-P165 PolarHBondContact NE-O 2.95Å; R119-P165 PolarHBondContact NH2-O 3.49Å
120	V	97.2	Very high	94.4	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.036	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.8	171.4	-178.1	0	0	0	0	107.9	L122 F129 T130 C131 R160 C161 A171	V120-L122 HydrophobicContact CG1-CD1 3.64Å; V120-L122 HydrophobicContact CG1-CG 3.8Å; V120-F129 HydrophobicContact CG1-CD1 4.24Å; V120-F129 HydrophobicContact CG1-CE1 4.39Å; V120-T130 CarbonylContact O-C 3.59Å; V120-T130 VanDerWaalsContact O-CA 3.25Å; V120-T130 WeakPolarHBondContact O-CA 3.07Å; V120-T130 PolarHBondContact O-OG1 2.77Å; V120-T130 VanDerWaalsContact O-OG1 3.07Å; V120-C131 HydrophobicContact CB-CB 3.8Å; V120-C131 HydrophobicContact CG2-CB 4.04Å; V120-C131 PolarHBondContact N-O 3.02Å; V120-C131 VanDerWaalsContact N-O 3.15Å; V120-C131 PolarHBondContact O-N 2.87Å; V120-R160 WeakPolarHBondContact CG2-O 3.44Å; V120-C161 HydrophobicContact CG2-CB 4.31Å; V120-A171 HydrophobicContact CG1-CB 4.03Å; V120-A171 HydrophobicContact CG2-CB 4.08Å
121	L	96.5	Very high	94.6	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	90.4	-179.7	-167.6	71.8	0	0	0	108.9	Q60 T62 V71 L78 L128	Q60-L121 HydrophobicContact CB-CB 3.9Å; Q60-L121 HydrophobicContact CB-CD2 4.09Å; T62-L121 HydrophobicContact CG2-CD2 3.75Å; T62-L121 HydrophobicContact CG2-CG 3.69Å; V71-L121 HydrophobicContact CG1-CD1 4.21Å; V71-L121 HydrophobicContact CG1-CD2 4.24Å; L78-L121 HydrophobicContact CD2-CD1 3.99Å; L121-L128 HydrophobicContact CD1-CD1 3.85Å; L121-L128 HydrophobicContact CD1-CD2 3.86Å; L121-L128 HydrophobicContact CD1-CG 4.16Å; L121-L128 HydrophobicContact CG-CD1 4.16Å
122	L	95.6	Very high	94.8	Very high	34 Å²	34	31.1 Å²	31.1	18%	0.178	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131	-170.1	-60.1	172.7	0	0	0	110.3	V120 F129 A171 L173 L179	V120-L122 HydrophobicContact CG1-CD1 3.64Å; V120-L122 HydrophobicContact CG1-CG 3.8Å; L122-F129 PolarHBondContact N-O 2.01Å; L122-F129 PolarHBondContact O-N 3.47Å; L122-A171 HydrophobicContact CD1-CB 4.08Å; L122-L173 HydrophobicContact CB-CB 4.27Å; L122-L173 HydrophobicContact CD1-CB 4.11Å; L122-L179 HydrophobicContact CD1-CD1 3.74Å
123	V	93.3	Very high	95	Very high	43 Å²	43	25.4 Å²	25.4	26%	0.261	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.5	176.1	179.9	0	0	0	0	108.8	T62 L128 L145	T62-V123 HydrophobicContact CG2-CG2 3.76Å; V123-L128 HydrophobicContact CG2-CD1 4.04Å; V123-L145 HydrophobicContact CG1-CD2 3.79Å; V123-L145 HydrophobicContact CG2-CD1 4.12Å
124	G	89	Confident	95.2	Very high	29 Å²	29	24.2 Å²	24.2	30%	0.299	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	100.5	175.8	0	0	0	0	0	110.2	D126 R127	G124-D126 PolarHBondContact O-N 2.97Å; G124-R127 PolarHBondContact N-O 2.76Å; G124-R127 PolarHBondContact O-N 3.25Å; G124-R127 VanDerWaalsContact O-N 3.16Å
125	G	86.6	Confident	95.2	Very high	73 Å²	73	24.2 Å²	24.2	75%	0.753	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	-123.2	-174	0	0	0	0	0	111.7
126	D	89.5	Confident	95.2	Very high	117 Å²	117	23.4 Å²	23.4	63%	0.626	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	6.6	176.8	65.9	-25.7	0	0	0	113.5	G124 L145	G124-D126 PolarHBondContact O-N 2.97Å; D126-L145 WeakPolarHBondContact O-CB 2.91Å; D126-L145 PolarHBondContact O-N 3.29Å
127	R	92.3	Very high	95.1	Very high	99 Å²	99	25.8 Å²	25.8	37%	0.374	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151	-177.1	-53	-172.3	179.3	-174.4	-1.8	112.9	G124 N142 R143	G124-R127 PolarHBondContact N-O 2.76Å; G124-R127 PolarHBondContact O-N 3.25Å; G124-R127 VanDerWaalsContact O-N 3.16Å; R127-N142 WeakPolarHBondContact CB-OD1 3.25Å; R127-N142 PolarHBondContact NH1-ND2 2.83Å; R127-R143 CarbonylContact C-O 3.58Å; R127-R143 WeakPolarHBondContact CA-O 3.36Å
128	L	94.8	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.2	173.6	-177.4	74	0	0	0	109.5	T62 V71 L121 V123 R143 L145 L148	T62-L128 HydrophobicContact CG2-CD1 4.16Å; V71-L128 HydrophobicContact CG1-CD1 4.45Å; V71-L128 HydrophobicContact CG1-CD2 3.93Å; L121-L128 HydrophobicContact CD1-CD1 3.85Å; L121-L128 HydrophobicContact CD1-CD2 3.86Å; L121-L128 HydrophobicContact CD1-CG 4.16Å; L121-L128 HydrophobicContact CG-CD1 4.16Å; V123-L128 HydrophobicContact CG2-CD1 4.04Å; L128-R143 HydrophobicContact CB-CB 4.47Å; L128-R143 PolarHBondContact N-O 3.07Å; L128-R143 PolarHBondContact O-N 2.9Å; L128-L145 HydrophobicContact CB-CD1 4.02Å; L128-L145 HydrophobicContact CD1-CD1 4.26Å; L128-L148 HydrophobicContact CD2-CD2 3.61Å
129	F	95.8	Very high	95.1	Very high	7 Å²	7	26 Å²	26	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.4	169	-174.3	-98.6	0	0	0	109.4	V120 L122 C131 C140 I155 L179 L198	V120-F129 HydrophobicContact CG1-CD1 4.24Å; V120-F129 HydrophobicContact CG1-CE1 4.39Å; L122-F129 PolarHBondContact N-O 2.01Å; L122-F129 PolarHBondContact O-N 3.47Å; F129-C131 WeakPolarHBondContact CE1-SG 3.07Å; F129-C140 HydrophobicContact CE1-CB 4.4Å; F129-C140 HydrophobicContact CE2-CB 3.99Å; F129-C140 HydrophobicContact CZ-CB 3.66Å; F129-I155 HydrophobicContact CE2-CD1 3.92Å; F129-I155 HydrophobicContact CZ-CD1 4.13Å; F129-L179 HydrophobicContact CD1-CD1 4.1Å; F129-L179 HydrophobicContact CD1-CD2 4.48Å; F129-L179 HydrophobicContact CE1-CD1 3.86Å; F129-L179 HydrophobicContact CE1-CD2 3.51Å; F129-L179 HydrophobicContact CE1-CG 4.31Å; F129-L179 HydrophobicContact CZ-CD2 3.76Å; F129-L198 HydrophobicContact CD2-CD1 4.27Å; F129-L198 HydrophobicContact CE2-CD1 3.79Å; F129-L198 HydrophobicContact CZ-CD1 4.01Å
130	T	97.3	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.5	-177	-176.2	0	0	0	0	112	L78 W94 V120 C140 T141	L78-T130 HydrophobicContact CD1-CG2 4.06Å; W94-T130 HydrophobicContact CE3-CG2 4.49Å; W94-T130 HydrophobicContact CH2-CG2 4.33Å; W94-T130 HydrophobicContact CZ3-CG2 3.76Å; V120-T130 CarbonylContact O-C 3.59Å; V120-T130 VanDerWaalsContact O-CA 3.25Å; V120-T130 WeakPolarHBondContact O-CA 3.07Å; V120-T130 PolarHBondContact O-OG1 2.77Å; V120-T130 VanDerWaalsContact O-OG1 3.07Å; T130-C140 CarbonylContact O-C 3.47Å; T130-C140 VanDerWaalsContact O-CA 3.23Å; T130-C140 WeakPolarHBondContact O-CA 3.4Å; T130-T141 VanDerWaalsContact CG2-OG1 3.29Å; T130-T141 WeakPolarHBondContact CG2-OG1 3.43Å; T130-T141 PolarHBondContact N-O 3.03Å; T130-T141 PolarHBondContact O-N 2.76Å
131	C	97.8	Very high	95.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.2	175.8	-45.6	0	0	0	0	111.7	R119 V120 F129 V139 C140 C161	R119-C131 PolarHBondContact N-O 3.41Å; V120-C131 HydrophobicContact CB-CB 3.8Å; V120-C131 HydrophobicContact CG2-CB 4.04Å; V120-C131 PolarHBondContact N-O 3.02Å; V120-C131 VanDerWaalsContact N-O 3.15Å; V120-C131 PolarHBondContact O-N 2.87Å; F129-C131 WeakPolarHBondContact CE1-SG 3.07Å; C131-V139 WeakPolarHBondContact CA-O 3.41Å; C131-C140 HydrophobicContact CB-CB 3.97Å; C131-C140 WeakPolarHBondContact CB-SG 3.42Å; C131-C140 WeakPolarHBondContact SG-CB 3.08Å; C131-C140 CovalentContact SG-SG 2.03Å; C131-C140 PolarHBondContact SG-SG 2.81Å; C131-C161 HydrophobicContact CB-CB 3.51Å
132	G	97.3	Very high	95	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.5	173.7	0	0	0	0	0	113.3	N116 Y117 N134 P138 V139 C161	N116-G132 VanDerWaalsContact OD1-C 3.24Å; N116-G132 WeakPolarHBondContact OD1-CA 3.32Å; Y117-G132 CarbonylContact O-C 3.59Å; Y117-G132 WeakPolarHBondContact O-CA 3.39Å; G132-N134 PolarHBondContact O-N 3.26Å; G132-P138 VanDerWaalsContact O-CA 3.27Å; G132-P138 WeakPolarHBondContact O-CA 3.33Å; G132-V139 PolarHBondContact N-O 2.83Å; G132-V139 PolarHBondContact O-N 2.86Å; G132-V139 VanDerWaalsContact O-N 3.08Å; G132-C161 VanDerWaalsContact C-SG 3.55Å
133	T	97	Very high	95.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.145	C	C	.	.			trans	-63	-25.1	-178.2	61.6	0	0	0	0	112.9	Q115 N116 Y117 R119 A135 F136 T137 P162 Y163 P165	Q115-T133 PolarHBondContact O-OG1 2.02Å; N116-T133 PolarHBondContact OD1-N 2.65Å; Y117-T133 PolarHBondContact N-OG1 2.75Å; Y117-T133 PolarHBondContact O-N 3.45Å; R119-T133 HydrophobicContact CG-CG2 4Å; T133-A135 VanDerWaalsContact C-N 3.34Å; T133-A135 PolarHBondContact O-N 3.49Å; T133-F136 WeakPolarHBondContact O-CA 3.21Å; T133-F136 PolarHBondContact O-N 3.02Å; T133-T137 CarbonylContact O-C 3.48Å; T133-T137 PolarHBondContact O-N 3.09Å; T133-P162 WeakPolarHBondContact CG2-O 3.42Å; T133-Y163 WeakPolarHBondContact CB-O 3.29Å; T133-P165 HydrophobicContact CG2-CB 4.39Å
134	N	97.2	Very high	95.1	Very high	14 Å²	14	21.9 Å²	21.9	8%	0.075	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.7	58.7	177.6	-173.2	57.9	0	0	0	112.6	C96 N116 G132 F136 T137 V139	C96-N134 WeakPolarHBondContact CA-OD1 3.03Å; C96-N134 WeakPolarHBondContact CB-OD1 3.49Å; N116-N134 WeakPolarHBondContact OD1-CA 3.33Å; N116-N134 PolarHBondContact OD1-N 3.49Å; G132-N134 PolarHBondContact O-N 3.26Å; N134-F136 PolarHBondContact O-N 2.73Å; N134-T137 WeakPolarHBondContact CB-O 3.16Å; N134-T137 PolarHBondContact ND2-O 3.08Å; N134-T137 PolarHBondContact ND2-OG1 2.88Å; N134-T137 VanDerWaalsContact ND2-OG1 3.1Å; N134-T137 PolarHBondContact O-N 3.49Å; N134-T137 PolarHBondContact O-OG1 2.05Å; N134-V139 HydrophobicContact CB-CB 4.44Å; N134-V139 HydrophobicContact CB-CG2 4.17Å; N134-V139 WeakPolarHBondContact ND2-CG2 3.36Å
135	A	96.8	Very high	95.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	52.9	-177.7	0	0	0	0	0	114.2	C96 T100 C104 C114 Q115 T133 T137	C96-A135 HydrophobicContact CB-CB 4.21Å; T100-A135 HydrophobicContact CG2-CB 4.1Å; C104-A135 HydrophobicContact CB-CB 3.92Å; C104-A135 WeakPolarHBondContact CB-O 3.2Å; C114-A135 HydrophobicContact CB-CB 4.1Å; Q115-A135 PolarHBondContact O-N 2.87Å; T133-A135 VanDerWaalsContact C-N 3.34Å; T133-A135 PolarHBondContact O-N 3.49Å; A135-T137 VanDerWaalsContact C-N 3.28Å; A135-T137 PolarHBondContact O-N 2.87Å
136	F	95.5	Very high	95.5	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	34.1	-176.2	-59.3	-107.7	0	0	0	113.8	C104 K109 E113 T133 N134 Y163 S164 F187	C104-F136 VanDerWaalsContact SG-CD2 3.52Å; K109-F136 HydrophobicContact CB-CE2 3.99Å; K109-F136 HydrophobicContact CD-CE1 4.14Å; K109-F136 HydrophobicContact CD-CE2 3.89Å; K109-F136 HydrophobicContact CD-CZ 3.57Å; K109-F136 VanDerWaalsContact CE-CE1 3.48Å; K109-F136 VanDerWaalsContact CE-CZ 3.44Å; K109-F136 HydrophobicContact CG-CD2 4.11Å; K109-F136 HydrophobicContact CG-CE1 4.41Å; K109-F136 HydrophobicContact CG-CE2 3.65Å; K109-F136 HydrophobicContact CG-CZ 3.84Å; E113-F136 HydrophobicContact CB-CE2 3.72Å; E113-F136 HydrophobicContact CB-CZ 4.12Å; T133-F136 WeakPolarHBondContact O-CA 3.21Å; T133-F136 PolarHBondContact O-N 3.02Å; N134-F136 PolarHBondContact O-N 2.73Å; F136-Y163 WeakPolarHBondContact CA-O 3.2Å; F136-Y163 HydrophobicContact CB-CD1 4.31Å; F136-Y163 WeakPolarHBondContact CD1-O 3.26Å; F136-Y163 WeakPolarHBondContact O-CD1 3.03Å; F136-S164 WeakPolarHBondContact CE1-OG 3.43Å; F136-F187 HydrophobicContact CB-CD2 3.59Å; F136-F187 HydrophobicContact CB-CE2 3.45Å; F136-F187 VanDerWaalsContact CB-CE2 3.45Å; F136-F187 AromaticContact CD1-CD2 3.67Å; F136-F187 HydrophobicContact CD1-CD2 3.67Å; F136-F187 AromaticContact CD1-CE2 3.37Å; F136-F187 HydrophobicContact CD1-CE2 3.37Å; F136-F187 HydrophobicContact CD1-CZ 4.11Å; F136-F187 HydrophobicContact CD2-CE2 4.33Å; F136-F187 HydrophobicContact CE1-CE2 4.19Å; F136-F187 AromaticContact CG-CD2 3.95Å; F136-F187 HydrophobicContact CG-CD2 3.95Å; F136-F187 AromaticContact CG-CE2 3.48Å; F136-F187 HydrophobicContact CG-CE2 3.48Å; F136-F187 VanDerWaalsContact CG-CE2 3.48Å; F136-F187 HydrophobicContact CG-CZ 4.43Å
137	T	96.3	Very high	95.7	Very high	49 Å²	49	17.8 Å²	17.8	30%	0.301	10%	0.096	S	C	.	.	S	Bend	trans	-138.5	71.7	167.9	58.7	0	0	0	0	109.3	T100 T133 N134 A135 V139	T100-T137 HydrophobicContact CG2-CG2 4.08Å; T100-T137 WeakPolarHBondContact CG2-OG1 3.22Å; T133-T137 CarbonylContact O-C 3.48Å; T133-T137 PolarHBondContact O-N 3.09Å; N134-T137 WeakPolarHBondContact CB-O 3.16Å; N134-T137 PolarHBondContact ND2-O 3.08Å; N134-T137 PolarHBondContact ND2-OG1 2.88Å; N134-T137 VanDerWaalsContact ND2-OG1 3.1Å; N134-T137 PolarHBondContact O-N 3.49Å; N134-T137 PolarHBondContact O-OG1 2.05Å; A135-T137 VanDerWaalsContact C-N 3.28Å; A135-T137 PolarHBondContact O-N 2.87Å; T137-V139 WeakPolarHBondContact O-CG2 3.31Å; T137-V139 PolarHBondContact O-N 2.78Å
138	P	96.9	Very high	95.8	Very high	7 Å²	7	13 Å²	13	5%	0.045	8%	0.078	C	C	.	.			trans	-54	137.7	-165.6	-27	35.1	0	0	0	113.5	G132 G157 C161 P162 Y163	G132-P138 VanDerWaalsContact O-CA 3.27Å; G132-P138 WeakPolarHBondContact O-CA 3.33Å; P138-G157 VanDerWaalsContact O-CA 3.25Å; P138-G157 WeakPolarHBondContact O-CA 3.46Å; P138-G157 PolarHBondContact O-N 3.36Å; P138-C161 HydrophobicContact CB-CB 4.02Å; P138-P162 WeakPolarHBondContact CG-O 3.43Å; P138-Y163 VanDerWaalsContact CD-CD1 3.48Å; P138-Y163 VanDerWaalsContact CD-CE1 3.45Å; P138-Y163 HydrophobicContact CG-CD1 4.05Å; P138-Y163 HydrophobicContact CG-CD2 3.82Å; P138-Y163 HydrophobicContact CG-CE1 4.26Å; P138-Y163 HydrophobicContact CG-CE2 4.03Å; P138-Y163 HydrophobicContact CG-CG 3.82Å
139	V	97.4	Very high	95.9	Very high	23 Å²	23	17.3 Å²	17.3	14%	0.139	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.1	179.6	178.9	0	0	0	0	109.2	W94 C131 G132 N134 T137 Q154	W94-V139 HydrophobicContact CZ2-CB 4.4Å; W94-V139 HydrophobicContact CZ2-CG1 4.1Å; C131-V139 WeakPolarHBondContact CA-O 3.41Å; G132-V139 PolarHBondContact N-O 2.83Å; G132-V139 PolarHBondContact O-N 2.86Å; G132-V139 VanDerWaalsContact O-N 3.08Å; N134-V139 HydrophobicContact CB-CB 4.44Å; N134-V139 HydrophobicContact CB-CG2 4.17Å; N134-V139 WeakPolarHBondContact ND2-CG2 3.36Å; T137-V139 WeakPolarHBondContact O-CG2 3.31Å; T137-V139 PolarHBondContact O-N 2.78Å; V139-Q154 HydrophobicContact CG1-CG 3.57Å
140	C	97.6	Very high	95.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.3	172.4	-60.4	0	0	0	0	110.8	F129 T130 C131 Q154 I155 G157	F129-C140 HydrophobicContact CE1-CB 4.4Å; F129-C140 HydrophobicContact CE2-CB 3.99Å; F129-C140 HydrophobicContact CZ-CB 3.66Å; T130-C140 CarbonylContact O-C 3.47Å; T130-C140 VanDerWaalsContact O-CA 3.23Å; T130-C140 WeakPolarHBondContact O-CA 3.4Å; C131-C140 HydrophobicContact CB-CB 3.97Å; C131-C140 WeakPolarHBondContact CB-SG 3.42Å; C131-C140 WeakPolarHBondContact SG-CB 3.08Å; C131-C140 CovalentContact SG-SG 2.03Å; C131-C140 PolarHBondContact SG-SG 2.81Å; C140-Q154 WeakPolarHBondContact O-CA 3.12Å; C140-I155 HydrophobicContact CB-CD1 4.36Å; C140-I155 HydrophobicContact CB-CG1 3.74Å; C140-I155 PolarHBondContact N-O 3.07Å; C140-I155 PolarHBondContact O-N 3.4Å; C140-G157 VanDerWaalsContact SG-CA 3.59Å
141	T	97	Very high	95.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.1	174.7	55.6	0	0	0	0	110.1	W94 T130 R143 I151 D153 Q154	W94-T141 HydrophobicContact CH2-CG2 4.05Å; W94-T141 HydrophobicContact CZ2-CG2 3.61Å; T130-T141 VanDerWaalsContact CG2-OG1 3.29Å; T130-T141 WeakPolarHBondContact CG2-OG1 3.43Å; T130-T141 PolarHBondContact N-O 3.03Å; T130-T141 PolarHBondContact O-N 2.76Å; T141-R143 PolarHBondContact OG1-NE 2.77Å; T141-I151 HydrophobicContact CG2-CD1 4.45Å; T141-I151 HydrophobicContact CG2-CG2 4.11Å; T141-D153 WeakPolarHBondContact CA-O 3.4Å; T141-Q154 HydrophobicContact CG2-CB 4.18Å; T141-Q154 HydrophobicContact CG2-CG 3.99Å
142	N	95.1	Very high	95.6	Very high	24 Å²	24	28.9 Å²	28.9	13%	0.128	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.8	167.9	-161.3	4.7	0	0	0	109.1	R127 H152 D153	R127-N142 WeakPolarHBondContact CB-OD1 3.25Å; R127-N142 PolarHBondContact NH1-ND2 2.83Å; N142-H152 PolarHBondContact O-N 2.82Å; N142-D153 VanDerWaalsContact CB-CG 3.46Å; N142-D153 WeakPolarHBondContact CB-OD1 3.23Å; N142-D153 PolarHBondContact N-O 3.05Å; N142-D153 VanDerWaalsContact N-O 3.12Å; N142-D153 PolarHBondContact N-OD1 2.86Å; N142-D153 VanDerWaalsContact N-OD1 3.16Å
143	R	96.1	Very high	95.4	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.019	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152.3	-171.9	-64.9	173.9	-179.9	-112	3.3	111.2	W94 R127 L128 T141 L145 L148 E150 I151	W94-R143 VanDerWaalsContact CD2-NH2 3.3Å; R127-R143 CarbonylContact C-O 3.58Å; R127-R143 WeakPolarHBondContact CA-O 3.36Å; L128-R143 HydrophobicContact CB-CB 4.47Å; L128-R143 PolarHBondContact N-O 3.07Å; L128-R143 PolarHBondContact O-N 2.9Å; T141-R143 PolarHBondContact OG1-NE 2.77Å; R143-L145 PolarHBondContact O-N 2.88Å; R143-L148 WeakPolarHBondContact CD-O 3.3Å; R143-L148 PolarHBondContact NH1-O 3.37Å; R143-E150 VanDerWaalsContact CA-O 3.24Å; R143-E150 WeakPolarHBondContact CA-O 3.36Å; R143-I151 HydrophobicContact CG-CG1 4.07Å
144	S	94.7	Very high	95.3	Very high	12 Å²	12	38 Å²	38	8%	0.084	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128.3	170.1	-179.9	0	0	0	0	109.8	S146 N147 E150	S144-S146 PolarHBondContact O-N 2.63Å; S144-S146 PolarHBondContact OG-OG 3.18Å; S144-N147 CarbonylContact O-C 3.57Å; S144-N147 PolarHBondContact O-N 3.06Å; S144-N147 VanDerWaalsContact O-O 3.09Å; S144-E150 PolarHBondContact N-O 2.79Å
145	L	92.5	Very high	95.2	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.8	-179.5	-165.9	64.4	0	0	0	111.5	D64 V71 R80 V123 D126 L128 R143 N147	D64-L145 HydrophobicContact CB-CD2 3.9Å; D64-L145 HydrophobicContact CB-CG 4.28Å; D64-L145 WeakPolarHBondContact OD1-CD2 3.34Å; D64-L145 VanDerWaalsContact OD2-CD2 3.22Å; D64-L145 WeakPolarHBondContact OD2-CD2 3.27Å; D64-L145 WeakPolarHBondContact OD2-CG 3.42Å; V71-L145 HydrophobicContact CG2-CD1 4.13Å; R80-L145 PolarHBondContact NE-O 2.83Å; V123-L145 HydrophobicContact CG1-CD2 3.79Å; V123-L145 HydrophobicContact CG2-CD1 4.12Å; D126-L145 WeakPolarHBondContact O-CB 2.91Å; D126-L145 PolarHBondContact O-N 3.29Å; L128-L145 HydrophobicContact CB-CD1 4.02Å; L128-L145 HydrophobicContact CD1-CD1 4.26Å; R143-L145 PolarHBondContact O-N 2.88Å; L145-N147 VanDerWaalsContact C-N 3.34Å; L145-N147 PolarHBondContact O-N 2.82Å
146	S	91.5	Very high	95.1	Very high	63 Å²	63	42 Å²	42	44%	0.441	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.2	176.8	70.6	0	0	0	0	114.8	R80 S144	R80-S146 VanDerWaalsContact NH1-C 3.28Å; R80-S146 PolarHBondContact NH1-O 2.71Å; S144-S146 PolarHBondContact O-N 2.63Å; S144-S146 PolarHBondContact OG-OG 3.18Å
147	N	93.7	Very high	95	Very high	63 Å²	63	42 Å²	42	34%	0.337	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	100.2	176.6	-178.2	-3.1	0	0	0	109.9	Q90 S144 L145 T149 E150	Q90-N147 PolarHBondContact NE2-OD1 2.87Å; S144-N147 CarbonylContact O-C 3.57Å; S144-N147 PolarHBondContact O-N 3.06Å; S144-N147 VanDerWaalsContact O-O 3.09Å; L145-N147 VanDerWaalsContact C-N 3.34Å; L145-N147 PolarHBondContact O-N 2.82Å; N147-T149 PolarHBondContact O-N 2.99Å; N147-T149 WeakPolarHBondContact OD1-CB 3.24Å; N147-T149 PolarHBondContact OD1-N 2.86Å; N147-T149 VanDerWaalsContact OD1-N 3.09Å; N147-T149 PolarHBondContact OD1-OG1 3.32Å; N147-E150 PolarHBondContact O-N 3.49Å
148	L	94.5	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-8.6	-175.5	-57.5	-170.3	0	0	0	113.9	V71 L78 R80 V92 L128 R143	V71-L148 HydrophobicContact CG1-CD1 4.12Å; L78-L148 HydrophobicContact CB-CD1 3.8Å; R80-L148 HydrophobicContact CG-CD1 3.66Å; R80-L148 HydrophobicContact CG-CD2 4.43Å; R80-L148 HydrophobicContact CG-CG 3.86Å; V92-L148 HydrophobicContact CB-CB 4.42Å; V92-L148 HydrophobicContact CG2-CB 3.73Å; L128-L148 HydrophobicContact CD2-CD2 3.61Å; R143-L148 WeakPolarHBondContact CD-O 3.3Å; R143-L148 PolarHBondContact NH1-O 3.37Å
149	T	95.5	Very high	94.7	Very high	89 Å²	89	43 Å²	43	55%	0.546	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-25.4	175.8	-47.9	0	0	0	0	111.5	Q90 N147 I151	Q90-T149 PolarHBondContact NE2-OG1 2.97Å; Q90-T149 VanDerWaalsContact NE2-OG1 3.17Å; N147-T149 PolarHBondContact O-N 2.99Å; N147-T149 WeakPolarHBondContact OD1-CB 3.24Å; N147-T149 PolarHBondContact OD1-N 2.86Å; N147-T149 VanDerWaalsContact OD1-N 3.09Å; N147-T149 PolarHBondContact OD1-OG1 3.32Å; T149-I151 PolarHBondContact O-N 3.35Å
150	E	95.5	Very high	94.6	Very high	94 Å²	94	43.4 Å²	43.4	44%	0.439	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	107.6	179.1	-172.1	-178	175.7	0	0	110.1	R143 S144 N147 H152	R143-E150 VanDerWaalsContact CA-O 3.24Å; R143-E150 WeakPolarHBondContact CA-O 3.36Å; S144-E150 PolarHBondContact N-O 2.79Å; N147-E150 PolarHBondContact O-N 3.49Å; E150-H152 IonicContact OE1-CE1 3.63Å; E150-H152 PolarHBondContact OE1-CE1 3.05Å
151	I	95.7	Very high	94.5	Very high	77 Å²	77	43.4 Å²	43.4	40%	0.395	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.6	177.1	-59.2	169.7	0	0	0	108.1	T141 R143 T149 D153	T141-I151 HydrophobicContact CG2-CD1 4.45Å; T141-I151 HydrophobicContact CG2-CG2 4.11Å; R143-I151 HydrophobicContact CG-CG1 4.07Å; T149-I151 PolarHBondContact O-N 3.35Å; I151-D153 WeakPolarHBondContact CG2-O 3.5Å
152	H	93.7	Very high	94.5	Very high	79 Å²	79	43.5 Å²	43.5	37%	0.366	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-40.5	176.7	-62.8	-62	0	0	0	112.3	N142 E150	N142-H152 PolarHBondContact O-N 2.82Å; E150-H152 IonicContact OE1-CE1 3.63Å; E150-H152 PolarHBondContact OE1-CE1 3.05Å
153	D	93	Very high	94.5	Very high	63 Å²	63	43.6 Å²	43.6	34%	0.337	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.9	177.4	62.7	38.2	0	0	0	111.2	T141 N142 I151	T141-D153 WeakPolarHBondContact CA-O 3.4Å; N142-D153 VanDerWaalsContact CB-CG 3.46Å; N142-D153 WeakPolarHBondContact CB-OD1 3.23Å; N142-D153 PolarHBondContact N-O 3.05Å; N142-D153 VanDerWaalsContact N-O 3.12Å; N142-D153 PolarHBondContact N-OD1 2.86Å; N142-D153 VanDerWaalsContact N-OD1 3.16Å; I151-D153 WeakPolarHBondContact CG2-O 3.5Å
154	Q	95	Very high	94.5	Very high	130 Å²	130	43.6 Å²	43.6	61%	0.607	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133	125.7	171.3	-177.2	178.8	-64	0	0	108.5	V139 C140 T141	V139-Q154 HydrophobicContact CG1-CG 3.57Å; C140-Q154 WeakPolarHBondContact O-CA 3.12Å; T141-Q154 HydrophobicContact CG2-CB 4.18Å; T141-Q154 HydrophobicContact CG2-CG 3.99Å
155	I	95.2	Very high	94.4	Very high	43 Å²	43	43.7 Å²	43.7	22%	0.221	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	162.3	-178	66.7	175.7	0	0	0	110.9	F129 C140 G157 L198	F129-I155 HydrophobicContact CE2-CD1 3.92Å; F129-I155 HydrophobicContact CZ-CD1 4.13Å; C140-I155 HydrophobicContact CB-CD1 4.36Å; C140-I155 HydrophobicContact CB-CG1 3.74Å; C140-I155 PolarHBondContact N-O 3.07Å; C140-I155 PolarHBondContact O-N 3.4Å; I155-G157 PolarHBondContact O-N 3.39Å; I155-L198 HydrophobicContact CD1-CD2 3.78Å
156	S	95.1	Very high	94.4	Very high	54 Å²	54	48.7 Å²	48.7	38%	0.378	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	130.6	173.3	180	0	0	0	0	111.2	M158 R160	S156-M158 VanDerWaalsContact C-N 3.28Å; S156-M158 WeakPolarHBondContact OG-CB 3.11Å; S156-M158 PolarHBondContact OG-N 3.12Å; S156-R160 PolarHBondContact O-NH1 2.89Å
157	G	94	Very high	94.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.			trans	-83.2	-1.7	174.9	0	0	0	0	0	113.9	P138 C140 I155 A159 R160 C161	P138-G157 VanDerWaalsContact O-CA 3.25Å; P138-G157 WeakPolarHBondContact O-CA 3.46Å; P138-G157 PolarHBondContact O-N 3.36Å; C140-G157 VanDerWaalsContact SG-CA 3.59Å; I155-G157 PolarHBondContact O-N 3.39Å; G157-A159 PolarHBondContact O-N 3.2Å; G157-R160 PolarHBondContact O-N 3.09Å; G157-C161 PolarHBondContact O-N 2.04Å
158	M	94	Very high	94.5	Very high	72 Å²	72	49.1 Å²	49.1	36%	0.355	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	132.9	173.7	-174.8	-174.8	-65.7	0	0	109.9	S156 R160 Y163	S156-M158 VanDerWaalsContact C-N 3.28Å; S156-M158 WeakPolarHBondContact OG-CB 3.11Å; S156-M158 PolarHBondContact OG-N 3.12Å; M158-R160 PolarHBondContact O-N 2.89Å; M158-R160 VanDerWaalsContact O-N 3.12Å; M158-Y163 WeakPolarHBondContact CE-OH 3.36Å
159	A	92.2	Very high	94.6	Very high	6 Å²	6	50.8 Å²	50.8	5%	0.05	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-2.7	-174.8	0	0	0	0	0	116.6	G157 A181 M185 Y195	G157-A159 PolarHBondContact O-N 3.2Å; A159-A181 WeakPolarHBondContact O-CB 3.45Å; A159-M185 HydrophobicContact CB-CG 3.44Å; A159-M185 VanDerWaalsContact CB-CG 3.44Å; A159-M185 HydrophobicContact CB-SD 3.57Å; A159-M185 VanDerWaalsContact CB-SD 3.57Å; A159-Y195 HydrophobicContact CB-CD1 3.38Å; A159-Y195 HydrophobicContact CB-CE1 3.74Å; A159-Y195 HydrophobicContact CB-CG 3.84Å
160	R	95.2	Very high	94.6	Very high	32 Å²	32	47.5 Å²	47.5	12%	0.121	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-29	-178.8	-60	178.9	179.9	89.5	2	112.3	V120 S156 G157 M158 L179 S197	V120-R160 WeakPolarHBondContact CG2-O 3.44Å; S156-R160 PolarHBondContact O-NH1 2.89Å; G157-R160 PolarHBondContact O-N 3.09Å; M158-R160 PolarHBondContact O-N 2.89Å; M158-R160 VanDerWaalsContact O-N 3.12Å; R160-L179 HydrophobicContact CB-CD2 3.93Å; R160-L179 HydrophobicContact CG-CD2 3.65Å; R160-S197 PolarHBondContact NE-OG 3.26Å; R160-S197 VanDerWaalsContact NH2-CB 3.34Å; R160-S197 PolarHBondContact NH2-OG 2.89Å
161	C	96	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-141.2	143.6	-176	-176.2	0	0	0	0	109.4	V120 C131 G132 P138 G157	V120-C161 HydrophobicContact CG2-CB 4.31Å; C131-C161 HydrophobicContact CB-CB 3.51Å; G132-C161 VanDerWaalsContact C-SG 3.55Å; P138-C161 HydrophobicContact CB-CB 4.02Å; G157-C161 PolarHBondContact O-N 2.04Å
162	P	96.3	Very high	94.7	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.213	C	C	.	.			trans	-66.5	151.8	178.4	25.6	-34.6	0	0	0	112.3	R119 T133 P138 H167 T183	R119-P162 HydrophobicContact CB-CG 3.98Å; R119-P162 HydrophobicContact CG-CG 3.94Å; T133-P162 WeakPolarHBondContact CG2-O 3.42Å; P138-P162 WeakPolarHBondContact CG-O 3.43Å; P162-H167 HydrophobicContact CB-CB 3.9Å; P162-T183 VanDerWaalsContact CA-OG1 3.29Å; P162-T183 WeakPolarHBondContact CA-OG1 3.43Å; P162-T183 WeakPolarHBondContact CB-OG1 3.38Å
163	Y	95.7	Very high	94.7	Very high	26 Å²	26	39.3 Å²	39.3	10%	0.102	21%	0.207	C	C	.	.	S	Bend	trans	-73.9	-44.1	170.7	-76.4	-106.2	0	0	0	112.3	T133 F136 P138 M158 M185 F187	T133-Y163 WeakPolarHBondContact CB-O 3.29Å; F136-Y163 WeakPolarHBondContact CA-O 3.2Å; F136-Y163 HydrophobicContact CB-CD1 4.31Å; F136-Y163 WeakPolarHBondContact CD1-O 3.26Å; F136-Y163 WeakPolarHBondContact O-CD1 3.03Å; P138-Y163 VanDerWaalsContact CD-CD1 3.48Å; P138-Y163 VanDerWaalsContact CD-CE1 3.45Å; P138-Y163 HydrophobicContact CG-CD1 4.05Å; P138-Y163 HydrophobicContact CG-CD2 3.82Å; P138-Y163 HydrophobicContact CG-CE1 4.26Å; P138-Y163 HydrophobicContact CG-CE2 4.03Å; P138-Y163 HydrophobicContact CG-CG 3.82Å; M158-Y163 WeakPolarHBondContact CE-OH 3.36Å; Y163-M185 VanDerWaalsContact CE2-C 3.49Å; Y163-M185 WeakPolarHBondContact CE2-O 3.28Å; Y163-M185 PolarHBondContact OH-O 3.4Å; Y163-F187 HydrophobicContact CD1-CB 4.33Å; Y163-F187 HydrophobicContact CD1-CD2 4.48Å
164	S	94.9	Very high	94.7	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.042	19%	0.194	C	C	.	.	S	Bend	trans	-96.1	136.2	-178.2	-145.7	0	0	0	0	110.1	F136 Q166 H167	F136-S164 WeakPolarHBondContact CE1-OG 3.43Å; S164-Q166 PolarHBondContact O-N 2.9Å; S164-Q166 VanDerWaalsContact O-N 3.14Å; S164-Q166 PolarHBondContact OG-OE1 3.31Å; S164-H167 PolarHBondContact O-N 3.42Å; S164-H167 VanDerWaalsContact O-N 3.09Å
165	P	93.5	Very high	94.4	Very high	14 Å²	14	36 Å²	36	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.3	176	25.6	-32.9	0	0	0	113.9	Y117 R119 T133	Y117-P165 HydrophobicContact CD1-CB 4.01Å; Y117-P165 HydrophobicContact CD2-CB 3.61Å; Y117-P165 HydrophobicContact CD2-CG 3.77Å; Y117-P165 HydrophobicContact CE1-CB 4.39Å; Y117-P165 HydrophobicContact CE2-CB 4.04Å; Y117-P165 HydrophobicContact CE2-CG 3.83Å; Y117-P165 HydrophobicContact CG-CB 3.58Å; Y117-P165 HydrophobicContact CG-CG 4.26Å; R119-P165 PolarHBondContact NE-O 2.95Å; R119-P165 PolarHBondContact NH2-O 3.49Å; T133-P165 HydrophobicContact CG2-CB 4.39Å
166	Q	92.1	Very high	93.9	Very high	110 Å²	110	36.5 Å²	36.5	51%	0.514	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-10.3	175.7	-53.9	82.5	2.7	0	0	113.7	S164 N168	S164-Q166 PolarHBondContact O-N 2.9Å; S164-Q166 VanDerWaalsContact O-N 3.14Å; S164-Q166 PolarHBondContact OG-OE1 3.31Å; Q166-N168 PolarHBondContact O-N 2.96Å
167	H	93.4	Very high	93.6	Very high	57 Å²	57	35.3 Å²	35.3	26%	0.264	22%	0.221	S	C	.	.	S	Bend	trans	-80.5	118.7	177	-71.9	-178.3	0	0	0	109.3	P162 S164	P162-H167 HydrophobicContact CB-CB 3.9Å; S164-H167 PolarHBondContact O-N 3.42Å; S164-H167 VanDerWaalsContact O-N 3.09Å
168	N	93.5	Very high	93.6	Very high	78 Å²	78	36.8 Å²	36.8	42%	0.417	23%	0.228	S	C	.	.			trans	-70.4	137.4	175.4	-66.5	-14.5	0	0	0	109.7	Q166 N218 F219	Q166-N168 PolarHBondContact O-N 2.96Å; N168-N218 WeakPolarHBondContact CB-OD1 3.46Å; N168-N218 VanDerWaalsContact ND2-CG 3.31Å; N168-N218 PolarHBondContact ND2-ND2 2.03Å; N168-N218 VanDerWaalsContact ND2-ND2 3.11Å; N168-N218 PolarHBondContact ND2-OD1 3.41Å; N168-F219 WeakPolarHBondContact CB-O 3.41Å
169	S	96.2	Very high	93.7	Very high	35 Å²	35	33.4 Å²	33.4	25%	0.245	21%	0.211	C	C	.	.			trans	-152.4	156.2	-173.5	-63.8	0	0	0	0	108.7	A182 T183	S169-A182 VanDerWaalsContact CA-O 3.3Å; S169-A182 WeakPolarHBondContact CA-O 3.36Å; S169-A182 WeakPolarHBondContact CB-O 3.32Å; S169-T183 VanDerWaalsContact OG-CB 3.29Å; S169-T183 WeakPolarHBondContact OG-CB 3.42Å; S169-T183 PolarHBondContact OG-OG1 2.94Å
170	T	97.2	Very high	94	Very high	21 Å²	21	33.1 Å²	33.1	13%	0.129	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.5	174.1	-175	0	0	0	0	109.1	A181 A182 F219 S221 S222 F231	T170-A181 CarbonylContact O-C 3.59Å; T170-A181 WeakPolarHBondContact O-CA 3.28Å; T170-A182 HydrophobicContact CG2-CB 3.82Å; T170-A182 PolarHBondContact N-O 3.42Å; T170-A182 VanDerWaalsContact N-O 3.11Å; T170-A182 PolarHBondContact O-N 2.98Å; T170-F219 HydrophobicContact CG2-CB 4.16Å; T170-S221 VanDerWaalsContact OG1-C 3.27Å; T170-S221 WeakPolarHBondContact OG1-CA 3.46Å; T170-S222 PolarHBondContact OG1-N 3.41Å; T170-S222 PolarHBondContact OG1-OG 3.03Å; T170-F231 HydrophobicContact CG2-CD1 4.45Å
171	A	97.1	Very high	94.1	Very high	19 Å²	19	31.7 Å²	31.7	16%	0.157	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	149.5	173.4	0	0	0	0	0	109.8	V120 L122 L179 Y180 A181	V120-A171 HydrophobicContact CG1-CB 4.03Å; V120-A171 HydrophobicContact CG2-CB 4.08Å; L122-A171 HydrophobicContact CD1-CB 4.08Å; A171-L179 HydrophobicContact CB-CD1 4.37Å; A171-Y180 CarbonylContact C-O 3.49Å; A171-Y180 WeakPolarHBondContact CA-O 3.26Å; A171-A181 HydrophobicContact CB-CB 4.2Å
172	L	95.5	Very high	94.2	Very high	15 Å²	15	31.7 Å²	31.7	8%	0.079	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.2	170.1	65.7	84.3	0	0	0	109.9	T174 Y180 D224 T229	L172-T174 HydrophobicContact CD1-CG2 3.97Å; L172-Y180 HydrophobicContact CD1-CD2 3.91Å; L172-Y180 HydrophobicContact CD1-CG 4.28Å; L172-Y180 PolarHBondContact N-O 3.19Å; L172-Y180 PolarHBondContact O-N 3.15Å; L172-D224 HydrophobicContact CD1-CB 4.23Å; L172-D224 HydrophobicContact CD2-CB 4.41Å; L172-T229 HydrophobicContact CD1-CG2 4.28Å; L172-T229 HydrophobicContact CD2-CG2 3.73Å; L172-T229 HydrophobicContact CG-CG2 4.41Å
173	L	94.7	Very high	94.2	Very high	44 Å²	44	31.7 Å²	31.7	23%	0.23	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.9	173.8	-172.3	69.6	0	0	0	107.1	L122 L179	L122-L173 HydrophobicContact CB-CB 4.27Å; L122-L173 HydrophobicContact CD1-CB 4.11Å; L173-L179 HydrophobicContact CD1-CB 4.22Å
174	T	93	Very high	94.2	Very high	11 Å²	11	31 Å²	31	7%	0.067	20%	0.203	C	C	.	.			trans	-74.3	163.2	176.7	62	0	0	0	0	110.5	L172 G176 G177 E178 Y180	L172-T174 HydrophobicContact CD1-CG2 3.97Å; T174-G176 PolarHBondContact O-N 3.29Å; T174-G176 PolarHBondContact OG1-N 3.5Å; T174-G177 PolarHBondContact O-N 3.4Å; T174-G177 PolarHBondContact OG1-N 2.71Å; T174-E178 HydrophobicContact CG2-CB 4.35Å; T174-E178 PolarHBondContact N-O 3.24Å; T174-E178 WeakPolarHBondContact OG1-CB 3.49Å; T174-E178 PolarHBondContact OG1-N 3.18Å; T174-E178 PolarHBondContact OG1-O 3.12Å; T174-E178 PolarHBondContact OG1-OE2 2.86Å; T174-Y180 HydrophobicContact CG2-CD2 3.79Å; T174-Y180 HydrophobicContact CG2-CE2 3.55Å
175	A	86.9	Confident	94	Very high	113 Å²	113	31.6 Å²	31.6	93%	0.934	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.8	170.6	0	0	0	0	0	113.2	G177	A175-G177 VanDerWaalsContact C-N 3.27Å
176	G	85.2	Confident	94	Very high	52 Å²	52	32.4 Å²	32.4	54%	0.536	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.3	174.3	0	0	0	0	0	114.4	T174 E178	T174-G176 PolarHBondContact O-N 3.29Å; T174-G176 PolarHBondContact OG1-N 3.5Å; G176-E178 WeakPolarHBondContact CA-OE2 3.28Å
177	G	90	Very high	93.9	Very high	30 Å²	30	30 Å²	30	31%	0.309	20%	0.197	S	C	.	.	S	Bend	trans	85.2	9.7	-178.1	0	0	0	0	0	114.3	T174 A175 L198 G199	T174-G177 PolarHBondContact O-N 3.4Å; T174-G177 PolarHBondContact OG1-N 2.71Å; A175-G177 VanDerWaalsContact C-N 3.27Å; G177-L198 WeakPolarHBondContact O-CB 3.41Å; G177-G199 PolarHBondContact O-N 2.87Å
178	E	93.8	Very high	93.8	Very high	31 Å²	31	30.9 Å²	30.9	15%	0.145	21%	0.208	C	C	.	.			trans	-77.8	131.2	169.7	-59.3	84.1	-168.5	0	0	110.8	T174 G176 Y180 R196	T174-E178 HydrophobicContact CG2-CB 4.35Å; T174-E178 PolarHBondContact N-O 3.24Å; T174-E178 WeakPolarHBondContact OG1-CB 3.49Å; T174-E178 PolarHBondContact OG1-N 3.18Å; T174-E178 PolarHBondContact OG1-O 3.12Å; T174-E178 PolarHBondContact OG1-OE2 2.86Å; G176-E178 WeakPolarHBondContact CA-OE2 3.28Å; E178-Y180 HydrophobicContact CB-CD2 4.36Å; E178-Y180 HydrophobicContact CB-CE2 3.81Å; E178-R196 HydrophobicContact CB-CG 4.39Å
179	L	96	Very high	93.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.9	173.2	178.1	76	0	0	0	109.7	L122 F129 R160 A171 L173 R196 S197 L198	L122-L179 HydrophobicContact CD1-CD1 3.74Å; F129-L179 HydrophobicContact CD1-CD1 4.1Å; F129-L179 HydrophobicContact CD1-CD2 4.48Å; F129-L179 HydrophobicContact CE1-CD1 3.86Å; F129-L179 HydrophobicContact CE1-CD2 3.51Å; F129-L179 HydrophobicContact CE1-CG 4.31Å; F129-L179 HydrophobicContact CZ-CD2 3.76Å; R160-L179 HydrophobicContact CB-CD2 3.93Å; R160-L179 HydrophobicContact CG-CD2 3.65Å; A171-L179 HydrophobicContact CB-CD1 4.37Å; L173-L179 HydrophobicContact CD1-CB 4.22Å; L179-R196 CarbonylContact O-C 3.54Å; L179-R196 VanDerWaalsContact O-CA 3.32Å; L179-R196 WeakPolarHBondContact O-CA 3.3Å; L179-S197 PolarHBondContact N-O 2.97Å; L179-S197 PolarHBondContact O-N 2.87Å; L179-L198 HydrophobicContact CB-CB 4.33Å; L179-L198 HydrophobicContact CB-CD1 3.79Å; L179-L198 HydrophobicContact CB-CG 4Å; L179-L198 HydrophobicContact CD2-CD1 4.24Å
180	Y	97.6	Very high	93.5	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.2	168.6	-69.8	-102.5	0	0	0	108.7	A171 L172 T174 E178 Y195 R196 T229 F231 V253 K255 W268	A171-Y180 CarbonylContact C-O 3.49Å; A171-Y180 WeakPolarHBondContact CA-O 3.26Å; L172-Y180 HydrophobicContact CD1-CD2 3.91Å; L172-Y180 HydrophobicContact CD1-CG 4.28Å; L172-Y180 PolarHBondContact N-O 3.19Å; L172-Y180 PolarHBondContact O-N 3.15Å; T174-Y180 HydrophobicContact CG2-CD2 3.79Å; T174-Y180 HydrophobicContact CG2-CE2 3.55Å; E178-Y180 HydrophobicContact CB-CD2 4.36Å; E178-Y180 HydrophobicContact CB-CE2 3.81Å; Y180-Y195 CarbonylContact C-O 3.57Å; Y180-Y195 WeakPolarHBondContact CA-O 3.04Å; Y180-R196 HydrophobicContact CD1-CB 4.06Å; Y180-R196 HydrophobicContact CD1-CG 4.33Å; Y180-R196 HydrophobicContact CD2-CG 4.46Å; Y180-R196 HydrophobicContact CE1-CB 3.98Å; Y180-R196 HydrophobicContact CE1-CG 4.01Å; Y180-R196 HydrophobicContact CE2-CG 4.11Å; Y180-R196 VanDerWaalsContact CZ-CD 3.42Å; Y180-R196 VanDerWaalsContact OH-CD 3.24Å; Y180-R196 WeakPolarHBondContact OH-CD 3.29Å; Y180-T229 HydrophobicContact CD1-CG2 3.96Å; Y180-T229 HydrophobicContact CD2-CG2 4.49Å; Y180-T229 HydrophobicContact CE1-CG2 4.44Å; Y180-T229 HydrophobicContact CG-CG2 3.97Å; Y180-F231 HydrophobicContact CD1-CZ 4.04Å; Y180-F231 HydrophobicContact CG-CZ 4.46Å; Y180-V253 HydrophobicContact CD1-CG2 4.4Å; Y180-V253 HydrophobicContact CE1-CG2 4.01Å; Y180-K255 WeakPolarHBondContact OH-CA 3.47Å; Y180-K255 PolarHBondContact OH-O 3.36Å; Y180-W268 HydrophobicContact CD1-CH2 4.18Å; Y180-W268 HydrophobicContact CD1-CZ2 4.41Å; Y180-W268 AromaticContact CE1-CH2 3.59Å; Y180-W268 HydrophobicContact CE1-CH2 3.59Å; Y180-W268 HydrophobicContact CE1-CZ2 4.26Å; Y180-W268 HydrophobicContact CE1-CZ3 4.4Å
181	A	97.8	Very high	93.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141	179.8	0	0	0	0	0	110.4	A159 T170 A171 I194 Y195	A159-A181 WeakPolarHBondContact O-CB 3.45Å; T170-A181 CarbonylContact O-C 3.59Å; T170-A181 WeakPolarHBondContact O-CA 3.28Å; A171-A181 HydrophobicContact CB-CB 4.2Å; A181-I194 WeakPolarHBondContact O-CA 3.41Å; A181-Y195 PolarHBondContact N-O 3.28Å; A181-Y195 PolarHBondContact O-N 2.03Å
182	A	97.8	Very high	93.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	107.4	172.2	0	0	0	0	0	109.1	S169 T170 A193 I194 F219 F231	S169-A182 VanDerWaalsContact CA-O 3.3Å; S169-A182 WeakPolarHBondContact CA-O 3.36Å; S169-A182 WeakPolarHBondContact CB-O 3.32Å; T170-A182 HydrophobicContact CG2-CB 3.82Å; T170-A182 PolarHBondContact N-O 3.42Å; T170-A182 VanDerWaalsContact N-O 3.11Å; T170-A182 PolarHBondContact O-N 2.98Å; A182-A193 VanDerWaalsContact CA-O 3.27Å; A182-A193 WeakPolarHBondContact CA-O 3.45Å; A182-I194 HydrophobicContact CB-CG1 3.77Å; A182-F219 VanDerWaalsContact C-CD2 3.46Å; A182-F219 HydrophobicContact CB-CB 4.25Å; A182-F219 HydrophobicContact CB-CD1 3.45Å; A182-F219 VanDerWaalsContact CB-CD1 3.45Å; A182-F219 HydrophobicContact CB-CD2 4.06Å; A182-F219 HydrophobicContact CB-CE1 3.67Å; A182-F219 HydrophobicContact CB-CE2 4.24Å; A182-F219 HydrophobicContact CB-CG 3.66Å; A182-F219 HydrophobicContact CB-CZ 4.04Å; A182-F219 VanDerWaalsContact O-CD2 3.3Å; A182-F219 WeakPolarHBondContact O-CD2 3.26Å; A182-F231 HydrophobicContact CB-CD1 3.88Å; A182-F231 HydrophobicContact CB-CE1 4.16Å
183	T	97	Very high	93.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	178.2	-171.8	-166.4	0	0	0	0	111.5	P162 S169 A193	P162-T183 VanDerWaalsContact CA-OG1 3.29Å; P162-T183 WeakPolarHBondContact CA-OG1 3.43Å; P162-T183 WeakPolarHBondContact CB-OG1 3.38Å; S169-T183 VanDerWaalsContact OG-CB 3.29Å; S169-T183 WeakPolarHBondContact OG-CB 3.42Å; S169-T183 PolarHBondContact OG-OG1 2.94Å; T183-A193 PolarHBondContact N-O 3.28Å; T183-A193 PolarHBondContact O-N 3.36Å
184	A	94.2	Very high	93.5	Very high	10 Å²	10	32.8 Å²	32.8	8%	0.083	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.1	169.6	0	0	0	0	0	111
185	M	92.4	Very high	93.7	Very high	20 Å²	20	34.2 Å²	34.2	10%	0.099	21%	0.211	C	C	.	.			trans	-86.3	-12.9	179	-78	-177.2	-64.7	0	0	114.6	A159 Y163 D191 A193	A159-M185 HydrophobicContact CB-CG 3.44Å; A159-M185 VanDerWaalsContact CB-CG 3.44Å; A159-M185 HydrophobicContact CB-SD 3.57Å; A159-M185 VanDerWaalsContact CB-SD 3.57Å; Y163-M185 VanDerWaalsContact CE2-C 3.49Å; Y163-M185 WeakPolarHBondContact CE2-O 3.28Å; Y163-M185 PolarHBondContact OH-O 3.4Å; M185-D191 WeakPolarHBondContact CE-OD2 3.26Å; M185-D191 PolarHBondContact N-O 2.78Å; M185-A193 HydrophobicContact CE-CB 3.13Å; M185-A193 HydrophobicContact SD-CB 4.01Å
186	D	91.7	Very high	94.2	Very high	31 Å²	31	28.8 Å²	28.8	17%	0.166	17%	0.166	C	C	.	.	S	Bend	trans	-120.1	157.9	-175.8	70.1	-28.3	0	0	0	112.6	P188 G189 R190 D191	D186-P188 WeakPolarHBondContact OD2-CD 3.15Å; D186-P188 WeakPolarHBondContact OD2-CG 3.48Å; D186-G189 PolarHBondContact O-N 3Å; D186-G189 VanDerWaalsContact OD1-C 3.29Å; D186-G189 VanDerWaalsContact OD1-CA 3.27Å; D186-G189 WeakPolarHBondContact OD1-CA 3.43Å; D186-G189 PolarHBondContact OD1-N 2.92Å; D186-R190 PolarHBondContact OD1-N 2.94Å; D186-R190 WeakPolarHBondContact OD2-CB 3.44Å; D186-R190 PolarHBondContact OD2-N 2.71Å; D186-R190 VanDerWaalsContact OD2-N 3.16Å; D186-D191 HydrophobicContact CB-CB 4.31Å; D186-D191 PolarHBondContact OD1-N 3.43Å; D186-D191 PolarHBondContact OD2-N 3.43Å
187	F	91.6	Very high	94.7	Very high	59 Å²	59	26.5 Å²	26.5	26%	0.259	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-45.1	179.4	177.1	-92.4	0	0	0	114.5	K107 K109 F136 Y163	K107-F187 HydrophobicContact CB-CE2 4.29Å; K107-F187 HydrophobicContact CB-CZ 3.81Å; K107-F187 HydrophobicContact CD-CD2 4.1Å; K107-F187 HydrophobicContact CD-CE2 3.61Å; K107-F187 HydrophobicContact CD-CZ 3.91Å; K107-F187 HydrophobicContact CG-CZ 4.44Å; K109-F187 HydrophobicContact CD-CZ 4.36Å; K109-F187 HydrophobicContact CG-CE2 4.42Å; K109-F187 HydrophobicContact CG-CZ 3.92Å; F136-F187 HydrophobicContact CB-CD2 3.59Å; F136-F187 HydrophobicContact CB-CE2 3.45Å; F136-F187 VanDerWaalsContact CB-CE2 3.45Å; F136-F187 AromaticContact CD1-CD2 3.67Å; F136-F187 HydrophobicContact CD1-CD2 3.67Å; F136-F187 AromaticContact CD1-CE2 3.37Å; F136-F187 HydrophobicContact CD1-CE2 3.37Å; F136-F187 HydrophobicContact CD1-CZ 4.11Å; F136-F187 HydrophobicContact CD2-CE2 4.33Å; F136-F187 HydrophobicContact CE1-CE2 4.19Å; F136-F187 AromaticContact CG-CD2 3.95Å; F136-F187 HydrophobicContact CG-CD2 3.95Å; F136-F187 AromaticContact CG-CE2 3.48Å; F136-F187 HydrophobicContact CG-CE2 3.48Å; F136-F187 VanDerWaalsContact CG-CE2 3.48Å; F136-F187 HydrophobicContact CG-CZ 4.43Å; Y163-F187 HydrophobicContact CD1-CB 4.33Å; Y163-F187 HydrophobicContact CD1-CD2 4.48Å
188	P	90.8	Very high	94.7	Very high	75 Å²	75	28 Å²	28	49%	0.487	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.1	-179.3	33.9	-36.3	0	0	0	114.2	D186 R190	D186-P188 WeakPolarHBondContact OD2-CD 3.15Å; D186-P188 WeakPolarHBondContact OD2-CG 3.48Å; P188-R190 HydrophobicContact CB-CG 4.27Å; P188-R190 HydrophobicContact CG-CG 4.08Å
189	G	90.1	Very high	94.4	Very high	30 Å²	30	28.6 Å²	28.6	31%	0.309	16%	0.157	S	C	.	.	S	Bend	trans	79.1	22.6	-178.5	0	0	0	0	0	115.8	D186	D186-G189 PolarHBondContact O-N 3Å; D186-G189 VanDerWaalsContact OD1-C 3.29Å; D186-G189 VanDerWaalsContact OD1-CA 3.27Å; D186-G189 WeakPolarHBondContact OD1-CA 3.43Å; D186-G189 PolarHBondContact OD1-N 2.92Å
190	R	92.7	Very high	94.1	Very high	194 Å²	194	36.3 Å²	36.3	73%	0.732	20%	0.197	S	C	*	.			trans	-90	-15.6	-178.5	-63.2	-179	178.4	-175.3	0.1	113.5	D186 P188 P192	D186-R190 PolarHBondContact OD1-N 2.94Å; D186-R190 WeakPolarHBondContact OD2-CB 3.44Å; D186-R190 PolarHBondContact OD2-N 2.71Å; D186-R190 VanDerWaalsContact OD2-N 3.16Å; P188-R190 HydrophobicContact CB-CG 4.27Å; P188-R190 HydrophobicContact CG-CG 4.08Å; R190-P192 WeakPolarHBondContact O-CD 3.48Å
191	D	94.9	Very high	93.8	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.043	21%	0.21	C	C	.	.	S	Bend	trans	-110	76.6	176.6	-169.2	10.9	0	0	0	110.9	M185 D186 R205 Q208 Y209	M185-D191 WeakPolarHBondContact CE-OD2 3.26Å; M185-D191 PolarHBondContact N-O 2.78Å; D186-D191 HydrophobicContact CB-CB 4.31Å; D186-D191 PolarHBondContact OD1-N 3.43Å; D186-D191 PolarHBondContact OD2-N 3.43Å; D191-R205 VanDerWaalsContact CG-NH2 3.33Å; D191-R205 IonicContact OD1-NH2 2.88Å; D191-R205 PolarHBondContact OD1-NH2 3.39Å; D191-R205 IonicContact OD2-CZ 3.73Å; D191-R205 IonicContact OD2-NH1 3.82Å; D191-R205 IonicContact OD2-NH2 3.81Å; D191-R205 PolarHBondContact OD2-NH2 3.39Å; D191-Q208 WeakPolarHBondContact OD1-CG 3.49Å; D191-Q208 WeakPolarHBondContact OD2-CG 3.33Å; D191-Q208 PolarHBondContact OD2-NE2 3.48Å; D191-Y209 HydrophobicContact CB-CE1 4.03Å
192	P	96.1	Very high	93.5	Very high	19 Å²	19	41 Å²	41	12%	0.123	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	139	173.3	32.2	-35.7	0	0	0	110.3	R190 L214 P217 F219	R190-P192 WeakPolarHBondContact O-CD 3.48Å; P192-L214 HydrophobicContact CB-CD1 4.4Å; P192-L214 HydrophobicContact CG-CB 4.12Å; P192-P217 HydrophobicContact CB-CG 3.42Å; P192-P217 VanDerWaalsContact CB-CG 3.42Å; P192-P217 HydrophobicContact CG-CG 3.93Å; P192-F219 HydrophobicContact CB-CE2 4.29Å; P192-F219 HydrophobicContact CB-CZ 4.31Å
193	A	96.8	Very high	93.3	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.1	170.3	0	0	0	0	0	114.5	A182 T183 M185 T206	A182-A193 VanDerWaalsContact CA-O 3.27Å; A182-A193 WeakPolarHBondContact CA-O 3.45Å; T183-A193 PolarHBondContact N-O 3.28Å; T183-A193 PolarHBondContact O-N 3.36Å; M185-A193 HydrophobicContact CE-CB 3.13Å; M185-A193 HydrophobicContact SD-CB 4.01Å; A193-T206 WeakPolarHBondContact CA-OG1 3.31Å; A193-T206 WeakPolarHBondContact CB-OG1 3.33Å
194	I	97.8	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.1	158.3	-66.9	161.6	0	0	0	106.7	A181 A182 R205 T206 L214 F219 F231 F233 W268 F271	A181-I194 WeakPolarHBondContact O-CA 3.41Å; A182-I194 HydrophobicContact CB-CG1 3.77Å; I194-R205 WeakPolarHBondContact O-CA 3.48Å; I194-T206 HydrophobicContact CB-CG2 3.82Å; I194-T206 PolarHBondContact N-OG1 2.85Å; I194-T206 PolarHBondContact O-N 2.8Å; I194-T206 VanDerWaalsContact O-N 3.16Å; I194-L214 HydrophobicContact CD1-CD2 4.46Å; I194-F219 HydrophobicContact CD1-CE1 4.41Å; I194-F219 HydrophobicContact CG1-CE1 4.03Å; I194-F231 HydrophobicContact CD1-CB 4.06Å; I194-F231 HydrophobicContact CD1-CD1 4.39Å; I194-F231 HydrophobicContact CD1-CD2 4.09Å; I194-F231 HydrophobicContact CD1-CG 3.91Å; I194-F231 HydrophobicContact CG1-CD1 4.19Å; I194-F231 HydrophobicContact CG1-CE1 4.49Å; I194-F231 HydrophobicContact CG1-CG 4.21Å; I194-F231 HydrophobicContact CG2-CD1 4.17Å; I194-F231 HydrophobicContact CG2-CD2 3.92Å; I194-F231 HydrophobicContact CG2-CE1 3.72Å; I194-F231 HydrophobicContact CG2-CE2 3.45Å; I194-F231 VanDerWaalsContact CG2-CE2 3.45Å; I194-F231 HydrophobicContact CG2-CG 4.25Å; I194-F231 HydrophobicContact CG2-CZ 3.33Å; I194-F233 HydrophobicContact CD1-CE1 4.39Å; I194-W268 PolarHBondContact O-NE1 2.79Å; I194-F271 HydrophobicContact CD1-CD2 4.38Å; I194-F271 HydrophobicContact CD1-CE2 3.56Å; I194-F271 HydrophobicContact CD1-CZ 4.29Å
195	Y	97.3	Very high	93.3	Very high	40 Å²	40	45.5 Å²	45.5	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.1	-168.7	-178.4	-121.2	0	0	0	111	A159 Y180 A181 P203 L204 R205	A159-Y195 HydrophobicContact CB-CD1 3.38Å; A159-Y195 HydrophobicContact CB-CE1 3.74Å; A159-Y195 HydrophobicContact CB-CG 3.84Å; Y180-Y195 CarbonylContact C-O 3.57Å; Y180-Y195 WeakPolarHBondContact CA-O 3.04Å; A181-Y195 PolarHBondContact N-O 3.28Å; A181-Y195 PolarHBondContact O-N 2.03Å; Y195-P203 HydrophobicContact CE2-CB 3.92Å; Y195-P203 WeakPolarHBondContact OH-CB 3.44Å; Y195-L204 CarbonylContact C-O 3.54Å; Y195-L204 VanDerWaalsContact CA-O 3.31Å; Y195-L204 WeakPolarHBondContact CA-O 3.22Å; Y195-L204 VanDerWaalsContact CD2-O 3.26Å; Y195-L204 WeakPolarHBondContact CD2-O 3.07Å; Y195-R205 HydrophobicContact CD2-CB 3.98Å
196	R	96.9	Very high	93.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.1	166.8	-179.7	-176	71.1	-156.3	-2.8	109.5	E178 L179 Y180 P202 P203 L204 K255 D257 W268	E178-R196 HydrophobicContact CB-CG 4.39Å; L179-R196 CarbonylContact O-C 3.54Å; L179-R196 VanDerWaalsContact O-CA 3.32Å; L179-R196 WeakPolarHBondContact O-CA 3.3Å; Y180-R196 HydrophobicContact CD1-CB 4.06Å; Y180-R196 HydrophobicContact CD1-CG 4.33Å; Y180-R196 HydrophobicContact CD2-CG 4.46Å; Y180-R196 HydrophobicContact CE1-CB 3.98Å; Y180-R196 HydrophobicContact CE1-CG 4.01Å; Y180-R196 HydrophobicContact CE2-CG 4.11Å; Y180-R196 VanDerWaalsContact CZ-CD 3.42Å; Y180-R196 VanDerWaalsContact OH-CD 3.24Å; Y180-R196 WeakPolarHBondContact OH-CD 3.29Å; R196-P202 PolarHBondContact NE-O 2.84Å; R196-P202 PolarHBondContact NH2-O 3.01Å; R196-P203 WeakPolarHBondContact O-CA 3.31Å; R196-P203 WeakPolarHBondContact O-CB 3.29Å; R196-L204 PolarHBondContact N-O 3.31Å; R196-L204 PolarHBondContact O-N 3.16Å; R196-K255 PolarHBondContact NH1-O 2.8Å; R196-D257 PolarHBondContact NH1-O 3.36Å; R196-D257 PolarHBondContact NH2-O 3.18Å; R196-W268 HydrophobicContact CB-CH2 3.41Å; R196-W268 VanDerWaalsContact CB-CH2 3.41Å; R196-W268 HydrophobicContact CB-CZ2 3.52Å; R196-W268 HydrophobicContact CG-CH2 4.3Å
197	S	94.7	Very high	93.6	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	178.8	172.2	63.6	0	0	0	0	111	R160 L179	R160-S197 PolarHBondContact NE-OG 3.26Å; R160-S197 VanDerWaalsContact NH2-CB 3.34Å; R160-S197 PolarHBondContact NH2-OG 2.89Å; L179-S197 PolarHBondContact N-O 2.97Å; L179-S197 PolarHBondContact O-N 2.87Å
198	L	91.3	Very high	93.7	Very high	61 Å²	61	43.6 Å²	43.6	32%	0.319	24%	0.242	S	C	.	.	S	Bend	trans	60.4	179.8	-172.1	-45.8	-176	0	0	0	111.4	F129 I155 G177 L179	F129-L198 HydrophobicContact CD2-CD1 4.27Å; F129-L198 HydrophobicContact CE2-CD1 3.79Å; F129-L198 HydrophobicContact CZ-CD1 4.01Å; I155-L198 HydrophobicContact CD1-CD2 3.78Å; G177-L198 WeakPolarHBondContact O-CB 3.41Å; L179-L198 HydrophobicContact CB-CB 4.33Å; L179-L198 HydrophobicContact CB-CD1 3.79Å; L179-L198 HydrophobicContact CB-CG 4Å; L179-L198 HydrophobicContact CD2-CD1 4.24Å
199	G	88	Confident	93.7	Very high	45 Å²	45	47.5 Å²	47.5	46%	0.464	25%	0.248	S	C	.	.	S	Bend	trans	67	-163.1	-175.8	0	0	0	0	0	113.8	G177	G177-G199 PolarHBondContact O-N 2.87Å
200	I	89.2	Confident	93.8	Very high	162 Å²	162	48.8 Å²	48.8	83%	0.831	25%	0.248	S	C	*	.	S	Bend	trans	-92.4	-25.6	-170.7	-57.2	169.6	0	0	0	111.6
201	L	90.8	Very high	93.8	Very high	52 Å²	52	42.3 Å²	42.3	27%	0.272	23%	0.232	S	C	.	.	S	Bend	trans	-78.5	151.6	-176	-64.6	176.7	0	0	0	111.9	K255 I258	L201-K255 WeakPolarHBondContact CD1-O 3.44Å; L201-I258 HydrophobicContact CD2-CG2 4.4Å
202	P	91.3	Very high	93.6	Very high	49 Å²	49	45.7 Å²	45.7	32%	0.318	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-61.4	148.8	178.8	25.6	-34.5	0	0	0	111.3	R196 L204 I258	R196-P202 PolarHBondContact NE-O 2.84Å; R196-P202 PolarHBondContact NH2-O 3.01Å; P202-L204 PolarHBondContact O-N 3.33Å; P202-I258 HydrophobicContact CG-CB 4.17Å
203	P	94.2	Very high	93.6	Very high	64 Å²	64	45 Å²	45	42%	0.416	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66.7	135.3	174.6	28.7	-33.5	0	0	0	110.2	Y195 R196	Y195-P203 HydrophobicContact CE2-CB 3.92Å; Y195-P203 WeakPolarHBondContact OH-CB 3.44Å; R196-P203 WeakPolarHBondContact O-CA 3.31Å; R196-P203 WeakPolarHBondContact O-CB 3.29Å
204	L	96.1	Very high	93.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.6	179.1	-66.1	-179.7	0	0	0	110.7	Y195 R196 P202 D257 W268	Y195-L204 CarbonylContact C-O 3.54Å; Y195-L204 VanDerWaalsContact CA-O 3.31Å; Y195-L204 WeakPolarHBondContact CA-O 3.22Å; Y195-L204 VanDerWaalsContact CD2-O 3.26Å; Y195-L204 WeakPolarHBondContact CD2-O 3.07Å; R196-L204 PolarHBondContact N-O 3.31Å; R196-L204 PolarHBondContact O-N 3.16Å; P202-L204 PolarHBondContact O-N 3.33Å; L204-D257 HydrophobicContact CD1-CB 3.97Å; L204-D257 VanDerWaalsContact CD1-O 3.3Å; L204-D257 WeakPolarHBondContact CD1-O 3.35Å; L204-W268 HydrophobicContact CB-CD2 3.79Å; L204-W268 HydrophobicContact CB-CE3 3.92Å; L204-W268 HydrophobicContact CB-CG 4.46Å; L204-W268 HydrophobicContact CB-CH2 3.91Å; L204-W268 HydrophobicContact CB-CZ2 3.79Å; L204-W268 HydrophobicContact CB-CZ3 3.99Å; L204-W268 HydrophobicContact CD1-CD2 4.21Å; L204-W268 HydrophobicContact CD1-CE3 3.54Å; L204-W268 HydrophobicContact CD1-CH2 4.25Å; L204-W268 HydrophobicContact CD1-CZ3 3.58Å; L204-W268 HydrophobicContact CG-CE3 4.4Å; L204-W268 HydrophobicContact CG-CZ3 4.39Å
205	R	95.5	Very high	93.4	Very high	42 Å²	42	47.2 Å²	47.2	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161.5	176.5	62.8	174.6	-71	165.5	-4.5	113.3	D191 I194 Y195 Q208 D266 T267 W268	D191-R205 VanDerWaalsContact CG-NH2 3.33Å; D191-R205 IonicContact OD1-NH2 2.88Å; D191-R205 PolarHBondContact OD1-NH2 3.39Å; D191-R205 IonicContact OD2-CZ 3.73Å; D191-R205 IonicContact OD2-NH1 3.82Å; D191-R205 IonicContact OD2-NH2 3.81Å; D191-R205 PolarHBondContact OD2-NH2 3.39Å; I194-R205 WeakPolarHBondContact O-CA 3.48Å; Y195-R205 HydrophobicContact CD2-CB 3.98Å; R205-Q208 VanDerWaalsContact NH2-CG 3.3Å; R205-D266 PolarHBondContact N-O 2.85Å; R205-T267 HydrophobicContact CG-CG2 4.5Å; R205-T267 WeakPolarHBondContact O-CA 3.28Å; R205-T267 WeakPolarHBondContact O-CB 3.07Å; R205-W268 PolarHBondContact O-N 2.87Å
206	T	96.3	Very high	93.3	Very high	1 Å²	1	52 Å²	52	1%	0.006	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-69.9	154	164.4	49.2	0	0	0	0	111.2	A193 I194 Q208 W213 L214 F271	A193-T206 WeakPolarHBondContact CA-OG1 3.31Å; A193-T206 WeakPolarHBondContact CB-OG1 3.33Å; I194-T206 HydrophobicContact CB-CG2 3.82Å; I194-T206 PolarHBondContact N-OG1 2.85Å; I194-T206 PolarHBondContact O-N 2.8Å; I194-T206 VanDerWaalsContact O-N 3.16Å; T206-Q208 PolarHBondContact O-N 2.75Å; T206-W213 HydrophobicContact CG2-CE3 3.75Å; T206-W213 HydrophobicContact CG2-CZ3 4.08Å; T206-L214 HydrophobicContact CG2-CD1 4.13Å; T206-L214 WeakPolarHBondContact OG1-CD1 3.37Å; T206-F271 HydrophobicContact CG2-CD2 4.31Å; T206-F271 HydrophobicContact CG2-CE2 4.35Å
207	A	93.8	Very high	93.3	Very high	23 Å²	23	53 Å²	53	19%	0.19	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-58	127.9	-179.9	0	0	0	0	0	111.9	N210 W213	A207-N210 HydrophobicContact CB-CB 3.98Å; A207-W213 HydrophobicContact CB-CD2 3.7Å; A207-W213 HydrophobicContact CB-CE3 4.3Å; A207-W213 HydrophobicContact CB-CG 3.9Å; A207-W213 HydrophobicContact CB-CZ2 4.02Å
208	Q	92.8	Very high	93.4	Very high	46 Å²	46	54.8 Å²	54.8	22%	0.215	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	137.7	-177.6	-164.3	179.7	33.7	0	0	111.7	D191 R205 T206 N210	D191-Q208 WeakPolarHBondContact OD1-CG 3.49Å; D191-Q208 WeakPolarHBondContact OD2-CG 3.33Å; D191-Q208 PolarHBondContact OD2-NE2 3.48Å; R205-Q208 VanDerWaalsContact NH2-CG 3.3Å; T206-Q208 PolarHBondContact O-N 2.75Å; Q208-N210 PolarHBondContact O-N 3.45Å; Q208-N210 VanDerWaalsContact O-N 3.1Å
209	Y	91	Very high	93.7	Very high	157 Å²	157	52.2 Å²	52.2	62%	0.616	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	28.1	177	-50.5	-55.4	0	0	0	114.9	D191	D191-Y209 HydrophobicContact CB-CE1 4.03Å
210	N	92.1	Very high	94.2	Very high	56 Å²	56	51.4 Å²	51.4	30%	0.299	27%	0.265	S	S	.	.			trans	-108.9	103.6	179.1	-169	-30.4	0	0	0	111.1	A207 Q208 K212 W213 L214	A207-N210 HydrophobicContact CB-CB 3.98Å; Q208-N210 PolarHBondContact O-N 3.45Å; Q208-N210 VanDerWaalsContact O-N 3.1Å; N210-K212 PolarHBondContact O-N 3.05Å; N210-K212 WeakPolarHBondContact OD1-CB 3.05Å; N210-K212 PolarHBondContact OD1-N 3.17Å; N210-W213 HydrophobicContact CB-CB 4.47Å; N210-W213 HydrophobicContact CB-CG 4.36Å; N210-W213 WeakPolarHBondContact O-CB 3.01Å; N210-W213 PolarHBondContact O-N 3.07Å; N210-L214 PolarHBondContact O-N 2.8Å
211	S	92.2	Very high	94.5	Very high	59 Å²	59	44.3 Å²	44.3	41%	0.413	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.4	-178.6	58.5	0	0	0	0	114	W213 L214 V238	S211-W213 VanDerWaalsContact C-N 3.27Å; S211-W213 PolarHBondContact O-N 2.87Å; S211-L214 WeakPolarHBondContact CA-O 3.36Å; S211-V238 WeakPolarHBondContact O-CG1 3.39Å
212	K	91.9	Very high	94.9	Very high	79 Å²	79	42.4 Å²	42.4	34%	0.343	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.8	173.5	-65	-172.8	175.5	-173.9	0	111.4	N210 K273	N210-K212 PolarHBondContact O-N 3.05Å; N210-K212 WeakPolarHBondContact OD1-CB 3.05Å; N210-K212 PolarHBondContact OD1-N 3.17Å; K212-K273 WeakPolarHBondContact O-CE 2.98Å; K212-K273 PolarHBondContact O-NZ 2.71Å
213	W	94.7	Very high	95.1	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.015	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-59	176.8	-73.4	63.1	0	0	0	111.1	T206 A207 N210 S211 L264 W268 F271 K273 I380	T206-W213 HydrophobicContact CG2-CE3 3.75Å; T206-W213 HydrophobicContact CG2-CZ3 4.08Å; A207-W213 HydrophobicContact CB-CD2 3.7Å; A207-W213 HydrophobicContact CB-CE3 4.3Å; A207-W213 HydrophobicContact CB-CG 3.9Å; A207-W213 HydrophobicContact CB-CZ2 4.02Å; N210-W213 HydrophobicContact CB-CB 4.47Å; N210-W213 HydrophobicContact CB-CG 4.36Å; N210-W213 WeakPolarHBondContact O-CB 3.01Å; N210-W213 PolarHBondContact O-N 3.07Å; S211-W213 VanDerWaalsContact C-N 3.27Å; S211-W213 PolarHBondContact O-N 2.87Å; W213-L264 HydrophobicContact CZ2-CD2 4.2Å; W213-W268 HydrophobicContact CH2-CB 4.47Å; W213-W268 VanDerWaalsContact CH2-O 3.29Å; W213-W268 WeakPolarHBondContact CH2-O 3.42Å; W213-W268 HydrophobicContact CZ3-CB 4.16Å; W213-F271 HydrophobicContact CB-CE1 4.48Å; W213-F271 HydrophobicContact CD2-CD1 4.18Å; W213-F271 HydrophobicContact CE3-CB 4.35Å; W213-F271 AromaticContact CE3-CD1 3.5Å; W213-F271 HydrophobicContact CE3-CD1 3.5Å; W213-F271 VanDerWaalsContact CE3-CD1 3.5Å; W213-F271 HydrophobicContact CE3-CE1 4.03Å; W213-F271 HydrophobicContact CE3-CG 4.06Å; W213-F271 HydrophobicContact CH2-CB 4.48Å; W213-F271 HydrophobicContact CZ3-CB 3.83Å; W213-F271 AromaticContact CZ3-CD1 3.87Å; W213-F271 HydrophobicContact CZ3-CD1 3.87Å; W213-F271 HydrophobicContact CZ3-CG 4.03Å; W213-K273 WeakPolarHBondContact O-CE 3.47Å; W213-K273 PolarHBondContact O-NZ 2.85Å; W213-I380 HydrophobicContact CD2-CD1 3.97Å; W213-I380 VanDerWaalsContact CE2-CD1 3.5Å; W213-I380 HydrophobicContact CG-CD1 3.9Å; W213-I380 HydrophobicContact CZ2-CD1 4.17Å
214	L	96.2	Very high	95.2	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.058	21%	0.21	C	C	.	.			trans	-144.1	127.5	-178.2	-67.9	174.3	0	0	0	109.3	P192 I194 T206 N210 S211 P217 F219 F233 F271	P192-L214 HydrophobicContact CB-CD1 4.4Å; P192-L214 HydrophobicContact CG-CB 4.12Å; I194-L214 HydrophobicContact CD1-CD2 4.46Å; T206-L214 HydrophobicContact CG2-CD1 4.13Å; T206-L214 WeakPolarHBondContact OG1-CD1 3.37Å; N210-L214 PolarHBondContact O-N 2.8Å; S211-L214 WeakPolarHBondContact CA-O 3.36Å; L214-P217 HydrophobicContact CB-CG 4.11Å; L214-P217 HydrophobicContact CD2-CB 4.34Å; L214-P217 HydrophobicContact CD2-CG 4.24Å; L214-F219 HydrophobicContact CD1-CZ 4.12Å; L214-F219 HydrophobicContact CD2-CE1 4.31Å; L214-F233 HydrophobicContact CD2-CE1 4.34Å; L214-F233 HydrophobicContact CD2-CE2 3.79Å; L214-F233 HydrophobicContact CD2-CZ 3.66Å; L214-F271 HydrophobicContact CD2-CZ 4.38Å
215	N	95.1	Very high	95.1	Very high	37 Å²	37	43 Å²	43	20%	0.198	22%	0.215	C	C	.	.	S	Bend	trans	-125.6	92.8	-177.6	-171.9	22.7	0	0	0	111.7	E235 N236 V238	N215-E235 PolarHBondContact N-OE2 2.86Å; N215-E235 WeakPolarHBondContact O-CB 3.35Å; N215-N236 HydrophobicContact CB-CB 4.43Å; N215-N236 WeakPolarHBondContact CB-O 3.5Å; N215-N236 VanDerWaalsContact ND2-CB 3.29Å; N215-N236 WeakPolarHBondContact ND2-CB 3.44Å; N215-N236 PolarHBondContact ND2-O 3.26Å; N215-N236 PolarHBondContact O-N 3.25Å; N215-V238 HydrophobicContact CB-CG1 4.06Å; N215-V238 WeakPolarHBondContact ND2-CG1 3.07Å
216	E	94.7	Very high	95	Very high	140 Å²	140	43.9 Å²	43.9	65%	0.654	24%	0.236	S	C	*	.	S	Bend	trans	48.5	53.6	-174.1	-60.8	179.1	178.8	0	0	112.4	N236	E216-N236 PolarHBondContact OE2-ND2 3.22Å
217	P	96.8	Very high	94.8	Very high	21 Å²	21	48.4 Å²	48.4	14%	0.136	26%	0.261	C	S	.	.			trans	-72.6	150	-175.9	34.8	-37.3	0	0	0	111.5	P192 L214 F219 F233 R234 E235	P192-P217 HydrophobicContact CB-CG 3.42Å; P192-P217 VanDerWaalsContact CB-CG 3.42Å; P192-P217 HydrophobicContact CG-CG 3.93Å; L214-P217 HydrophobicContact CB-CG 4.11Å; L214-P217 HydrophobicContact CD2-CB 4.34Å; L214-P217 HydrophobicContact CD2-CG 4.24Å; P217-F219 HydrophobicContact CB-CE1 4.05Å; P217-F219 HydrophobicContact CB-CE2 4.42Å; P217-F219 HydrophobicContact CB-CZ 4Å; P217-F219 HydrophobicContact CG-CE1 4.04Å; P217-F219 HydrophobicContact CG-CE2 3.83Å; P217-F219 HydrophobicContact CG-CZ 3.49Å; P217-F219 VanDerWaalsContact CG-CZ 3.49Å; P217-F233 HydrophobicContact CB-CD2 3.79Å; P217-F233 HydrophobicContact CB-CE2 4.3Å; P217-F233 HydrophobicContact CB-CG 4.46Å; P217-R234 CarbonylContact C-O 3.54Å; P217-R234 VanDerWaalsContact CA-O 3.29Å; P217-R234 WeakPolarHBondContact CA-O 3.42Å; P217-E235 HydrophobicContact CB-CB 4.19Å
218	N	97	Very high	94.9	Very high	42 Å²	42	47.9 Å²	47.9	23%	0.225	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	105.8	168.2	-170.6	-58.7	0	0	0	107.7	N168 F233 R234	N168-N218 WeakPolarHBondContact CB-OD1 3.46Å; N168-N218 VanDerWaalsContact ND2-CG 3.31Å; N168-N218 PolarHBondContact ND2-ND2 2.03Å; N168-N218 VanDerWaalsContact ND2-ND2 3.11Å; N168-N218 PolarHBondContact ND2-OD1 3.41Å; N218-F233 VanDerWaalsContact O-CA 3.3Å; N218-F233 WeakPolarHBondContact O-CA 3.34Å; N218-F233 VanDerWaalsContact O-CB 3.27Å; N218-F233 WeakPolarHBondContact O-CB 3.27Å; N218-R234 HydrophobicContact CB-CG 3.88Å; N218-R234 VanDerWaalsContact CG-CZ 3.46Å; N218-R234 PolarHBondContact N-O 2.84Å; N218-R234 PolarHBondContact ND2-NH2 2.7Å; N218-R234 PolarHBondContact O-N 2.01Å; N218-R234 VanDerWaalsContact O-N 3.07Å; N218-R234 PolarHBondContact OD1-NH1 2.7Å; N218-R234 VanDerWaalsContact OD1-NH1 3.12Å; N218-R234 PolarHBondContact OD1-NH2 3.28Å
219	F	98.1	Very high	95	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.5	-173	-58.2	-72.7	0	0	0	111.5	N168 T170 A182 P192 I194 L214 P217 F233	N168-F219 WeakPolarHBondContact CB-O 3.41Å; T170-F219 HydrophobicContact CG2-CB 4.16Å; A182-F219 VanDerWaalsContact C-CD2 3.46Å; A182-F219 HydrophobicContact CB-CB 4.25Å; A182-F219 HydrophobicContact CB-CD1 3.45Å; A182-F219 VanDerWaalsContact CB-CD1 3.45Å; A182-F219 HydrophobicContact CB-CD2 4.06Å; A182-F219 HydrophobicContact CB-CE1 3.67Å; A182-F219 HydrophobicContact CB-CE2 4.24Å; A182-F219 HydrophobicContact CB-CG 3.66Å; A182-F219 HydrophobicContact CB-CZ 4.04Å; A182-F219 VanDerWaalsContact O-CD2 3.3Å; A182-F219 WeakPolarHBondContact O-CD2 3.26Å; P192-F219 HydrophobicContact CB-CE2 4.29Å; P192-F219 HydrophobicContact CB-CZ 4.31Å; I194-F219 HydrophobicContact CD1-CE1 4.41Å; I194-F219 HydrophobicContact CG1-CE1 4.03Å; L214-F219 HydrophobicContact CD1-CZ 4.12Å; L214-F219 HydrophobicContact CD2-CE1 4.31Å; P217-F219 HydrophobicContact CB-CE1 4.05Å; P217-F219 HydrophobicContact CB-CE2 4.42Å; P217-F219 HydrophobicContact CB-CZ 4Å; P217-F219 HydrophobicContact CG-CE1 4.04Å; P217-F219 HydrophobicContact CG-CE2 3.83Å; P217-F219 HydrophobicContact CG-CZ 3.49Å; P217-F219 VanDerWaalsContact CG-CZ 3.49Å; F219-F233 HydrophobicContact CD1-CB 3.81Å; F219-F233 HydrophobicContact CD1-CD1 4.22Å; F219-F233 HydrophobicContact CD1-CG 4.12Å; F219-F233 HydrophobicContact CE1-CB 4.47Å; F219-F233 HydrophobicContact CE1-CD1 4.36Å; F219-F233 HydrophobicContact CE1-CG 4.34Å
220	V	97.5	Very high	95.4	Very high	28 Å²	28	38.6 Å²	38.6	17%	0.17	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-53.1	-172.7	173	0	0	0	0	111.1	F232 L291 Q292 T294	V220-F232 WeakPolarHBondContact CB-O 3.38Å; V220-F232 PolarHBondContact N-O 2.93Å; V220-L291 HydrophobicContact CB-CD2 4.14Å; V220-L291 HydrophobicContact CG1-CD2 4.28Å; V220-L291 HydrophobicContact CG1-CG 4.38Å; V220-L291 HydrophobicContact CG2-CD2 4.08Å; V220-L291 HydrophobicContact CG2-CG 4.15Å; V220-L291 WeakPolarHBondContact CG2-O 3.41Å; V220-Q292 WeakPolarHBondContact CG1-O 3.29Å; V220-T294 HydrophobicContact CG1-CG2 4.39Å
221	S	97.2	Very high	95.7	Very high	13 Å²	13	36 Å²	36	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	165.6	-177.8	69	0	0	0	0	112.4	T170 Y223 F232 T294	T170-S221 VanDerWaalsContact OG1-C 3.27Å; T170-S221 WeakPolarHBondContact OG1-CA 3.46Å; S221-Y223 WeakPolarHBondContact OG-CE2 3.23Å; S221-F232 PolarHBondContact N-O 2.71Å; S221-F232 PolarHBondContact O-N 2.97Å; S221-T294 WeakPolarHBondContact CB-OG1 3.45Å; S221-T294 PolarHBondContact OG-OG1 2.77Å
222	S	97.6	Very high	96	Very high	12 Å²	12	33.2 Å²	33.2	8%	0.084	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.8	174.5	50.9	0	0	0	0	110.1	T170 Y230	T170-S222 PolarHBondContact OG1-N 3.41Å; T170-S222 PolarHBondContact OG1-OG 3.03Å; S222-Y230 CarbonylContact C-O 3.57Å; S222-Y230 WeakPolarHBondContact CA-O 3.02Å
223	Y	97	Very high	96.3	Very high	43 Å²	43	29.4 Å²	29.4	17%	0.169	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.2	179.9	-58.5	-70.1	0	0	0	111.8	S221 Y230 F232 T294 F295 F296	S221-Y223 WeakPolarHBondContact OG-CE2 3.23Å; Y223-Y230 PolarHBondContact N-O 2.81Å; Y223-Y230 PolarHBondContact O-N 2.74Å; Y223-F232 AromaticContact CD2-CD2 3.96Å; Y223-F232 HydrophobicContact CD2-CD2 3.96Å; Y223-F232 AromaticContact CD2-CE2 3.74Å; Y223-F232 HydrophobicContact CD2-CE2 3.74Å; Y223-F232 HydrophobicContact CE2-CD2 4.03Å; Y223-F232 HydrophobicContact CE2-CE2 4.09Å; Y223-T294 VanDerWaalsContact CE2-OG1 3.3Å; Y223-T294 WeakPolarHBondContact CE2-OG1 3.5Å; Y223-T294 PolarHBondContact OH-O 2.64Å; Y223-T294 VanDerWaalsContact OH-O 3.1Å; Y223-T294 PolarHBondContact OH-OG1 3.26Å; Y223-F295 WeakPolarHBondContact OH-CA 3.32Å; Y223-F295 PolarHBondContact OH-N 3.12Å; Y223-F296 HydrophobicContact CD1-CB 3.67Å; Y223-F296 HydrophobicContact CD1-CD1 4.32Å; Y223-F296 HydrophobicContact CD1-CG 4.37Å; Y223-F296 HydrophobicContact CD2-CB 4.14Å; Y223-F296 HydrophobicContact CE1-CB 3.49Å; Y223-F296 VanDerWaalsContact CE1-CB 3.49Å; Y223-F296 HydrophobicContact CE2-CB 3.97Å; Y223-F296 HydrophobicContact CG-CB 4Å; Y223-F296 HydrophobicContact CG-CG 4.46Å; Y223-F296 PolarHBondContact OH-N 3.18Å
224	D	95.2	Very high	96.4	Very high	64 Å²	64	30.5 Å²	30.5	34%	0.342	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	103.5	176.5	-165	44.9	0	0	0	109.7	L172 K255	L172-D224 HydrophobicContact CD1-CB 4.23Å; L172-D224 HydrophobicContact CD2-CB 4.41Å; D224-K255 WeakPolarHBondContact OD1-CE 3.38Å; D224-K255 IonicContact OD1-NZ 2.87Å; D224-K255 PolarHBondContact OD1-NZ 2.87Å; D224-K255 IonicContact OD2-NZ 3.14Å; D224-K255 PolarHBondContact OD2-NZ 3.08Å
225	I	94.8	Very high	96.5	Very high	20 Å²	20	30 Å²	30	10%	0.103	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	116.6	-169.4	-50.6	173.5	0	0	0	111	N227 F228 Y230 F296 L324	I225-N227 PolarHBondContact O-N 3.4Å; I225-F228 CarbonylContact C-O 3.37Å; I225-F228 PolarHBondContact N-O 2.02Å; I225-F228 PolarHBondContact O-N 3.01Å; I225-Y230 HydrophobicContact CB-CD2 3.97Å; I225-Y230 HydrophobicContact CB-CE2 3.97Å; I225-Y230 HydrophobicContact CD1-CD2 3.99Å; I225-Y230 HydrophobicContact CD1-CE2 4.42Å; I225-Y230 HydrophobicContact CG1-CD2 4.23Å; I225-F296 HydrophobicContact CD1-CD1 4.18Å; I225-F296 HydrophobicContact CD1-CD2 4.31Å; I225-F296 HydrophobicContact CD1-CE1 3.86Å; I225-F296 HydrophobicContact CD1-CE2 4Å; I225-F296 HydrophobicContact CD1-CG 4.4Å; I225-F296 HydrophobicContact CD1-CZ 3.76Å; I225-F296 HydrophobicContact CG1-CD1 4.43Å; I225-F296 HydrophobicContact CG1-CE1 3.9Å; I225-F296 HydrophobicContact CG1-CZ 4.11Å; I225-F296 HydrophobicContact CG2-CZ 4.41Å; I225-L324 HydrophobicContact CD1-CD1 4.2Å; I225-L324 HydrophobicContact CG2-CD2 3.63Å
226	G	92.1	Very high	96.5	Very high	59 Å²	59	29.7 Å²	29.7	61%	0.608	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	-125	-179.7	0	0	0	0	0	112	K255	G226-K255 WeakPolarHBondContact O-CE 3.46Å; G226-K255 PolarHBondContact O-NZ 2.94Å
227	N	92.9	Very high	96.5	Very high	97 Å²	97	23.6 Å²	23.6	52%	0.519	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.8	177.8	-66.8	-11.3	0	0	0	113.8	I225 K255 C357	I225-N227 PolarHBondContact O-N 3.4Å; N227-K255 WeakPolarHBondContact O-CG 3.47Å; N227-K255 PolarHBondContact O-N 2.88Å; N227-C357 HydrophobicContact CB-CB 4.41Å
228	F	95.4	Very high	96.2	Very high	12 Å²	12	24 Å²	24	5%	0.053	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	156.6	-173.8	-60.7	-86.1	0	0	0	111.8	I225 Y230 R252 V253 C254 K255 C357	I225-F228 CarbonylContact C-O 3.37Å; I225-F228 PolarHBondContact N-O 2.02Å; I225-F228 PolarHBondContact O-N 3.01Å; F228-Y230 HydrophobicContact CB-CD2 4.14Å; F228-Y230 HydrophobicContact CB-CE2 3.62Å; F228-Y230 HydrophobicContact CG-CE2 4.44Å; F228-R252 HydrophobicContact CD1-CB 4.45Å; F228-R252 HydrophobicContact CD1-CG 4.32Å; F228-V253 CarbonylContact C-O 3.56Å; F228-V253 VanDerWaalsContact CA-O 3.26Å; F228-V253 WeakPolarHBondContact CA-O 3.21Å; F228-C254 VanDerWaalsContact CE1-SG 3.57Å; F228-K255 WeakPolarHBondContact O-CE 3.35Å; F228-C357 VanDerWaalsContact CD1-SG 3.54Å; F228-C357 WeakPolarHBondContact CE1-SG 3.31Å; F228-C357 WeakPolarHBondContact CZ-SG 3.1Å
229	T	96.6	Very high	96	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124	163.8	-52.5	0	0	0	0	108.2	L172 Y180 F231 R252 V253	L172-T229 HydrophobicContact CD1-CG2 4.28Å; L172-T229 HydrophobicContact CD2-CG2 3.73Å; L172-T229 HydrophobicContact CG-CG2 4.41Å; Y180-T229 HydrophobicContact CD1-CG2 3.96Å; Y180-T229 HydrophobicContact CD2-CG2 4.49Å; Y180-T229 HydrophobicContact CE1-CG2 4.44Å; Y180-T229 HydrophobicContact CG-CG2 3.97Å; T229-F231 HydrophobicContact CG2-CE2 3.81Å; T229-F231 HydrophobicContact CG2-CZ 3.73Å; T229-R252 VanDerWaalsContact O-CA 3.32Å; T229-R252 WeakPolarHBondContact O-CA 3.04Å; T229-V253 PolarHBondContact N-O 2.82Å; T229-V253 PolarHBondContact O-N 3.15Å
230	Y	97.8	Very high	95.4	Very high	8 Å²	8	26.1 Å²	26.1	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	143.7	-178	-70.8	-97.9	0	0	0	111.1	S222 Y223 I225 F228 A251 R252 L324 I327 F331	S222-Y230 CarbonylContact C-O 3.57Å; S222-Y230 WeakPolarHBondContact CA-O 3.02Å; Y223-Y230 PolarHBondContact N-O 2.81Å; Y223-Y230 PolarHBondContact O-N 2.74Å; I225-Y230 HydrophobicContact CB-CD2 3.97Å; I225-Y230 HydrophobicContact CB-CE2 3.97Å; I225-Y230 HydrophobicContact CD1-CD2 3.99Å; I225-Y230 HydrophobicContact CD1-CE2 4.42Å; I225-Y230 HydrophobicContact CG1-CD2 4.23Å; F228-Y230 HydrophobicContact CB-CD2 4.14Å; F228-Y230 HydrophobicContact CB-CE2 3.62Å; F228-Y230 HydrophobicContact CG-CE2 4.44Å; Y230-A251 CarbonylContact C-O 3.33Å; Y230-A251 VanDerWaalsContact CA-O 3.27Å; Y230-A251 WeakPolarHBondContact CA-O 3.06Å; Y230-R252 HydrophobicContact CD1-CB 3.92Å; Y230-R252 HydrophobicContact CE1-CB 3.95Å; Y230-R252 HydrophobicContact CG-CB 4.41Å; Y230-L324 HydrophobicContact CE1-CD1 4.16Å; Y230-L324 HydrophobicContact CE2-CD1 4.18Å; Y230-I327 HydrophobicContact CD1-CG2 4.36Å; Y230-I327 HydrophobicContact CE1-CG2 3.83Å; Y230-F331 HydrophobicContact CE1-CE2 4.11Å
231	F	98.5	Very high	94.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.8	177.2	-61	-90.3	0	0	0	110.4	T170 Y180 A182 I194 T229 F233 A251 V253	T170-F231 HydrophobicContact CG2-CD1 4.45Å; Y180-F231 HydrophobicContact CD1-CZ 4.04Å; Y180-F231 HydrophobicContact CG-CZ 4.46Å; A182-F231 HydrophobicContact CB-CD1 3.88Å; A182-F231 HydrophobicContact CB-CE1 4.16Å; I194-F231 HydrophobicContact CD1-CB 4.06Å; I194-F231 HydrophobicContact CD1-CD1 4.39Å; I194-F231 HydrophobicContact CD1-CD2 4.09Å; I194-F231 HydrophobicContact CD1-CG 3.91Å; I194-F231 HydrophobicContact CG1-CD1 4.19Å; I194-F231 HydrophobicContact CG1-CE1 4.49Å; I194-F231 HydrophobicContact CG1-CG 4.21Å; I194-F231 HydrophobicContact CG2-CD1 4.17Å; I194-F231 HydrophobicContact CG2-CD2 3.92Å; I194-F231 HydrophobicContact CG2-CE1 3.72Å; I194-F231 HydrophobicContact CG2-CE2 3.45Å; I194-F231 VanDerWaalsContact CG2-CE2 3.45Å; I194-F231 HydrophobicContact CG2-CG 4.25Å; I194-F231 HydrophobicContact CG2-CZ 3.33Å; T229-F231 HydrophobicContact CG2-CE2 3.81Å; T229-F231 HydrophobicContact CG2-CZ 3.73Å; F231-F233 HydrophobicContact CB-CD1 4.41Å; F231-A251 HydrophobicContact CB-CB 4.41Å; F231-A251 PolarHBondContact N-O 2.6Å; F231-A251 PolarHBondContact O-N 3.03Å; F231-V253 HydrophobicContact CE2-CG2 3.91Å
232	F	98.6	Very high	93.1	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129	179.2	-67.3	-94.4	0	0	0	109.7	V220 S221 Y223 R249 A250 L276 L291 T294 I303 I327	V220-F232 WeakPolarHBondContact CB-O 3.38Å; V220-F232 PolarHBondContact N-O 2.93Å; S221-F232 PolarHBondContact N-O 2.71Å; S221-F232 PolarHBondContact O-N 2.97Å; Y223-F232 AromaticContact CD2-CD2 3.96Å; Y223-F232 HydrophobicContact CD2-CD2 3.96Å; Y223-F232 AromaticContact CD2-CE2 3.74Å; Y223-F232 HydrophobicContact CD2-CE2 3.74Å; Y223-F232 HydrophobicContact CE2-CD2 4.03Å; Y223-F232 HydrophobicContact CE2-CE2 4.09Å; F232-R249 WeakPolarHBondContact CA-O 3.42Å; F232-A250 HydrophobicContact CD1-CB 4.1Å; F232-A250 HydrophobicContact CE1-CB 3.65Å; F232-A250 HydrophobicContact CZ-CB 4.19Å; F232-L276 HydrophobicContact CD1-CD1 3.94Å; F232-L276 HydrophobicContact CE1-CD1 4.29Å; F232-L291 HydrophobicContact CB-CD2 3.83Å; F232-T294 HydrophobicContact CB-CG2 4.04Å; F232-T294 HydrophobicContact CD1-CG2 4.16Å; F232-T294 HydrophobicContact CG-CG2 4.1Å; F232-I303 HydrophobicContact CE1-CD1 4.22Å; F232-I303 HydrophobicContact CE1-CG2 4.23Å; F232-I303 HydrophobicContact CE2-CD1 3.89Å; F232-I303 HydrophobicContact CZ-CD1 3.36Å; F232-I303 HydrophobicContact CZ-CG2 4.23Å; F232-I327 HydrophobicContact CE1-CD1 4.35Å; F232-I327 HydrophobicContact CZ-CD1 4.17Å
233	F	98.5	Very high	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	166	-176.5	58.3	-87.8	0	0	0	111.1	I194 L214 P217 N218 F219 F231 E235 R249 A251 K273	I194-F233 HydrophobicContact CD1-CE1 4.39Å; L214-F233 HydrophobicContact CD2-CE1 4.34Å; L214-F233 HydrophobicContact CD2-CE2 3.79Å; L214-F233 HydrophobicContact CD2-CZ 3.66Å; P217-F233 HydrophobicContact CB-CD2 3.79Å; P217-F233 HydrophobicContact CB-CE2 4.3Å; P217-F233 HydrophobicContact CB-CG 4.46Å; N218-F233 VanDerWaalsContact O-CA 3.3Å; N218-F233 WeakPolarHBondContact O-CA 3.34Å; N218-F233 VanDerWaalsContact O-CB 3.27Å; N218-F233 WeakPolarHBondContact O-CB 3.27Å; F219-F233 HydrophobicContact CD1-CB 3.81Å; F219-F233 HydrophobicContact CD1-CD1 4.22Å; F219-F233 HydrophobicContact CD1-CG 4.12Å; F219-F233 HydrophobicContact CE1-CB 4.47Å; F219-F233 HydrophobicContact CE1-CD1 4.36Å; F219-F233 HydrophobicContact CE1-CG 4.34Å; F231-F233 HydrophobicContact CB-CD1 4.41Å; F233-E235 HydrophobicContact CD2-CB 4.14Å; F233-E235 HydrophobicContact CD2-CG 4.38Å; F233-E235 HydrophobicContact CE2-CB 4.17Å; F233-E235 HydrophobicContact CE2-CG 4.06Å; F233-R249 HydrophobicContact CD1-CB 4.38Å; F233-R249 HydrophobicContact CD2-CB 4.04Å; F233-R249 HydrophobicContact CD2-CG 4.14Å; F233-R249 HydrophobicContact CE1-CB 4.07Å; F233-R249 HydrophobicContact CE2-CB 3.7Å; F233-R249 HydrophobicContact CE2-CG 3.67Å; F233-R249 HydrophobicContact CG-CB 4.36Å; F233-R249 HydrophobicContact CZ-CB 3.72Å; F233-R249 HydrophobicContact CZ-CG 4.07Å; F233-R249 PolarHBondContact N-O 2.74Å; F233-R249 PolarHBondContact O-N 2.85Å; F233-A251 HydrophobicContact CE1-CB 3.7Å; F233-A251 HydrophobicContact CZ-CB 4.3Å; F233-K273 HydrophobicContact CZ-CD 4.27Å
234	R	97.8	Very high	91.3	Very high	27 Å²	27	44.5 Å²	44.5	10%	0.102	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.2	166.6	63.8	-177.2	-179.8	-71.9	1.3	109.6	P217 N218 V246 F247 E290 L291	P217-R234 CarbonylContact C-O 3.54Å; P217-R234 VanDerWaalsContact CA-O 3.29Å; P217-R234 WeakPolarHBondContact CA-O 3.42Å; N218-R234 HydrophobicContact CB-CG 3.88Å; N218-R234 VanDerWaalsContact CG-CZ 3.46Å; N218-R234 PolarHBondContact N-O 2.84Å; N218-R234 PolarHBondContact ND2-NH2 2.7Å; N218-R234 PolarHBondContact O-N 2.01Å; N218-R234 VanDerWaalsContact O-N 3.07Å; N218-R234 PolarHBondContact OD1-NH1 2.7Å; N218-R234 VanDerWaalsContact OD1-NH1 3.12Å; N218-R234 PolarHBondContact OD1-NH2 3.28Å; R234-V246 HydrophobicContact CB-CG1 3.84Å; R234-V246 HydrophobicContact CG-CG1 4.2Å; R234-F247 CarbonylContact C-O 3.12Å; R234-F247 WeakPolarHBondContact CA-O 3.49Å; R234-E290 IonicContact NE-OE2 3.52Å; R234-L291 WeakPolarHBondContact CD-O 3Å; R234-L291 PolarHBondContact NH1-O 2.81Å
235	E	96.7	Very high	91.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.7	-177.4	67.5	171.5	179.4	0	0	110.5	N215 P217 F233 A237 V246 F247 R249 K273	N215-E235 PolarHBondContact N-OE2 2.86Å; N215-E235 WeakPolarHBondContact O-CB 3.35Å; P217-E235 HydrophobicContact CB-CB 4.19Å; F233-E235 HydrophobicContact CD2-CB 4.14Å; F233-E235 HydrophobicContact CD2-CG 4.38Å; F233-E235 HydrophobicContact CE2-CB 4.17Å; F233-E235 HydrophobicContact CE2-CG 4.06Å; E235-A237 PolarHBondContact O-N 2.89Å; E235-V246 CarbonylContact O-C 3.56Å; E235-V246 VanDerWaalsContact O-CA 3.3Å; E235-V246 WeakPolarHBondContact O-CA 2.99Å; E235-V246 WeakPolarHBondContact O-CG1 3.32Å; E235-F247 PolarHBondContact N-O 2.86Å; E235-F247 PolarHBondContact O-N 3.12Å; E235-R249 HydrophobicContact CG-CG 3.85Å; E235-R249 IonicContact OE1-CZ 2.9Å; E235-R249 IonicContact OE1-NE 2.69Å; E235-R249 PolarHBondContact OE1-NE 3.49Å; E235-R249 IonicContact OE1-NH2 3.95Å; E235-R249 PolarHBondContact OE1-NH2 2.86Å; E235-K273 VanDerWaalsContact CD-NZ 3.26Å; E235-K273 WeakPolarHBondContact OE1-CE 3.41Å; E235-K273 IonicContact OE1-NZ 3.13Å; E235-K273 PolarHBondContact OE1-NZ 3.22Å; E235-K273 IonicContact OE2-NZ 3.59Å; E235-K273 PolarHBondContact OE2-NZ 3.03Å
236	N	95.2	Very high	91.1	Very high	30 Å²	30	43.6 Å²	43.6	16%	0.16	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.2	170.9	-70	-22.9	0	0	0	110.3	N215 E216 V238	N215-N236 HydrophobicContact CB-CB 4.43Å; N215-N236 WeakPolarHBondContact CB-O 3.5Å; N215-N236 VanDerWaalsContact ND2-CB 3.29Å; N215-N236 WeakPolarHBondContact ND2-CB 3.44Å; N215-N236 PolarHBondContact ND2-O 3.26Å; N215-N236 PolarHBondContact O-N 3.25Å; E216-N236 PolarHBondContact OE2-ND2 3.22Å; N236-V238 PolarHBondContact O-N 3.24Å
237	A	95	Very high	91.4	Very high	11 Å²	11	41.4 Å²	41.4	9%	0.091	23%	0.231	C	C	.	.			trans	-70.8	115.7	-176.8	0	0	0	0	0	111.7	E235 E239 H240 T245 F247	E235-A237 PolarHBondContact O-N 2.89Å; A237-E239 VanDerWaalsContact C-N 3.33Å; A237-H240 HydrophobicContact CB-CB 4.05Å; A237-T245 WeakPolarHBondContact CB-O 3.49Å; A237-T245 PolarHBondContact N-O 3.29Å; A237-F247 HydrophobicContact CB-CB 4.25Å; A237-F247 HydrophobicContact CB-CD2 3.27Å; A237-F247 HydrophobicContact CB-CE2 3.61Å; A237-F247 HydrophobicContact CB-CG 3.8Å; A237-F247 HydrophobicContact CB-CZ 4.37Å
238	V	91.8	Very high	91.6	Very high	31 Å²	31	36.9 Å²	36.9	19%	0.188	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.4	176.5	-65.4	0	0	0	0	112.8	S211 N215 N236 H240 W345	S211-V238 WeakPolarHBondContact O-CG1 3.39Å; N215-V238 HydrophobicContact CB-CG1 4.06Å; N215-V238 WeakPolarHBondContact ND2-CG1 3.07Å; N236-V238 PolarHBondContact O-N 3.24Å; V238-H240 VanDerWaalsContact C-N 3.33Å; V238-W345 HydrophobicContact CB-CZ2 4.23Å; V238-W345 HydrophobicContact CG2-CH2 3.96Å; V238-W345 HydrophobicContact CG2-CZ2 3.88Å; V238-W345 PolarHBondContact O-NE1 2.87Å
239	E	91.3	Very high	91.8	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.075	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	6.3	-178.2	76.9	-84.4	-153	0	0	114.1	A237 F247 R249 K336 W345 L381	A237-E239 VanDerWaalsContact C-N 3.33Å; E239-F247 VanDerWaalsContact OE1-CD2 3.31Å; E239-F247 WeakPolarHBondContact OE1-CD2 3.37Å; E239-R249 IonicContact OE1-CZ 2.7Å; E239-R249 VanDerWaalsContact OE1-CZ 3.22Å; E239-R249 IonicContact OE1-NH1 2.66Å; E239-R249 PolarHBondContact OE1-NH1 2.82Å; E239-R249 IonicContact OE1-NH2 3.88Å; E239-R249 PolarHBondContact OE1-NH2 2.91Å; E239-R249 IonicContact OE2-CZ 3.79Å; E239-R249 IonicContact OE2-NH1 3.07Å; E239-R249 IonicContact OE2-NH2 2.75Å; E239-R249 PolarHBondContact OE2-NH2 2.7Å; E239-K336 HydrophobicContact CB-CD 3.97Å; E239-K336 HydrophobicContact CG-CD 4.09Å; E239-W345 HydrophobicContact CB-CD2 3.95Å; E239-W345 HydrophobicContact CB-CE3 4.4Å; E239-W345 HydrophobicContact CB-CG 4.09Å; E239-L381 HydrophobicContact CB-CD2 3.92Å; E239-L381 HydrophobicContact CG-CD2 4.09Å
240	H	85.5	Confident	91.8	Very high	75 Å²	75	36.3 Å²	36.3	35%	0.347	21%	0.205	S	C	.	.			trans	-113	110.8	-179.9	-164.6	70.4	0	0	0	110	A237 V238 C242 T245 F247	A237-H240 HydrophobicContact CB-CB 4.05Å; V238-H240 VanDerWaalsContact C-N 3.33Å; H240-C242 VanDerWaalsContact C-N 3.31Å; H240-C242 PolarHBondContact CD2-O 2.88Å; H240-C242 PolarHBondContact NE2-O 3.33Å; H240-C242 PolarHBondContact O-N 2.79Å; H240-T245 WeakPolarHBondContact CB-OG1 3.03Å; H240-T245 WeakPolarHBondContact CD2-CG2 3.34Å; H240-T245 PolarHBondContact CD2-OG1 3.29Å; H240-F247 HydrophobicContact CB-CE2 4.43Å
241	D	74.9	Confident	91.9	Very high	133 Å²	133	35.9 Å²	35.9	71%	0.711	20%	0.203	S	C	*	.			trans	-77.6	-17.7	-174.9	-59.3	-35	0	0	0	112.9	G243	D241-G243 PolarHBondContact O-N 2.79Å
242	C	71.2	Confident	91.8	Very high	100 Å²	100	36.2 Å²	36.2	68%	0.676	20%	0.204	S	C	*	.	S	Bend	trans	-99.2	89	-173.8	-165.5	0	0	0	0	112.6	H240	H240-C242 VanDerWaalsContact C-N 3.31Å; H240-C242 PolarHBondContact CD2-O 2.88Å; H240-C242 PolarHBondContact NE2-O 3.33Å; H240-C242 PolarHBondContact O-N 2.79Å
243	G	75.3	Confident	91.7	Very high	60 Å²	60	36.1 Å²	36.1	62%	0.619	20%	0.204	S	C	*	.	S	Bend	trans	72.9	177.1	175.6	0	0	0	0	0	114.1	D241 T245	D241-G243 PolarHBondContact O-N 2.79Å; G243-T245 PolarHBondContact O-N 2.75Å
244	K	83.2	Confident	91.5	Very high	190 Å²	190	36.2 Å²	36.2	83%	0.826	20%	0.204	S	C	*	.			trans	-80.4	107	176.8	-68.6	-171	176.5	-169.3	0	109.3
245	T	90.8	Very high	91.3	Very high	36 Å²	36	37.2 Å²	37.2	22%	0.221	21%	0.21	C	C	.	.			trans	-114	141.9	172.5	57.9	0	0	0	0	110.2	A237 H240 G243	A237-T245 WeakPolarHBondContact CB-O 3.49Å; A237-T245 PolarHBondContact N-O 3.29Å; H240-T245 WeakPolarHBondContact CB-OG1 3.03Å; H240-T245 WeakPolarHBondContact CD2-CG2 3.34Å; H240-T245 PolarHBondContact CD2-OG1 3.29Å; G243-T245 PolarHBondContact O-N 2.75Å
246	V	95	Very high	91	Very high	29 Å²	29	39.9 Å²	39.9	18%	0.176	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.9	173.5	177.3	0	0	0	0	107.6	R234 E235 N289 E290	R234-V246 HydrophobicContact CB-CG1 3.84Å; R234-V246 HydrophobicContact CG-CG1 4.2Å; E235-V246 CarbonylContact O-C 3.56Å; E235-V246 VanDerWaalsContact O-CA 3.3Å; E235-V246 WeakPolarHBondContact O-CA 2.99Å; E235-V246 WeakPolarHBondContact O-CG1 3.32Å; V246-N289 VanDerWaalsContact O-CB 3.27Å; V246-N289 WeakPolarHBondContact O-CB 3.39Å; V246-E290 HydrophobicContact CB-CG 4.23Å; V246-E290 HydrophobicContact CG1-CG 4Å
247	F	96.8	Very high	90.9	Very high	12 Å²	12	38.4 Å²	38.4	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.1	168.9	-73.6	-23.5	0	0	0	111.3	R234 E235 A237 E239 H240 R275	R234-F247 CarbonylContact C-O 3.12Å; R234-F247 WeakPolarHBondContact CA-O 3.49Å; E235-F247 PolarHBondContact N-O 2.86Å; E235-F247 PolarHBondContact O-N 3.12Å; A237-F247 HydrophobicContact CB-CB 4.25Å; A237-F247 HydrophobicContact CB-CD2 3.27Å; A237-F247 HydrophobicContact CB-CE2 3.61Å; A237-F247 HydrophobicContact CB-CG 3.8Å; A237-F247 HydrophobicContact CB-CZ 4.37Å; E239-F247 VanDerWaalsContact OE1-CD2 3.31Å; E239-F247 WeakPolarHBondContact OE1-CD2 3.37Å; H240-F247 HydrophobicContact CB-CE2 4.43Å; F247-R275 HydrophobicContact CB-CG 4.48Å; F247-R275 VanDerWaalsContact CE1-CZ 3.45Å; F247-R275 VanDerWaalsContact CE1-NH2 3.27Å; F247-R275 HydrophobicContact CG-CG 4.47Å; F247-R275 VanDerWaalsContact CZ-CZ 3.48Å
248	S	98.3	Very high	90.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.5	174	-64.6	0	0	0	0	111.3	R275 L276 N289 L291	S248-R275 WeakPolarHBondContact O-CA 3.42Å; S248-L276 PolarHBondContact O-N 2.02Å; S248-N289 PolarHBondContact N-O 2.73Å; S248-N289 PolarHBondContact OG-O 3.44Å; S248-L291 WeakPolarHBondContact OG-CB 3.02Å; S248-L291 PolarHBondContact OG-N 3.38Å
249	R	98.3	Very high	90.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.3	-172.7	-54.7	-59.9	-169.4	-168.4	-3.8	111.3	F232 F233 E235 E239 A274	F232-R249 WeakPolarHBondContact CA-O 3.42Å; F233-R249 HydrophobicContact CD1-CB 4.38Å; F233-R249 HydrophobicContact CD2-CB 4.04Å; F233-R249 HydrophobicContact CD2-CG 4.14Å; F233-R249 HydrophobicContact CE1-CB 4.07Å; F233-R249 HydrophobicContact CE2-CB 3.7Å; F233-R249 HydrophobicContact CE2-CG 3.67Å; F233-R249 HydrophobicContact CG-CB 4.36Å; F233-R249 HydrophobicContact CZ-CB 3.72Å; F233-R249 HydrophobicContact CZ-CG 4.07Å; F233-R249 PolarHBondContact N-O 2.74Å; F233-R249 PolarHBondContact O-N 2.85Å; E235-R249 HydrophobicContact CG-CG 3.85Å; E235-R249 IonicContact OE1-CZ 2.9Å; E235-R249 IonicContact OE1-NE 2.69Å; E235-R249 PolarHBondContact OE1-NE 3.49Å; E235-R249 IonicContact OE1-NH2 3.95Å; E235-R249 PolarHBondContact OE1-NH2 2.86Å; E239-R249 IonicContact OE1-CZ 2.7Å; E239-R249 VanDerWaalsContact OE1-CZ 3.22Å; E239-R249 IonicContact OE1-NH1 2.66Å; E239-R249 PolarHBondContact OE1-NH1 2.82Å; E239-R249 IonicContact OE1-NH2 3.88Å; E239-R249 PolarHBondContact OE1-NH2 2.91Å; E239-R249 IonicContact OE2-CZ 3.79Å; E239-R249 IonicContact OE2-NH1 3.07Å; E239-R249 IonicContact OE2-NH2 2.75Å; E239-R249 PolarHBondContact OE2-NH2 2.7Å; R249-A274 VanDerWaalsContact CA-O 3.29Å; R249-A274 WeakPolarHBondContact CA-O 3.42Å
250	A	98.3	Very high	90.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.9	155.9	0	0	0	0	0	107.5	F232 K273 A274 L276 I327 F331	F232-A250 HydrophobicContact CD1-CB 4.1Å; F232-A250 HydrophobicContact CE1-CB 3.65Å; F232-A250 HydrophobicContact CZ-CB 4.19Å; A250-K273 CarbonylContact O-C 3.56Å; A250-K273 VanDerWaalsContact O-CA 3.31Å; A250-K273 WeakPolarHBondContact O-CA 3.02Å; A250-A274 PolarHBondContact N-O 3Å; A250-A274 PolarHBondContact O-N 3.27Å; A250-L276 HydrophobicContact CB-CD1 4.33Å; A250-L276 HydrophobicContact CB-CD2 4.13Å; A250-L276 HydrophobicContact CB-CG 4.23Å; A250-I327 HydrophobicContact CB-CG2 4.48Å; A250-F331 WeakPolarHBondContact O-CZ 3.35Å
251	A	98.1	Very high	90.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	157.6	173.5	0	0	0	0	0	110.7	Y230 F231 F233 F271 M272 K273	Y230-A251 CarbonylContact C-O 3.33Å; Y230-A251 VanDerWaalsContact CA-O 3.27Å; Y230-A251 WeakPolarHBondContact CA-O 3.06Å; F231-A251 HydrophobicContact CB-CB 4.41Å; F231-A251 PolarHBondContact N-O 2.6Å; F231-A251 PolarHBondContact O-N 3.03Å; F233-A251 HydrophobicContact CE1-CB 3.7Å; F233-A251 HydrophobicContact CZ-CB 4.3Å; A251-F271 HydrophobicContact CB-CD2 4.49Å; A251-F271 HydrophobicContact CB-CE2 3.66Å; A251-F271 HydrophobicContact CB-CZ 4.14Å; A251-M272 CarbonylContact C-O 3.51Å; A251-M272 WeakPolarHBondContact CA-O 3.19Å; A251-M272 WeakPolarHBondContact CB-O 3.36Å; A251-K273 HydrophobicContact CB-CB 3.88Å
252	R	96.7	Very high	90.4	Very high	6 Å²	6	42.2 Å²	42.2	2%	0.023	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.9	174.1	69.4	178.2	-179	166.9	5.6	111.7	F228 T229 Y230 M272 F331	F228-R252 HydrophobicContact CD1-CB 4.45Å; F228-R252 HydrophobicContact CD1-CG 4.32Å; T229-R252 VanDerWaalsContact O-CA 3.32Å; T229-R252 WeakPolarHBondContact O-CA 3.04Å; Y230-R252 HydrophobicContact CD1-CB 3.92Å; Y230-R252 HydrophobicContact CE1-CB 3.95Å; Y230-R252 HydrophobicContact CG-CB 4.41Å; R252-M272 HydrophobicContact CG-CE 4.47Å; R252-M272 PolarHBondContact N-O 3.4Å; R252-M272 PolarHBondContact O-N 2.84Å; R252-F331 HydrophobicContact CB-CE2 4.19Å; R252-F331 HydrophobicContact CB-CZ 4.23Å; R252-F331 VanDerWaalsContact CD-CD2 3.47Å; R252-F331 HydrophobicContact CG-CD1 4.36Å; R252-F331 HydrophobicContact CG-CD2 4.09Å; R252-F331 HydrophobicContact CG-CE1 4.1Å; R252-F331 HydrophobicContact CG-CE2 3.77Å; R252-F331 HydrophobicContact CG-CG 4.38Å; R252-F331 HydrophobicContact CG-CZ 3.79Å; R252-F331 VanDerWaalsContact NE-CG 3.31Å
253	V	96.2	Very high	90.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.3	168.6	-59.7	0	0	0	0	109.1	Y180 F228 T229 F231 W268 F271	Y180-V253 HydrophobicContact CD1-CG2 4.4Å; Y180-V253 HydrophobicContact CE1-CG2 4.01Å; F228-V253 CarbonylContact C-O 3.56Å; F228-V253 VanDerWaalsContact CA-O 3.26Å; F228-V253 WeakPolarHBondContact CA-O 3.21Å; T229-V253 PolarHBondContact N-O 2.82Å; T229-V253 PolarHBondContact O-N 3.15Å; F231-V253 HydrophobicContact CE2-CG2 3.91Å; V253-W268 HydrophobicContact CB-CD2 4.27Å; V253-W268 HydrophobicContact CB-CE3 3.92Å; V253-W268 HydrophobicContact CB-CZ3 4.09Å; V253-W268 HydrophobicContact CG1-CD2 3.9Å; V253-W268 HydrophobicContact CG1-CE3 4.07Å; V253-W268 HydrophobicContact CG1-CG 4.12Å; V253-W268 HydrophobicContact CG2-CE3 4.36Å; V253-W268 HydrophobicContact CG2-CH2 4.17Å; V253-W268 HydrophobicContact CG2-CZ3 4.06Å; V253-F271 HydrophobicContact CG1-CB 4.21Å; V253-F271 HydrophobicContact CG1-CD2 3.93Å
254	C	95.1	Very high	91.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.1	172.4	-73.9	0	0	0	0	111.1	F228 N256 D257 T270 F355 C357	F228-C254 VanDerWaalsContact CE1-SG 3.57Å; C254-N256 VanDerWaalsContact C-N 3.29Å; C254-N256 WeakPolarHBondContact CB-OD1 3.4Å; C254-N256 PolarHBondContact O-N 2.04Å; C254-D257 HydrophobicContact CB-CB 4.28Å; C254-D257 WeakPolarHBondContact O-CB 3.45Å; C254-D257 PolarHBondContact O-N 3.46Å; C254-T270 HydrophobicContact CB-CG2 3.82Å; C254-T270 PolarHBondContact N-OG1 3.03Å; C254-F355 WeakPolarHBondContact SG-CE1 3.27Å; C254-C357 VanDerWaalsContact CA-SG 3.51Å; C254-C357 HydrophobicContact CB-CB 3.67Å; C254-C357 WeakPolarHBondContact CB-SG 3.49Å; C254-C357 WeakPolarHBondContact SG-CA 3.33Å; C254-C357 WeakPolarHBondContact SG-CB 3.24Å; C254-C357 CovalentContact SG-SG 2.03Å; C254-C357 PolarHBondContact SG-SG 3.47Å
255	K	93	Very high	91.6	Very high	49 Å²	49	36.3 Å²	36.3	21%	0.213	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-36.9	-179.9	-65.4	-178.5	-162.3	-166.8	0	112.5	Y180 R196 L201 D224 G226 N227 F228 D257	Y180-K255 WeakPolarHBondContact OH-CA 3.47Å; Y180-K255 PolarHBondContact OH-O 3.36Å; R196-K255 PolarHBondContact NH1-O 2.8Å; L201-K255 WeakPolarHBondContact CD1-O 3.44Å; D224-K255 WeakPolarHBondContact OD1-CE 3.38Å; D224-K255 IonicContact OD1-NZ 2.87Å; D224-K255 PolarHBondContact OD1-NZ 2.87Å; D224-K255 IonicContact OD2-NZ 3.14Å; D224-K255 PolarHBondContact OD2-NZ 3.08Å; G226-K255 WeakPolarHBondContact O-CE 3.46Å; G226-K255 PolarHBondContact O-NZ 2.94Å; N227-K255 WeakPolarHBondContact O-CG 3.47Å; N227-K255 PolarHBondContact O-N 2.88Å; F228-K255 WeakPolarHBondContact O-CE 3.35Å; K255-D257 VanDerWaalsContact C-N 3.34Å
256	N	91.6	Very high	91.6	Very high	56 Å²	56	39.2 Å²	39.2	30%	0.299	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8.4	-179.9	67.7	-19.7	0	0	0	114.1	C254 I258 C357	C254-N256 VanDerWaalsContact C-N 3.29Å; C254-N256 WeakPolarHBondContact CB-OD1 3.4Å; C254-N256 PolarHBondContact O-N 2.04Å; N256-I258 PolarHBondContact O-N 3.49Å; N256-C357 PolarHBondContact ND2-O 2.86Å; N256-C357 WeakPolarHBondContact OD1-CB 3.37Å
257	D	92.9	Very high	91.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.186	C	C	.	.			trans	-59.4	130.6	176.1	-165.3	-20.9	0	0	0	109.3	R196 L204 C254 K255 G259 W268 T269 T270 T369	R196-D257 PolarHBondContact NH1-O 3.36Å; R196-D257 PolarHBondContact NH2-O 3.18Å; L204-D257 HydrophobicContact CD1-CB 3.97Å; L204-D257 VanDerWaalsContact CD1-O 3.3Å; L204-D257 WeakPolarHBondContact CD1-O 3.35Å; C254-D257 HydrophobicContact CB-CB 4.28Å; C254-D257 WeakPolarHBondContact O-CB 3.45Å; C254-D257 PolarHBondContact O-N 3.46Å; K255-D257 VanDerWaalsContact C-N 3.34Å; D257-G259 PolarHBondContact OD1-N 2.86Å; D257-W268 HydrophobicContact CB-CE3 3.93Å; D257-W268 HydrophobicContact CB-CZ3 3.95Å; D257-T269 VanDerWaalsContact CG-OG1 3.28Å; D257-T269 PolarHBondContact OD1-OG1 3.16Å; D257-T269 PolarHBondContact OD2-N 3.23Å; D257-T269 PolarHBondContact OD2-OG1 3.46Å; D257-T270 HydrophobicContact CB-CG2 4.32Å; D257-T270 WeakPolarHBondContact OD2-CB 3.45Å; D257-T270 WeakPolarHBondContact OD2-CG2 3.35Å; D257-T270 PolarHBondContact OD2-N 2.84Å; D257-T270 PolarHBondContact OD2-OG1 2.02Å; D257-T369 HydrophobicContact CB-CG2 4.25Å
258	I	90.5	Very high	91.5	Very high	55 Å²	55	38.3 Å²	38.3	28%	0.282	18%	0.184	S	C	.	.			trans	-109.9	4	178.6	61.9	161.6	0	0	0	112.5	L201 P202 N256 N367 L368	L201-I258 HydrophobicContact CD2-CG2 4.4Å; P202-I258 HydrophobicContact CG-CB 4.17Å; N256-I258 PolarHBondContact O-N 3.49Å; I258-N367 WeakPolarHBondContact CD1-O 3.49Å; I258-L368 HydrophobicContact CD1-CB 4.49Å; I258-L368 HydrophobicContact CD1-CD2 3.57Å; I258-L368 HydrophobicContact CD1-CG 3.97Å; I258-L368 HydrophobicContact CG1-CD2 3.73Å; I258-L368 HydrophobicContact CG1-CG 4.48Å
259	G	90.2	Very high	91.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.			trans	82.3	-179.5	-174.1	0	0	0	0	0	112.5	D257 T267 T269 L368	D257-G259 PolarHBondContact OD1-N 2.86Å; G259-T267 WeakPolarHBondContact CA-O 3.13Å; G259-T269 VanDerWaalsContact C-CG2 3.42Å; G259-L368 WeakPolarHBondContact O-CD2 3.35Å
260	G	86.8	Confident	91.1	Very high	10 Å²	10	38.2 Å²	38.2	10%	0.103	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-88.4	175.5	170.9	0	0	0	0	0	112.4	L263 L264 E265	G260-L263 VanDerWaalsContact CA-O 3.29Å; G260-L263 WeakPolarHBondContact CA-O 3.43Å; G260-L264 PolarHBondContact N-O 2.86Å; G260-E265 WeakPolarHBondContact O-CA 3.29Å
261	R	79	Confident	91	Very high	123 Å²	123	38.3 Å²	38.3	46%	0.464	18%	0.184	S	C	.	.	S	Bend	trans	-101.2	-32.6	-178.7	-173	175.4	-179.7	177.7	1.4	114.4	L364	R261-L364 PolarHBondContact NH1-O 2.99Å; R261-L364 VanDerWaalsContact NH1-O 3.15Å
262	F	80.7	Confident	90.9	Very high	157 Å²	157	38.6 Å²	38.6	69%	0.689	19%	0.185	S	C	*	.	S	Bend	trans	-136.2	-53.9	-177.7	-62.9	-71.1	0	0	0	109.9
263	L	82.6	Confident	90.9	Very high	79 Å²	79	38.3 Å²	38.3	41%	0.414	18%	0.184	S	C	.	.	S	Bend	trans	-82	138.1	161.1	-67.8	172.7	0	0	0	107.5	G260 E265 L373 Q374	G260-L263 VanDerWaalsContact CA-O 3.29Å; G260-L263 WeakPolarHBondContact CA-O 3.43Å; L263-E265 PolarHBondContact O-N 2.87Å; L263-L373 HydrophobicContact CB-CB 4.25Å; L263-L373 HydrophobicContact CB-CD1 4.38Å; L263-Q374 HydrophobicContact CD1-CG 4.31Å
264	L	86.3	Confident	91	Very high	24 Å²	24	38.3 Å²	38.3	13%	0.126	18%	0.184	C	C	.	.	S	Bend	trans	60.1	27.9	177.2	-58.8	176.7	0	0	0	114.6	W213 G260 D266 T267 T269 A376 Q377	W213-L264 HydrophobicContact CZ2-CD2 4.2Å; G260-L264 PolarHBondContact N-O 2.86Å; L264-D266 PolarHBondContact O-N 3.15Å; L264-T267 WeakPolarHBondContact CA-OG1 3.18Å; L264-T267 WeakPolarHBondContact CB-OG1 3.25Å; L264-T267 WeakPolarHBondContact CD2-OG1 3.11Å; L264-T267 PolarHBondContact O-N 2.94Å; L264-T267 VanDerWaalsContact O-N 3.07Å; L264-T267 VanDerWaalsContact O-O 3.12Å; L264-T267 PolarHBondContact O-OG1 3.48Å; L264-T269 HydrophobicContact CB-CG2 4.46Å; L264-A376 HydrophobicContact CD1-CB 3.64Å; L264-Q377 HydrophobicContact CD1-CB 4.42Å; L264-Q377 HydrophobicContact CD2-CB 4.45Å
265	E	86.5	Confident	91.1	Very high	123 Å²	123	40.6 Å²	40.6	58%	0.575	19%	0.192	S	C	*	.	B	Isolated β-bridge	trans	-56.2	133.7	169	-170.7	174.5	-163.2	0	0	110	G260 L263 T267	G260-E265 WeakPolarHBondContact O-CA 3.29Å; L263-E265 PolarHBondContact O-N 2.87Å; E265-T267 PolarHBondContact O-N 2.77Å
266	D	90.8	Very high	91.4	Very high	97 Å²	97	38.6 Å²	38.6	52%	0.519	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	16.2	-174	-55.5	-33.5	0	0	0	115.7	R205 L264	R205-D266 PolarHBondContact N-O 2.85Å; L264-D266 PolarHBondContact O-N 3.15Å
267	T	94.8	Very high	91.6	Very high	21 Å²	21	36.9 Å²	36.9	13%	0.129	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-124.4	149.8	178.8	65.1	0	0	0	0	112.8	R205 G259 L264 E265 T269	R205-T267 HydrophobicContact CG-CG2 4.5Å; R205-T267 WeakPolarHBondContact O-CA 3.28Å; R205-T267 WeakPolarHBondContact O-CB 3.07Å; G259-T267 WeakPolarHBondContact CA-O 3.13Å; L264-T267 WeakPolarHBondContact CA-OG1 3.18Å; L264-T267 WeakPolarHBondContact CB-OG1 3.25Å; L264-T267 WeakPolarHBondContact CD2-OG1 3.11Å; L264-T267 PolarHBondContact O-N 2.94Å; L264-T267 VanDerWaalsContact O-N 3.07Å; L264-T267 VanDerWaalsContact O-O 3.12Å; L264-T267 PolarHBondContact O-OG1 3.48Å; E265-T267 PolarHBondContact O-N 2.77Å; T267-T269 PolarHBondContact O-N 3.15Å
268	W	95.3	Very high	91.8	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.176	C	C	.	.			trans	-57.5	127.9	179.6	-61.4	109.4	0	0	0	111.8	Y180 I194 R196 L204 R205 W213 V253 D257 F271	Y180-W268 HydrophobicContact CD1-CH2 4.18Å; Y180-W268 HydrophobicContact CD1-CZ2 4.41Å; Y180-W268 AromaticContact CE1-CH2 3.59Å; Y180-W268 HydrophobicContact CE1-CH2 3.59Å; Y180-W268 HydrophobicContact CE1-CZ2 4.26Å; Y180-W268 HydrophobicContact CE1-CZ3 4.4Å; I194-W268 PolarHBondContact O-NE1 2.79Å; R196-W268 HydrophobicContact CB-CH2 3.41Å; R196-W268 VanDerWaalsContact CB-CH2 3.41Å; R196-W268 HydrophobicContact CB-CZ2 3.52Å; R196-W268 HydrophobicContact CG-CH2 4.3Å; L204-W268 HydrophobicContact CB-CD2 3.79Å; L204-W268 HydrophobicContact CB-CE3 3.92Å; L204-W268 HydrophobicContact CB-CG 4.46Å; L204-W268 HydrophobicContact CB-CH2 3.91Å; L204-W268 HydrophobicContact CB-CZ2 3.79Å; L204-W268 HydrophobicContact CB-CZ3 3.99Å; L204-W268 HydrophobicContact CD1-CD2 4.21Å; L204-W268 HydrophobicContact CD1-CE3 3.54Å; L204-W268 HydrophobicContact CD1-CH2 4.25Å; L204-W268 HydrophobicContact CD1-CZ3 3.58Å; L204-W268 HydrophobicContact CG-CE3 4.4Å; L204-W268 HydrophobicContact CG-CZ3 4.39Å; R205-W268 PolarHBondContact O-N 2.87Å; W213-W268 HydrophobicContact CH2-CB 4.47Å; W213-W268 VanDerWaalsContact CH2-O 3.29Å; W213-W268 WeakPolarHBondContact CH2-O 3.42Å; W213-W268 HydrophobicContact CZ3-CB 4.16Å; V253-W268 HydrophobicContact CB-CD2 4.27Å; V253-W268 HydrophobicContact CB-CE3 3.92Å; V253-W268 HydrophobicContact CB-CZ3 4.09Å; V253-W268 HydrophobicContact CG1-CD2 3.9Å; V253-W268 HydrophobicContact CG1-CE3 4.07Å; V253-W268 HydrophobicContact CG1-CG 4.12Å; V253-W268 HydrophobicContact CG2-CE3 4.36Å; V253-W268 HydrophobicContact CG2-CH2 4.17Å; V253-W268 HydrophobicContact CG2-CZ3 4.06Å; D257-W268 HydrophobicContact CB-CE3 3.93Å; D257-W268 HydrophobicContact CB-CZ3 3.95Å; W268-F271 HydrophobicContact CB-CB 3.77Å; W268-F271 HydrophobicContact CG-CB 4.44Å
269	T	93.4	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-89.6	-21.5	170.4	66.1	0	0	0	0	110.9	D257 G259 L264 T267 T369 R371 L373 A376	D257-T269 VanDerWaalsContact CG-OG1 3.28Å; D257-T269 PolarHBondContact OD1-OG1 3.16Å; D257-T269 PolarHBondContact OD2-N 3.23Å; D257-T269 PolarHBondContact OD2-OG1 3.46Å; G259-T269 VanDerWaalsContact C-CG2 3.42Å; L264-T269 HydrophobicContact CB-CG2 4.46Å; T267-T269 PolarHBondContact O-N 3.15Å; T269-T369 PolarHBondContact OG1-OG1 3.49Å; T269-R371 VanDerWaalsContact O-CD 3.26Å; T269-R371 WeakPolarHBondContact O-CD 3.08Å; T269-R371 PolarHBondContact O-NH1 2.73Å; T269-L373 HydrophobicContact CG2-CD2 3.57Å; T269-A376 WeakPolarHBondContact O-CB 3.26Å
270	T	94.7	Very high	92.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	18%	0.182	C	C	.	.	S	Bend	trans	-103.5	2.4	-171.8	60.5	0	0	0	0	114.7	C254 D257 M272 F355 T369	C254-T270 HydrophobicContact CB-CG2 3.82Å; C254-T270 PolarHBondContact N-OG1 3.03Å; D257-T270 HydrophobicContact CB-CG2 4.32Å; D257-T270 WeakPolarHBondContact OD2-CB 3.45Å; D257-T270 WeakPolarHBondContact OD2-CG2 3.35Å; D257-T270 PolarHBondContact OD2-N 2.84Å; D257-T270 PolarHBondContact OD2-OG1 2.02Å; T270-M272 PolarHBondContact O-N 2.83Å; T270-F355 HydrophobicContact CG2-CE1 3.62Å; T270-F355 HydrophobicContact CG2-CZ 3.63Å; T270-T369 HydrophobicContact CG2-CG2 4.08Å
271	F	95.6	Very high	92.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	20%	0.198	C	C	.	.			trans	-63.6	126.2	179.8	-178.9	-104.4	0	0	0	111.7	I194 T206 W213 L214 A251 V253 W268 K273 R371 I380	I194-F271 HydrophobicContact CD1-CD2 4.38Å; I194-F271 HydrophobicContact CD1-CE2 3.56Å; I194-F271 HydrophobicContact CD1-CZ 4.29Å; T206-F271 HydrophobicContact CG2-CD2 4.31Å; T206-F271 HydrophobicContact CG2-CE2 4.35Å; W213-F271 HydrophobicContact CB-CE1 4.48Å; W213-F271 HydrophobicContact CD2-CD1 4.18Å; W213-F271 HydrophobicContact CE3-CB 4.35Å; W213-F271 AromaticContact CE3-CD1 3.5Å; W213-F271 HydrophobicContact CE3-CD1 3.5Å; W213-F271 VanDerWaalsContact CE3-CD1 3.5Å; W213-F271 HydrophobicContact CE3-CE1 4.03Å; W213-F271 HydrophobicContact CE3-CG 4.06Å; W213-F271 HydrophobicContact CH2-CB 4.48Å; W213-F271 HydrophobicContact CZ3-CB 3.83Å; W213-F271 AromaticContact CZ3-CD1 3.87Å; W213-F271 HydrophobicContact CZ3-CD1 3.87Å; W213-F271 HydrophobicContact CZ3-CG 4.03Å; L214-F271 HydrophobicContact CD2-CZ 4.38Å; A251-F271 HydrophobicContact CB-CD2 4.49Å; A251-F271 HydrophobicContact CB-CE2 3.66Å; A251-F271 HydrophobicContact CB-CZ 4.14Å; V253-F271 HydrophobicContact CG1-CB 4.21Å; V253-F271 HydrophobicContact CG1-CD2 3.93Å; W268-F271 HydrophobicContact CB-CB 3.77Å; W268-F271 HydrophobicContact CG-CB 4.44Å; F271-K273 HydrophobicContact CE1-CD 4.47Å; F271-K273 HydrophobicContact CZ-CB 4.48Å; F271-K273 HydrophobicContact CZ-CD 4.41Å; F271-R371 PolarHBondContact O-NH1 3.44Å; F271-I380 HydrophobicContact CD1-CG2 3.57Å; F271-I380 HydrophobicContact CE1-CG2 3.52Å
272	M	95.7	Very high	92.8	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.025	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.3	173.4	-63.7	177.7	-74	0	0	109.3	A251 R252 T270 F331 F335 F355 I380 M382	A251-M272 CarbonylContact C-O 3.51Å; A251-M272 WeakPolarHBondContact CA-O 3.19Å; A251-M272 WeakPolarHBondContact CB-O 3.36Å; R252-M272 HydrophobicContact CG-CE 4.47Å; R252-M272 PolarHBondContact N-O 3.4Å; R252-M272 PolarHBondContact O-N 2.84Å; T270-M272 PolarHBondContact O-N 2.83Å; M272-F331 HydrophobicContact CB-CD1 3.83Å; M272-F331 HydrophobicContact CB-CE1 3.82Å; M272-F331 WeakPolarHBondContact O-CE1 3.49Å; M272-F335 HydrophobicContact CG-CE1 4.26Å; M272-F335 HydrophobicContact SD-CE1 4.06Å; M272-F335 HydrophobicContact SD-CZ 3.9Å; M272-F355 HydrophobicContact CE-CD1 4.34Å; M272-I380 CarbonylContact C-O 3.58Å; M272-I380 WeakPolarHBondContact CA-O 3.16Å; M272-M382 HydrophobicContact CB-SD 4.49Å; M272-M382 HydrophobicContact SD-SD 4.48Å
273	K	97.5	Very high	93.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.9	176.1	67.3	-177.3	178.6	-179	0	112.5	K212 W213 F233 E235 A250 A251 F271 I380 L381 M382	K212-K273 WeakPolarHBondContact O-CE 2.98Å; K212-K273 PolarHBondContact O-NZ 2.71Å; W213-K273 WeakPolarHBondContact O-CE 3.47Å; W213-K273 PolarHBondContact O-NZ 2.85Å; F233-K273 HydrophobicContact CZ-CD 4.27Å; E235-K273 VanDerWaalsContact CD-NZ 3.26Å; E235-K273 WeakPolarHBondContact OE1-CE 3.41Å; E235-K273 IonicContact OE1-NZ 3.13Å; E235-K273 PolarHBondContact OE1-NZ 3.22Å; E235-K273 IonicContact OE2-NZ 3.59Å; E235-K273 PolarHBondContact OE2-NZ 3.03Å; A250-K273 CarbonylContact O-C 3.56Å; A250-K273 VanDerWaalsContact O-CA 3.31Å; A250-K273 WeakPolarHBondContact O-CA 3.02Å; A251-K273 HydrophobicContact CB-CB 3.88Å; F271-K273 HydrophobicContact CE1-CD 4.47Å; F271-K273 HydrophobicContact CZ-CB 4.48Å; F271-K273 HydrophobicContact CZ-CD 4.41Å; K273-I380 HydrophobicContact CG-CG2 4.38Å; K273-I380 PolarHBondContact N-O 3.13Å; K273-L381 HydrophobicContact CG-CD1 4.05Å; K273-L381 WeakPolarHBondContact O-CA 3.44Å; K273-M382 PolarHBondContact O-N 2.93Å
274	A	98	Very high	93.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.5	176.2	0	0	0	0	0	110.3	R249 A250 A330 F331 M382 V386	R249-A274 VanDerWaalsContact CA-O 3.29Å; R249-A274 WeakPolarHBondContact CA-O 3.42Å; A250-A274 PolarHBondContact N-O 3Å; A250-A274 PolarHBondContact O-N 3.27Å; A274-A330 HydrophobicContact CB-CB 4.22Å; A274-F331 HydrophobicContact CB-CE1 4.21Å; A274-F331 HydrophobicContact CB-CZ 4.46Å; A274-M382 HydrophobicContact CB-CB 3.96Å; A274-M382 HydrophobicContact CB-CG 3.9Å; A274-V386 HydrophobicContact CB-CG2 3.85Å
275	R	97.8	Very high	93.7	Very high	49 Å²	49	44.1 Å²	44.1	19%	0.185	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.6	174.4	-177.8	179.9	174.6	-168.4	-1.4	109.8	F247 S248 V385 V386	F247-R275 HydrophobicContact CB-CG 4.48Å; F247-R275 VanDerWaalsContact CE1-CZ 3.45Å; F247-R275 VanDerWaalsContact CE1-NH2 3.27Å; F247-R275 HydrophobicContact CG-CG 4.47Å; F247-R275 VanDerWaalsContact CZ-CZ 3.48Å; S248-R275 WeakPolarHBondContact O-CA 3.42Å; R275-V385 HydrophobicContact CB-CG1 4.04Å; R275-V385 HydrophobicContact CB-CG2 4.29Å; R275-V385 HydrophobicContact CG-CG1 4Å; R275-V385 WeakPolarHBondContact O-CG1 3.41Å; R275-V386 PolarHBondContact O-N 3.48Å
276	L	98.2	Very high	94.1	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.5	169	-68.2	162.8	0	0	0	109.8	F232 S248 A250 L291 F307 F322 V386	F232-L276 HydrophobicContact CD1-CD1 3.94Å; F232-L276 HydrophobicContact CE1-CD1 4.29Å; S248-L276 PolarHBondContact O-N 2.02Å; A250-L276 HydrophobicContact CB-CD1 4.33Å; A250-L276 HydrophobicContact CB-CD2 4.13Å; A250-L276 HydrophobicContact CB-CG 4.23Å; L276-L291 HydrophobicContact CD1-CD2 4.47Å; L276-F307 HydrophobicContact CB-CE1 4.1Å; L276-F307 HydrophobicContact CB-CZ 4.11Å; L276-F307 HydrophobicContact CD1-CZ 4.27Å; L276-F322 HydrophobicContact CB-CE1 4.44Å; L276-F322 HydrophobicContact CB-CZ 4.13Å; L276-F322 HydrophobicContact CD2-CD1 4Å; L276-F322 HydrophobicContact CD2-CD2 4.13Å; L276-F322 HydrophobicContact CD2-CE1 3.94Å; L276-F322 HydrophobicContact CD2-CE2 4.09Å; L276-F322 HydrophobicContact CD2-CG 4.08Å; L276-F322 HydrophobicContact CD2-CZ 3.99Å; L276-V386 HydrophobicContact CD2-CB 3.98Å; L276-V386 HydrophobicContact CD2-CG1 4.03Å; L276-V386 HydrophobicContact CD2-CG2 4.38Å
277	N	97.2	Very high	94.2	Very high	21 Å²	21	41.7 Å²	41.7	11%	0.112	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-94.8	125.2	172.5	-168.5	19	0	0	0	111	S279 F322 V385 V386 Q387 P388	N277-S279 PolarHBondContact OD1-OG 3.1Å; N277-F322 VanDerWaalsContact O-CE1 3.26Å; N277-F322 WeakPolarHBondContact O-CE1 3.14Å; N277-F322 VanDerWaalsContact O-CZ 3.27Å; N277-F322 WeakPolarHBondContact O-CZ 3.46Å; N277-V385 HydrophobicContact CB-CG1 3.69Å; N277-V386 WeakPolarHBondContact CB-O 3.46Å; N277-V386 PolarHBondContact N-O 3.43Å; N277-Q387 PolarHBondContact ND2-OE1 2.89Å; N277-P388 WeakPolarHBondContact O-CD 3.28Å
278	C	97.1	Very high	94.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	22%	0.215	C	C	.	.			trans	-138.1	107	163.4	-167.9	0	0	0	0	108	Y288 F307 C320	C278-Y288 PolarHBondContact O-N 3.15Å; C278-F307 HydrophobicContact CB-CB 4.11Å; C278-F307 HydrophobicContact CB-CD1 3.9Å; C278-F307 HydrophobicContact CB-CD2 3.59Å; C278-F307 HydrophobicContact CB-CE1 4.19Å; C278-F307 HydrophobicContact CB-CE2 3.94Å; C278-F307 HydrophobicContact CB-CG 3.59Å; C278-F307 HydrophobicContact CB-CZ 4.22Å; C278-F307 VanDerWaalsContact SG-CD2 3.58Å; C278-C320 WeakPolarHBondContact CA-SG 3.49Å; C278-C320 HydrophobicContact CB-CB 3.79Å; C278-C320 WeakPolarHBondContact CB-SG 3.41Å; C278-C320 WeakPolarHBondContact SG-CB 3.4Å; C278-C320 CovalentContact SG-SG 2.05Å; C278-C320 PolarHBondContact SG-SG 2.95Å
279	S	95.5	Very high	94.3	Very high	14 Å²	14	42.9 Å²	42.9	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	145.1	-173.3	61.1	0	0	0	0	111.1	N277 F286 P393	N277-S279 PolarHBondContact OD1-OG 3.1Å; S279-F286 CarbonylContact C-O 3.58Å; S279-F286 WeakPolarHBondContact CA-O 3.15Å; S279-F286 WeakPolarHBondContact CB-O 3.42Å; S279-P393 WeakPolarHBondContact O-CD 3.45Å
280	R	92.3	Very high	94.5	Very high	84 Å²	84	43.9 Å²	43.9	32%	0.317	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	127	165.9	-178.5	174.2	67.2	-164.5	0.8	108.9	P285 F286 Y288 M396	R280-P285 WeakPolarHBondContact O-CA 3.45Å; R280-F286 HydrophobicContact CB-CB 4.25Å; R280-F286 PolarHBondContact N-O 3.47Å; R280-F286 PolarHBondContact O-N 3.32Å; R280-F286 VanDerWaalsContact O-N 3.08Å; R280-Y288 HydrophobicContact CB-CE2 4.36Å; R280-M396 HydrophobicContact CG-CE 4.48Å; R280-M396 HydrophobicContact CG-SD 4.27Å
281	P	90.6	Very high	94.7	Very high	67 Å²	67	43.8 Å²	43.8	44%	0.435	23%	0.231	S	C	.	.			trans	-67.1	153.7	179.7	28.2	-34	0	0	0	111.6	V392	P281-V392 HydrophobicContact CG-CG2 3.69Å
282	G	87.9	Confident	94.7	Very high	52 Å²	52	46.1 Å²	46.1	54%	0.536	24%	0.242	S	C	.	.	S	Bend	trans	169.1	173.9	-179.7	0	0	0	0	0	110.1	V284	G282-V284 PolarHBondContact O-N 3.45Å
283	E	89.4	Confident	94.8	Very high	206 Å²	206	46.7 Å²	46.7	96%	0.963	25%	0.246	S	C	*	.	S	Bend	trans	-54.7	-38.9	174.1	-67.4	-176.4	174.3	0	0	111.5
284	V	88.5	Confident	94.8	Very high	128 Å²	128	47.2 Å²	47.2	78%	0.776	25%	0.249	S	C	*	.	S	Bend	trans	-117.8	108.1	166.6	-176.6	0	0	0	0	107.8	G282	G282-V284 PolarHBondContact O-N 3.45Å
285	P	91.8	Very high	94.8	Very high	47 Å²	47	48.8 Å²	48.8	31%	0.305	26%	0.256	S	S	.	.			trans	-61.8	139.7	-179.3	-22.9	32.5	0	0	0	112.3	R280 Y287	R280-P285 WeakPolarHBondContact O-CA 3.45Å; P285-Y287 HydrophobicContact CB-CD2 4.49Å; P285-Y287 HydrophobicContact CB-CE2 3.84Å; P285-Y287 WeakPolarHBondContact O-CD2 3.28Å
286	F	93.6	Very high	94.8	Very high	71 Å²	71	48 Å²	48	31%	0.311	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114	174.5	-174.9	-85.5	0	0	0	109.8	S279 R280 Y288 T309 A316	S279-F286 CarbonylContact C-O 3.58Å; S279-F286 WeakPolarHBondContact CA-O 3.15Å; S279-F286 WeakPolarHBondContact CB-O 3.42Å; R280-F286 HydrophobicContact CB-CB 4.25Å; R280-F286 PolarHBondContact N-O 3.47Å; R280-F286 PolarHBondContact O-N 3.32Å; R280-F286 VanDerWaalsContact O-N 3.08Å; F286-Y288 HydrophobicContact CD1-CD2 4.42Å; F286-Y288 HydrophobicContact CD1-CE1 4.08Å; F286-Y288 AromaticContact CD1-CE2 3.88Å; F286-Y288 HydrophobicContact CD1-CE2 3.88Å; F286-Y288 AromaticContact CD1-CZ 3.68Å; F286-Y288 HydrophobicContact CE1-CD1 4.19Å; F286-Y288 AromaticContact CE1-CE1 3.68Å; F286-Y288 HydrophobicContact CE1-CE1 3.68Å; F286-Y288 HydrophobicContact CE1-CE2 4.33Å; F286-Y288 AromaticContact CE1-CZ 3.75Å; F286-T309 HydrophobicContact CE1-CG2 3.58Å; F286-T309 HydrophobicContact CZ-CG2 3.66Å; F286-A316 HydrophobicContact CE1-CB 4.4Å
287	Y	94	Very high	94.6	Very high	97 Å²	97	47.8 Å²	47.8	38%	0.38	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133	-172.6	-68.2	-84.5	0	0	0	113.4	P285	P285-Y287 HydrophobicContact CB-CD2 4.49Å; P285-Y287 HydrophobicContact CB-CE2 3.84Å; P285-Y287 WeakPolarHBondContact O-CD2 3.28Å
288	Y	96.7	Very high	94.3	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	27%	0.27	C	S	.	.			trans	-101.4	93.4	167.6	-54	-92.7	0	0	0	107.7	C278 R280 F286 F307 T309 A316 A318 P393	C278-Y288 PolarHBondContact O-N 3.15Å; R280-Y288 HydrophobicContact CB-CE2 4.36Å; F286-Y288 HydrophobicContact CD1-CD2 4.42Å; F286-Y288 HydrophobicContact CD1-CE1 4.08Å; F286-Y288 AromaticContact CD1-CE2 3.88Å; F286-Y288 HydrophobicContact CD1-CE2 3.88Å; F286-Y288 AromaticContact CD1-CZ 3.68Å; F286-Y288 HydrophobicContact CE1-CD1 4.19Å; F286-Y288 AromaticContact CE1-CE1 3.68Å; F286-Y288 HydrophobicContact CE1-CE1 3.68Å; F286-Y288 HydrophobicContact CE1-CE2 4.33Å; F286-Y288 AromaticContact CE1-CZ 3.75Å; Y288-F307 VanDerWaalsContact CB-CB 3.49Å; Y288-F307 WeakPolarHBondContact O-CB 3.48Å; Y288-F307 WeakPolarHBondContact O-CD1 3.43Å; Y288-T309 HydrophobicContact CD1-CG2 4Å; Y288-T309 HydrophobicContact CE1-CG2 4.32Å; Y288-A316 HydrophobicContact CE1-CB 3.78Å; Y288-A318 HydrophobicContact CD1-CB 3.77Å; Y288-A318 HydrophobicContact CD2-CB 3.51Å; Y288-A318 HydrophobicContact CE1-CB 3.88Å; Y288-A318 HydrophobicContact CE2-CB 3.64Å; Y288-A318 HydrophobicContact CG-CB 3.58Å; Y288-P393 HydrophobicContact CE2-CG 4.35Å
289	N	95.3	Very high	94	Very high	47 Å²	47	57 Å²	57	25%	0.251	30%	0.302	S	S	.	.			trans	-89.9	-17.4	-165.9	-76.3	-40.3	0	0	0	114.6	V246 S248 T308	V246-N289 VanDerWaalsContact O-CB 3.27Å; V246-N289 WeakPolarHBondContact O-CB 3.39Å; S248-N289 PolarHBondContact N-O 2.73Å; S248-N289 PolarHBondContact OG-O 3.44Å; N289-T308 PolarHBondContact N-O 3.19Å
290	E	97.1	Very high	93.7	Very high	20 Å²	20	60 Å²	60	9%	0.093	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	100.1	-171.7	-63.4	-166.4	-160.5	0	0	112.2	R234 V246 Q292 F307 T308 N310	R234-E290 IonicContact NE-OE2 3.52Å; V246-E290 HydrophobicContact CB-CG 4.23Å; V246-E290 HydrophobicContact CG1-CG 4Å; E290-Q292 PolarHBondContact O-N 3.25Å; E290-Q292 PolarHBondContact O-NE2 2.97Å; E290-F307 CarbonylContact O-C 3.57Å; E290-F307 WeakPolarHBondContact O-CA 3.5Å; E290-T308 WeakPolarHBondContact CB-O 3.06Å; E290-T308 PolarHBondContact N-O 3.36Å; E290-T308 PolarHBondContact O-N 3.05Å; E290-T308 PolarHBondContact O-OG1 2.77Å; E290-N310 VanDerWaalsContact OE1-CA 3.31Å; E290-N310 WeakPolarHBondContact OE1-CA 3.36Å; E290-N310 PolarHBondContact OE1-ND2 3.23Å
291	L	98.2	Very high	93.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	128.5	174.2	-177.5	76.3	0	0	0	111.1	V220 F232 R234 S248 L276 T294 I306 F307	V220-L291 HydrophobicContact CB-CD2 4.14Å; V220-L291 HydrophobicContact CG1-CD2 4.28Å; V220-L291 HydrophobicContact CG1-CG 4.38Å; V220-L291 HydrophobicContact CG2-CD2 4.08Å; V220-L291 HydrophobicContact CG2-CG 4.15Å; V220-L291 WeakPolarHBondContact CG2-O 3.41Å; F232-L291 HydrophobicContact CB-CD2 3.83Å; R234-L291 WeakPolarHBondContact CD-O 3Å; R234-L291 PolarHBondContact NH1-O 2.81Å; S248-L291 WeakPolarHBondContact OG-CB 3.02Å; S248-L291 PolarHBondContact OG-N 3.38Å; L276-L291 HydrophobicContact CD1-CD2 4.47Å; L291-T294 HydrophobicContact CD1-CG2 3.81Å; L291-T294 HydrophobicContact CD2-CG2 3.86Å; L291-T294 HydrophobicContact CG-CG2 4.24Å; L291-I306 CarbonylContact C-O 3.52Å; L291-I306 WeakPolarHBondContact CA-O 3.3Å; L291-I306 WeakPolarHBondContact CD1-O 3.3Å; L291-F307 HydrophobicContact CB-CD1 4.22Å; L291-F307 HydrophobicContact CB-CE1 4.08Å; L291-F307 HydrophobicContact CD1-CD1 4.25Å; L291-F307 HydrophobicContact CD1-CD2 4.29Å; L291-F307 HydrophobicContact CD1-CE1 3.8Å; L291-F307 HydrophobicContact CD1-CE2 3.81Å; L291-F307 HydrophobicContact CD1-CG 4.48Å; L291-F307 HydrophobicContact CD1-CZ 3.55Å
292	Q	97.2	Very high	94.1	Very high	51 Å²	51	57.6 Å²	57.6	24%	0.238	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-39.7	-179.8	-58.2	-56.5	-30.7	0	0	113.7	V220 E290 I306 T308	V220-Q292 WeakPolarHBondContact CG1-O 3.29Å; E290-Q292 PolarHBondContact O-N 3.25Å; E290-Q292 PolarHBondContact O-NE2 2.97Å; Q292-I306 HydrophobicContact CB-CB 4.5Å; Q292-I306 HydrophobicContact CB-CG2 4Å; Q292-I306 HydrophobicContact CG-CG2 4.34Å; Q292-I306 PolarHBondContact N-O 3.03Å; Q292-T308 HydrophobicContact CG-CG2 3.59Å; Q292-T308 PolarHBondContact NE2-OG1 3.15Å
293	S	97.5	Very high	94.5	Very high	16 Å²	16	55.2 Å²	55.2	11%	0.112	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154	-179.1	-178.2	0	0	0	0	109.8	G305 I306 S403 V405	S293-G305 WeakPolarHBondContact O-CA 3.5Å; S293-I306 PolarHBondContact O-N 3.22Å; S293-S403 WeakPolarHBondContact CB-O 3.49Å; S293-V405 PolarHBondContact OG-N 3.32Å
294	T	98	Very high	94.9	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.067	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162.7	165.2	71	0	0	0	0	111.2	V220 S221 Y223 F232 L291 I303 Y304	V220-T294 HydrophobicContact CG1-CG2 4.39Å; S221-T294 WeakPolarHBondContact CB-OG1 3.45Å; S221-T294 PolarHBondContact OG-OG1 2.77Å; Y223-T294 VanDerWaalsContact CE2-OG1 3.3Å; Y223-T294 WeakPolarHBondContact CE2-OG1 3.5Å; Y223-T294 PolarHBondContact OH-O 2.64Å; Y223-T294 VanDerWaalsContact OH-O 3.1Å; Y223-T294 PolarHBondContact OH-OG1 3.26Å; F232-T294 HydrophobicContact CB-CG2 4.04Å; F232-T294 HydrophobicContact CD1-CG2 4.16Å; F232-T294 HydrophobicContact CG-CG2 4.1Å; L291-T294 HydrophobicContact CD1-CG2 3.81Å; L291-T294 HydrophobicContact CD2-CG2 3.86Å; L291-T294 HydrophobicContact CG-CG2 4.24Å; T294-I303 HydrophobicContact CG2-CG2 4.4Å; T294-Y304 CarbonylContact C-O 3.58Å; T294-Y304 WeakPolarHBondContact CA-O 3.39Å; T294-Y304 VanDerWaalsContact CB-O 3.25Å; T294-Y304 WeakPolarHBondContact CB-O 3.36Å
295	F	97.4	Very high	95.3	Very high	34 Å²	34	39.5 Å²	39.5	15%	0.149	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	124.4	172.4	-174.9	-87.1	0	0	0	109	Y223 L297 I303 Y304 V405 A406 V407 I464 H466	Y223-F295 WeakPolarHBondContact OH-CA 3.32Å; Y223-F295 PolarHBondContact OH-N 3.12Å; F295-L297 HydrophobicContact CE1-CD1 4.41Å; F295-I303 WeakPolarHBondContact O-CA 3.5Å; F295-Y304 PolarHBondContact N-O 3.43Å; F295-Y304 PolarHBondContact O-N 2.93Å; F295-V405 HydrophobicContact CB-CG1 4.02Å; F295-V405 HydrophobicContact CB-CG2 4.44Å; F295-A406 HydrophobicContact CE2-CB 4.46Å; F295-V407 HydrophobicContact CB-CG2 4.39Å; F295-V407 HydrophobicContact CD1-CB 3.67Å; F295-V407 HydrophobicContact CD1-CG2 3.83Å; F295-V407 HydrophobicContact CE1-CB 3.77Å; F295-V407 HydrophobicContact CE1-CG2 4.43Å; F295-V407 WeakPolarHBondContact CE1-O 3.46Å; F295-V407 HydrophobicContact CG-CB 4.43Å; F295-V407 HydrophobicContact CG-CG2 4.24Å; F295-V407 WeakPolarHBondContact CZ-O 3.16Å; F295-I464 HydrophobicContact CE2-CG2 3.7Å; F295-I464 HydrophobicContact CZ-CG2 3.8Å; F295-H466 AromaticContact CZ-CE1 3.8Å; F295-H466 AromaticContact CZ-NE2 3.88Å
296	F	97	Very high	95.6	Very high	32 Å²	32	37.2 Å²	37.2	14%	0.14	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.8	176.5	177.5	-130.5	0	0	0	110.2	Y223 I225 P298 L302 I303	Y223-F296 HydrophobicContact CD1-CB 3.67Å; Y223-F296 HydrophobicContact CD1-CD1 4.32Å; Y223-F296 HydrophobicContact CD1-CG 4.37Å; Y223-F296 HydrophobicContact CD2-CB 4.14Å; Y223-F296 HydrophobicContact CE1-CB 3.49Å; Y223-F296 VanDerWaalsContact CE1-CB 3.49Å; Y223-F296 HydrophobicContact CE2-CB 3.97Å; Y223-F296 HydrophobicContact CG-CB 4Å; Y223-F296 HydrophobicContact CG-CG 4.46Å; Y223-F296 PolarHBondContact OH-N 3.18Å; I225-F296 HydrophobicContact CD1-CD1 4.18Å; I225-F296 HydrophobicContact CD1-CD2 4.31Å; I225-F296 HydrophobicContact CD1-CE1 3.86Å; I225-F296 HydrophobicContact CD1-CE2 4Å; I225-F296 HydrophobicContact CD1-CG 4.4Å; I225-F296 HydrophobicContact CD1-CZ 3.76Å; I225-F296 HydrophobicContact CG1-CD1 4.43Å; I225-F296 HydrophobicContact CG1-CE1 3.9Å; I225-F296 HydrophobicContact CG1-CZ 4.11Å; I225-F296 HydrophobicContact CG2-CZ 4.41Å; F296-P298 HydrophobicContact CD1-CG 3.9Å; F296-P298 HydrophobicContact CE1-CB 3.89Å; F296-P298 HydrophobicContact CE1-CG 3.75Å; F296-P298 HydrophobicContact CZ-CB 4.17Å; F296-P298 HydrophobicContact CZ-CG 4.42Å; F296-P298 WeakPolarHBondContact O-CD 3.33Å; F296-L302 WeakPolarHBondContact CD2-O 3.48Å; F296-I303 HydrophobicContact CB-CG1 4.46Å; F296-I303 HydrophobicContact CD2-CD1 4.38Å; F296-I303 HydrophobicContact CD2-CG1 3.67Å; F296-I303 HydrophobicContact CE2-CG1 4.41Å; F296-I303 HydrophobicContact CG-CG1 4.46Å
297	L	93.9	Very high	95.9	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	97.5	173.9	-173.5	71.4	0	0	0	108.5	F295 E299 L300 D301 L302 V409	F295-L297 HydrophobicContact CE1-CD1 4.41Å; L297-E299 VanDerWaalsContact C-N 3.29Å; L297-E299 VanDerWaalsContact CD1-OE2 3.29Å; L297-E299 WeakPolarHBondContact CD1-OE2 3.48Å; L297-E299 PolarHBondContact O-N 2.8Å; L297-L300 HydrophobicContact CD2-CB 4.22Å; L297-L300 HydrophobicContact CD2-CD1 3.72Å; L297-L300 HydrophobicContact CD2-CG 4.07Å; L297-L300 PolarHBondContact O-N 3.04Å; L297-D301 PolarHBondContact O-N 2.93Å; L297-L302 PolarHBondContact N-O 3.11Å; L297-L302 PolarHBondContact O-N 3.12Å; L297-V409 HydrophobicContact CD1-CG2 3.97Å; L297-V409 HydrophobicContact CD2-CG2 3.6Å; L297-V409 HydrophobicContact CG-CG2 4.39Å
298	P	92.1	Very high	96	Very high	72 Å²	72	29.4 Å²	29.4	47%	0.468	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-61.7	-32.7	-171.4	-22.4	32.8	0	0	0	114.2	F296 L300 D301	F296-P298 HydrophobicContact CD1-CG 3.9Å; F296-P298 HydrophobicContact CE1-CB 3.89Å; F296-P298 HydrophobicContact CE1-CG 3.75Å; F296-P298 HydrophobicContact CZ-CB 4.17Å; F296-P298 HydrophobicContact CZ-CG 4.42Å; F296-P298 WeakPolarHBondContact O-CD 3.33Å; P298-L300 PolarHBondContact O-N 2.97Å; P298-D301 PolarHBondContact O-N 2.92Å
299	E	89.3	Confident	96	Very high	144 Å²	144	29.7 Å²	29.7	67%	0.673	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-66.7	-22.6	-174.2	-59.2	75.6	-163.7	0	0	112.9	L297	L297-E299 VanDerWaalsContact C-N 3.29Å; L297-E299 VanDerWaalsContact CD1-OE2 3.29Å; L297-E299 WeakPolarHBondContact CD1-OE2 3.48Å; L297-E299 PolarHBondContact O-N 2.8Å
300	L	90.7	Very high	95.9	Very high	78 Å²	78	30.7 Å²	30.7	41%	0.408	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-120.8	1.8	-176.6	-60.6	-177.9	0	0	0	113.4	L297 P298 L302 H418	L297-L300 HydrophobicContact CD2-CB 4.22Å; L297-L300 HydrophobicContact CD2-CD1 3.72Å; L297-L300 HydrophobicContact CD2-CG 4.07Å; L297-L300 PolarHBondContact O-N 3.04Å; P298-L300 PolarHBondContact O-N 2.97Å; L300-L302 HydrophobicContact CB-CB 4.48Å; L300-L302 HydrophobicContact CB-CD1 3.96Å; L300-L302 HydrophobicContact CB-CG 3.87Å; L300-L302 HydrophobicContact CD1-CD1 4.19Å; L300-L302 WeakPolarHBondContact O-CG 3.42Å; L300-L302 PolarHBondContact O-N 3.18Å; L300-H418 VanDerWaalsContact CD1-NE2 3.27Å; L300-H418 WeakPolarHBondContact CD1-NE2 3.42Å
301	D	95	Very high	95.5	Very high	78 Å²	78	34.7 Å²	34.7	42%	0.417	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	38	-173.1	-71.2	-40.3	0	0	0	113.6	L297 P298 L324	L297-D301 PolarHBondContact O-N 2.93Å; P298-D301 PolarHBondContact O-N 2.92Å; D301-L324 HydrophobicContact CB-CB 4.03Å; D301-L324 PolarHBondContact O-N 3.42Å
302	L	95.3	Very high	94.9	Very high	22 Å²	22	42.1 Å²	42.1	12%	0.115	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.7	-177.9	-64.4	-179	0	0	0	112.1	F296 L297 L300 Y304 V321 N323 V389	F296-L302 WeakPolarHBondContact CD2-O 3.48Å; L297-L302 PolarHBondContact N-O 3.11Å; L297-L302 PolarHBondContact O-N 3.12Å; L300-L302 HydrophobicContact CB-CB 4.48Å; L300-L302 HydrophobicContact CB-CD1 3.96Å; L300-L302 HydrophobicContact CB-CG 3.87Å; L300-L302 HydrophobicContact CD1-CD1 4.19Å; L300-L302 WeakPolarHBondContact O-CG 3.42Å; L300-L302 PolarHBondContact O-N 3.18Å; L302-Y304 HydrophobicContact CB-CE2 4.16Å; L302-V321 HydrophobicContact CB-CG1 4.1Å; L302-V321 HydrophobicContact CD1-CG1 4.19Å; L302-V321 HydrophobicContact CD2-CG1 4.08Å; L302-V321 HydrophobicContact CG-CG1 4.34Å; L302-N323 HydrophobicContact CD2-CB 4.15Å; L302-V389 HydrophobicContact CD2-CG2 4.17Å
303	I	97.4	Very high	94.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.7	173.4	-60.8	177	0	0	0	108.8	F232 T294 F295 F296 V321 F322 I327	F232-I303 HydrophobicContact CE1-CD1 4.22Å; F232-I303 HydrophobicContact CE1-CG2 4.23Å; F232-I303 HydrophobicContact CE2-CD1 3.89Å; F232-I303 HydrophobicContact CZ-CD1 3.36Å; F232-I303 HydrophobicContact CZ-CG2 4.23Å; T294-I303 HydrophobicContact CG2-CG2 4.4Å; F295-I303 WeakPolarHBondContact O-CA 3.5Å; F296-I303 HydrophobicContact CB-CG1 4.46Å; F296-I303 HydrophobicContact CD2-CD1 4.38Å; F296-I303 HydrophobicContact CD2-CG1 3.67Å; F296-I303 HydrophobicContact CE2-CG1 4.41Å; F296-I303 HydrophobicContact CG-CG1 4.46Å; I303-V321 WeakPolarHBondContact O-CA 3.48Å; I303-F322 PolarHBondContact N-O 2.97Å; I303-F322 PolarHBondContact O-N 2.97Å; I303-I327 HydrophobicContact CD1-CD1 3.93Å
304	Y	97.2	Very high	94.1	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.2	171.4	-69.6	-103.7	0	0	0	108.8	T294 F295 L302 V319 V321 V407 H418 I420	T294-Y304 CarbonylContact C-O 3.58Å; T294-Y304 WeakPolarHBondContact CA-O 3.39Å; T294-Y304 VanDerWaalsContact CB-O 3.25Å; T294-Y304 WeakPolarHBondContact CB-O 3.36Å; F295-Y304 PolarHBondContact N-O 3.43Å; F295-Y304 PolarHBondContact O-N 2.93Å; L302-Y304 HydrophobicContact CB-CE2 4.16Å; Y304-V319 HydrophobicContact CD1-CG1 4.31Å; Y304-V321 HydrophobicContact CD1-CG2 3.44Å; Y304-V321 VanDerWaalsContact CD1-CG2 3.44Å; Y304-V321 HydrophobicContact CE1-CB 4.47Å; Y304-V321 HydrophobicContact CE1-CG1 4.33Å; Y304-V321 HydrophobicContact CE1-CG2 3.31Å; Y304-V321 HydrophobicContact CE2-CG1 4.26Å; Y304-V321 HydrophobicContact CG-CG2 4.14Å; Y304-V407 HydrophobicContact CD1-CG2 3.88Å; Y304-V407 HydrophobicContact CD2-CB 4.44Å; Y304-V407 HydrophobicContact CD2-CG1 4.46Å; Y304-V407 HydrophobicContact CD2-CG2 3.81Å; Y304-V407 HydrophobicContact CE1-CG1 4.4Å; Y304-V407 HydrophobicContact CE1-CG2 4.29Å; Y304-V407 HydrophobicContact CE2-CB 4.5Å; Y304-V407 HydrophobicContact CE2-CG1 4.05Å; Y304-V407 HydrophobicContact CE2-CG2 4.22Å; Y304-V407 HydrophobicContact CG-CG2 3.66Å; Y304-H418 PolarHBondContact OH-CE1 2.91Å; Y304-H418 PolarHBondContact OH-ND1 3.12Å; Y304-I420 HydrophobicContact CD1-CD1 3.77Å; Y304-I420 HydrophobicContact CD1-CG1 4.37Å; Y304-I420 HydrophobicContact CE1-CD1 3.64Å; Y304-I420 HydrophobicContact CE1-CG1 4.16Å
305	G	97.7	Very high	93.8	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.7	176	0	0	0	0	0	111.5	S293 F307 V319 C320	S293-G305 WeakPolarHBondContact O-CA 3.5Å; G305-F307 WeakPolarHBondContact O-CD2 3.39Å; G305-F307 WeakPolarHBondContact O-CE2 3.28Å; G305-V319 WeakPolarHBondContact O-CA 3.42Å; G305-C320 PolarHBondContact N-O 2.89Å; G305-C320 PolarHBondContact O-N 2.9Å
306	I	98.1	Very high	93.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.9	167.3	-71.6	169.5	0	0	0	108.7	L291 Q292 S293 V319 F402 H404 V405 L422	L291-I306 CarbonylContact C-O 3.52Å; L291-I306 WeakPolarHBondContact CA-O 3.3Å; L291-I306 WeakPolarHBondContact CD1-O 3.3Å; Q292-I306 HydrophobicContact CB-CB 4.5Å; Q292-I306 HydrophobicContact CB-CG2 4Å; Q292-I306 HydrophobicContact CG-CG2 4.34Å; Q292-I306 PolarHBondContact N-O 3.03Å; S293-I306 PolarHBondContact O-N 3.22Å; I306-V319 HydrophobicContact CG1-CG2 4.39Å; I306-F402 HydrophobicContact CD1-CB 3.92Å; I306-F402 HydrophobicContact CG1-CB 4.3Å; I306-F402 HydrophobicContact CG2-CB 3.56Å; I306-H404 WeakPolarHBondContact CD1-O 3.35Å; I306-V405 HydrophobicContact CD1-CB 3.55Å; I306-V405 HydrophobicContact CD1-CG1 3.95Å; I306-V405 HydrophobicContact CG1-CB 3.92Å; I306-V405 HydrophobicContact CG1-CG1 4.05Å; I306-L422 HydrophobicContact CD1-CD2 3.86Å; I306-L422 HydrophobicContact CG1-CD2 4.01Å
307	F	98.2	Very high	93.7	Very high	1 Å²	1	45 Å²	45	0%	0.004	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.3	174.8	-61.1	-102.6	0	0	0	110.2	L276 C278 Y288 E290 L291 G305 S317 A318 C320 F322	L276-F307 HydrophobicContact CB-CE1 4.1Å; L276-F307 HydrophobicContact CB-CZ 4.11Å; L276-F307 HydrophobicContact CD1-CZ 4.27Å; C278-F307 HydrophobicContact CB-CB 4.11Å; C278-F307 HydrophobicContact CB-CD1 3.9Å; C278-F307 HydrophobicContact CB-CD2 3.59Å; C278-F307 HydrophobicContact CB-CE1 4.19Å; C278-F307 HydrophobicContact CB-CE2 3.94Å; C278-F307 HydrophobicContact CB-CG 3.59Å; C278-F307 HydrophobicContact CB-CZ 4.22Å; C278-F307 VanDerWaalsContact SG-CD2 3.58Å; Y288-F307 VanDerWaalsContact CB-CB 3.49Å; Y288-F307 WeakPolarHBondContact O-CB 3.48Å; Y288-F307 WeakPolarHBondContact O-CD1 3.43Å; E290-F307 CarbonylContact O-C 3.57Å; E290-F307 WeakPolarHBondContact O-CA 3.5Å; L291-F307 HydrophobicContact CB-CD1 4.22Å; L291-F307 HydrophobicContact CB-CE1 4.08Å; L291-F307 HydrophobicContact CD1-CD1 4.25Å; L291-F307 HydrophobicContact CD1-CD2 4.29Å; L291-F307 HydrophobicContact CD1-CE1 3.8Å; L291-F307 HydrophobicContact CD1-CE2 3.81Å; L291-F307 HydrophobicContact CD1-CG 4.48Å; L291-F307 HydrophobicContact CD1-CZ 3.55Å; G305-F307 WeakPolarHBondContact O-CD2 3.39Å; G305-F307 WeakPolarHBondContact O-CE2 3.28Å; F307-S317 CarbonylContact O-C 3.55Å; F307-S317 WeakPolarHBondContact O-CA 3.35Å; F307-A318 PolarHBondContact N-O 2.89Å; F307-A318 PolarHBondContact O-N 3.47Å; F307-C320 HydrophobicContact CD2-CB 4.23Å; F307-C320 HydrophobicContact CE2-CB 3.99Å; F307-F322 AromaticContact CE2-CE2 3.63Å; F307-F322 HydrophobicContact CE2-CE2 3.63Å; F307-F322 AromaticContact CE2-CZ 3.98Å; F307-F322 HydrophobicContact CE2-CZ 3.98Å; F307-F322 AromaticContact CZ-CE2 3.57Å; F307-F322 HydrophobicContact CZ-CE2 3.57Å; F307-F322 AromaticContact CZ-CZ 3.72Å; F307-F322 HydrophobicContact CZ-CZ 3.72Å
308	T	97.6	Very high	93.8	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	160.8	175.5	63.5	0	0	0	0	111	N289 E290 Q292 A316	N289-T308 PolarHBondContact N-O 3.19Å; E290-T308 WeakPolarHBondContact CB-O 3.06Å; E290-T308 PolarHBondContact N-O 3.36Å; E290-T308 PolarHBondContact O-N 3.05Å; E290-T308 PolarHBondContact O-OG1 2.77Å; Q292-T308 HydrophobicContact CG-CG2 3.59Å; Q292-T308 PolarHBondContact NE2-OG1 3.15Å; T308-A316 WeakPolarHBondContact CA-O 3.15Å
309	T	95.8	Very high	94	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.043	23%	0.227	C	C	.	.			trans	-73.7	163.1	161.9	59.3	0	0	0	0	110.8	F286 Y288 S313 I314 A316 R401	F286-T309 HydrophobicContact CE1-CG2 3.58Å; F286-T309 HydrophobicContact CZ-CG2 3.66Å; Y288-T309 HydrophobicContact CD1-CG2 4Å; Y288-T309 HydrophobicContact CE1-CG2 4.32Å; T309-S313 WeakPolarHBondContact CB-OG 3.2Å; T309-I314 WeakPolarHBondContact CB-O 3.25Å; T309-I314 PolarHBondContact OG1-O 3.01Å; T309-A316 HydrophobicContact CG2-CB 3.9Å; T309-A316 PolarHBondContact N-O 3.41Å; T309-A316 PolarHBondContact OG1-N 3.49Å; T309-A316 VanDerWaalsContact OG1-N 3.1Å; T309-A316 PolarHBondContact OG1-O 3.29Å; T309-R401 PolarHBondContact O-NH1 2.86Å
310	N	92.4	Very high	94.4	Very high	68 Å²	68	34.7 Å²	34.7	36%	0.364	20%	0.196	S	C	.	.			trans	-56.9	146.7	177.7	-173.9	-72.9	0	0	0	111.4	E290 N312 S313 R401	E290-N310 VanDerWaalsContact OE1-CA 3.31Å; E290-N310 WeakPolarHBondContact OE1-CA 3.36Å; E290-N310 PolarHBondContact OE1-ND2 3.23Å; N310-N312 PolarHBondContact O-N 3.17Å; N310-N312 WeakPolarHBondContact OD1-CB 3.23Å; N310-N312 PolarHBondContact OD1-N 2.86Å; N310-S313 PolarHBondContact N-OG 2.92Å; N310-S313 VanDerWaalsContact N-OG 3.16Å; N310-S313 PolarHBondContact O-N 2.75Å; N310-S313 PolarHBondContact O-OG 2.92Å; N310-R401 PolarHBondContact O-NH2 3.49Å
311	V	88.7	Confident	94.6	Very high	104 Å²	104	31.4 Å²	31.4	63%	0.63	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.2	-179.8	-176.1	0	0	0	0	112.7	S313 R401	V311-S313 VanDerWaalsContact C-N 3.31Å; V311-S313 PolarHBondContact O-N 3.45Å; V311-R401 VanDerWaalsContact CA-NH2 3.34Å
312	N	87.5	Confident	94.7	Very high	157 Å²	157	27.8 Å²	27.8	84%	0.84	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-1.2	179.5	-62	-28.3	0	0	0	113.8	N310	N310-N312 PolarHBondContact O-N 3.17Å; N310-N312 WeakPolarHBondContact OD1-CB 3.23Å; N310-N312 PolarHBondContact OD1-N 2.86Å
313	S	88.2	Confident	94.8	Very high	55 Å²	55	29.3 Å²	29.3	39%	0.385	17%	0.168	S	C	.	.	S	Bend	trans	-104.6	175.2	176.7	67.8	0	0	0	0	111.2	T309 N310 V311 A315	T309-S313 WeakPolarHBondContact CB-OG 3.2Å; N310-S313 PolarHBondContact N-OG 2.92Å; N310-S313 VanDerWaalsContact N-OG 3.16Å; N310-S313 PolarHBondContact O-N 2.75Å; N310-S313 PolarHBondContact O-OG 2.92Å; V311-S313 VanDerWaalsContact C-N 3.31Å; V311-S313 PolarHBondContact O-N 3.45Å; S313-A315 PolarHBondContact O-N 3.42Å; S313-A315 VanDerWaalsContact O-N 3.15Å
314	I	88.3	Confident	94.6	Very high	122 Å²	122	30.3 Å²	30.3	63%	0.626	17%	0.173	S	C	*	.			trans	-54.1	123.3	173.9	-59.9	171	0	0	0	108.2	T309 A316	T309-I314 WeakPolarHBondContact CB-O 3.25Å; T309-I314 PolarHBondContact OG1-O 3.01Å; I314-A316 PolarHBondContact O-N 2.73Å
315	A	92.4	Very high	94.6	Very high	27 Å²	27	33.6 Å²	33.6	22%	0.223	20%	0.197	C	C	.	.			trans	-62.3	119.4	179.8	0	0	0	0	0	109	S313 N399 R401	S313-A315 PolarHBondContact O-N 3.42Å; S313-A315 VanDerWaalsContact O-N 3.15Å; A315-N399 WeakPolarHBondContact O-CA 3.32Å; A315-N399 PolarHBondContact O-N 3.07Å; A315-R401 HydrophobicContact CB-CG 4.19Å
316	A	95.1	Very high	94.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	146.8	172.8	0	0	0	0	0	108.9	F286 Y288 T308 T309 I314 E397 S400	F286-A316 HydrophobicContact CE1-CB 4.4Å; Y288-A316 HydrophobicContact CE1-CB 3.78Å; T308-A316 WeakPolarHBondContact CA-O 3.15Å; T309-A316 HydrophobicContact CG2-CB 3.9Å; T309-A316 PolarHBondContact N-O 3.41Å; T309-A316 PolarHBondContact OG1-N 3.49Å; T309-A316 VanDerWaalsContact OG1-N 3.1Å; T309-A316 PolarHBondContact OG1-O 3.29Å; I314-A316 PolarHBondContact O-N 2.73Å; A316-E397 WeakPolarHBondContact CA-O 3.29Å; A316-S400 CarbonylContact C-O 3.57Å
317	S	97	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.1	-178.4	-59.3	0	0	0	0	111.2	F307 M396 E397 S400 R401 F402	F307-S317 CarbonylContact O-C 3.55Å; F307-S317 WeakPolarHBondContact O-CA 3.35Å; S317-M396 CarbonylContact O-C 3.52Å; S317-M396 VanDerWaalsContact O-CA 3.29Å; S317-M396 WeakPolarHBondContact O-CA 3.14Å; S317-E397 PolarHBondContact N-O 3.48Å; S317-E397 PolarHBondContact O-N 3.11Å; S317-S400 PolarHBondContact N-O 3.36Å; S317-S400 PolarHBondContact OG-O 2.83Å; S317-R401 WeakPolarHBondContact OG-CA 3.42Å; S317-F402 PolarHBondContact OG-N 2.96Å
318	A	96.4	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.8	178.4	0	0	0	0	0	111	Y288 F307 P393 F395 M396	Y288-A318 HydrophobicContact CD1-CB 3.77Å; Y288-A318 HydrophobicContact CD2-CB 3.51Å; Y288-A318 HydrophobicContact CE1-CB 3.88Å; Y288-A318 HydrophobicContact CE2-CB 3.64Å; Y288-A318 HydrophobicContact CG-CB 3.58Å; F307-A318 PolarHBondContact N-O 2.89Å; F307-A318 PolarHBondContact O-N 3.47Å; A318-P393 HydrophobicContact CB-CB 3.89Å; A318-P393 HydrophobicContact CB-CG 4.08Å; A318-F395 CarbonylContact C-O 3.55Å; A318-F395 WeakPolarHBondContact CA-O 3.45Å; A318-M396 HydrophobicContact CB-CB 4.23Å
319	V	96.7	Very high	94.1	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.4	173	-175.8	0	0	0	0	107.8	Y304 G305 I306 P393 S394 F395 F402 I420 L422	Y304-V319 HydrophobicContact CD1-CG1 4.31Å; G305-V319 WeakPolarHBondContact O-CA 3.42Å; I306-V319 HydrophobicContact CG1-CG2 4.39Å; V319-P393 CarbonylContact O-C 3.55Å; V319-P393 WeakPolarHBondContact O-CB 3.39Å; V319-S394 PolarHBondContact O-N 3.28Å; V319-F395 HydrophobicContact CB-CB 4.36Å; V319-F395 HydrophobicContact CG2-CB 4.33Å; V319-F395 PolarHBondContact N-O 3.2Å; V319-F402 HydrophobicContact CG2-CD2 4.38Å; V319-I420 HydrophobicContact CG1-CD1 4.16Å; V319-L422 HydrophobicContact CG2-CD1 3.81Å; V319-L422 HydrophobicContact CG2-CD2 3.61Å; V319-L422 HydrophobicContact CG2-CG 4.36Å
320	C	96.3	Very high	94.2	Very high	1 Å²	1	43 Å²	43	1%	0.007	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.8	174.4	-76.4	0	0	0	0	109.8	C278 G305 F307 F322 P388	C278-C320 WeakPolarHBondContact CA-SG 3.49Å; C278-C320 HydrophobicContact CB-CB 3.79Å; C278-C320 WeakPolarHBondContact CB-SG 3.41Å; C278-C320 WeakPolarHBondContact SG-CB 3.4Å; C278-C320 CovalentContact SG-SG 2.05Å; C278-C320 PolarHBondContact SG-SG 2.95Å; G305-C320 PolarHBondContact N-O 2.89Å; G305-C320 PolarHBondContact O-N 2.9Å; F307-C320 HydrophobicContact CD2-CB 4.23Å; F307-C320 HydrophobicContact CE2-CB 3.99Å; C320-F322 HydrophobicContact CB-CE2 3.92Å; C320-F322 HydrophobicContact CB-CZ 3.85Å; C320-P388 HydrophobicContact CB-CB 4.25Å
321	V	95.7	Very high	94.3	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.2	-180	-174.3	0	0	0	0	108.6	L302 I303 Y304 P388 V389 S394	L302-V321 HydrophobicContact CB-CG1 4.1Å; L302-V321 HydrophobicContact CD1-CG1 4.19Å; L302-V321 HydrophobicContact CD2-CG1 4.08Å; L302-V321 HydrophobicContact CG-CG1 4.34Å; I303-V321 WeakPolarHBondContact O-CA 3.48Å; Y304-V321 HydrophobicContact CD1-CG2 3.44Å; Y304-V321 VanDerWaalsContact CD1-CG2 3.44Å; Y304-V321 HydrophobicContact CE1-CB 4.47Å; Y304-V321 HydrophobicContact CE1-CG1 4.33Å; Y304-V321 HydrophobicContact CE1-CG2 3.31Å; Y304-V321 HydrophobicContact CE2-CG1 4.26Å; Y304-V321 HydrophobicContact CG-CG2 4.14Å; V321-P388 CarbonylContact O-C 3.55Å; V321-P388 VanDerWaalsContact O-CA 3.22Å; V321-P388 WeakPolarHBondContact O-CA 3.06Å; V321-P388 WeakPolarHBondContact O-CB 3.33Å; V321-V389 HydrophobicContact CB-CG2 4.48Å; V321-V389 HydrophobicContact CG1-CG2 4.21Å; V321-V389 WeakPolarHBondContact O-CG2 3.47Å; V321-V389 PolarHBondContact O-N 3.44Å; V321-S394 WeakPolarHBondContact CG2-OG 3.27Å
322	F	96.8	Very high	94.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.8	178.9	-56	-83.6	0	0	0	109.6	L276 N277 I303 F307 C320 I327 V386 P388	L276-F322 HydrophobicContact CB-CE1 4.44Å; L276-F322 HydrophobicContact CB-CZ 4.13Å; L276-F322 HydrophobicContact CD2-CD1 4Å; L276-F322 HydrophobicContact CD2-CD2 4.13Å; L276-F322 HydrophobicContact CD2-CE1 3.94Å; L276-F322 HydrophobicContact CD2-CE2 4.09Å; L276-F322 HydrophobicContact CD2-CG 4.08Å; L276-F322 HydrophobicContact CD2-CZ 3.99Å; N277-F322 VanDerWaalsContact O-CE1 3.26Å; N277-F322 WeakPolarHBondContact O-CE1 3.14Å; N277-F322 VanDerWaalsContact O-CZ 3.27Å; N277-F322 WeakPolarHBondContact O-CZ 3.46Å; I303-F322 PolarHBondContact N-O 2.97Å; I303-F322 PolarHBondContact O-N 2.97Å; F307-F322 AromaticContact CE2-CE2 3.63Å; F307-F322 HydrophobicContact CE2-CE2 3.63Å; F307-F322 AromaticContact CE2-CZ 3.98Å; F307-F322 HydrophobicContact CE2-CZ 3.98Å; F307-F322 AromaticContact CZ-CE2 3.57Å; F307-F322 HydrophobicContact CZ-CE2 3.57Å; F307-F322 AromaticContact CZ-CZ 3.72Å; F307-F322 HydrophobicContact CZ-CZ 3.72Å; C320-F322 HydrophobicContact CB-CE2 3.92Å; C320-F322 HydrophobicContact CB-CZ 3.85Å; F322-I327 HydrophobicContact CB-CD1 4.32Å; F322-V386 HydrophobicContact CD1-CG1 3.71Å; F322-V386 HydrophobicContact CE1-CG1 4.38Å; F322-V386 HydrophobicContact CG-CG1 4.41Å; F322-P388 HydrophobicContact CD1-CB 4.28Å; F322-P388 HydrophobicContact CE1-CB 4Å
323	N	96.2	Very high	95	Very high	55 Å²	55	29.4 Å²	29.4	29%	0.294	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	138.1	170.2	-170.3	-44.5	0	0	0	108.9	L302 S325 A326 I327 V389	L302-N323 HydrophobicContact CD2-CB 4.15Å; N323-S325 PolarHBondContact O-N 3.35Å; N323-S325 WeakPolarHBondContact OD1-CB 3.49Å; N323-S325 PolarHBondContact OD1-N 3.45Å; N323-S325 PolarHBondContact OD1-OG 3.04Å; N323-A326 WeakPolarHBondContact O-CB 3.25Å; N323-A326 PolarHBondContact O-N 3.37Å; N323-I327 PolarHBondContact O-N 3.03Å; N323-V389 HydrophobicContact CB-CG2 4.07Å
324	L	95.1	Very high	95.4	Very high	22 Å²	22	28.5 Å²	28.5	12%	0.115	17%	0.172	C	C	.	.	H	α-helix	trans	-56.6	-33.1	177.1	-170.2	66.9	0	0	0	112.3	I225 Y230 D301 A326 I327 A328	I225-L324 HydrophobicContact CD1-CD1 4.2Å; I225-L324 HydrophobicContact CG2-CD2 3.63Å; Y230-L324 HydrophobicContact CE1-CD1 4.16Å; Y230-L324 HydrophobicContact CE2-CD1 4.18Å; D301-L324 HydrophobicContact CB-CB 4.03Å; D301-L324 PolarHBondContact O-N 3.42Å; L324-A326 PolarHBondContact O-N 2.95Å; L324-I327 WeakPolarHBondContact O-CB 3.49Å; L324-I327 PolarHBondContact O-N 3.48Å; L324-A328 PolarHBondContact O-N 3.11Å
325	S	95.3	Very high	95.8	Very high	72 Å²	72	22.9 Å²	22.9	50%	0.503	14%	0.143	S	C	.	.	H	α-helix	trans	-61.7	-39.6	174.5	59.2	0	0	0	0	113	N323 I327 A328 Q329	N323-S325 PolarHBondContact O-N 3.35Å; N323-S325 WeakPolarHBondContact OD1-CB 3.49Å; N323-S325 PolarHBondContact OD1-N 3.45Å; N323-S325 PolarHBondContact OD1-OG 3.04Å; S325-I327 VanDerWaalsContact C-N 3.33Å; S325-I327 PolarHBondContact O-N 3.35Å; S325-A328 PolarHBondContact O-N 2.88Å; S325-Q329 WeakPolarHBondContact O-CB 3.25Å; S325-Q329 PolarHBondContact O-N 2.95Å
326	A	96.3	Very high	95.8	Very high	23 Å²	23	24 Å²	24	19%	0.19	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-36.7	176.3	0	0	0	0	0	111.6	N323 L324 Q329 A330 V386	N323-A326 WeakPolarHBondContact O-CB 3.25Å; N323-A326 PolarHBondContact O-N 3.37Å; L324-A326 PolarHBondContact O-N 2.95Å; A326-Q329 PolarHBondContact O-N 2.9Å; A326-A330 PolarHBondContact O-N 2.75Å; A326-V386 HydrophobicContact CB-CG1 4.48Å
327	I	96.5	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-47.2	172.8	-64.6	170.7	0	0	0	110.1	Y230 F232 A250 I303 F322 N323 L324 S325 Q329 A330 F331 V386	Y230-I327 HydrophobicContact CD1-CG2 4.36Å; Y230-I327 HydrophobicContact CE1-CG2 3.83Å; F232-I327 HydrophobicContact CE1-CD1 4.35Å; F232-I327 HydrophobicContact CZ-CD1 4.17Å; A250-I327 HydrophobicContact CB-CG2 4.48Å; I303-I327 HydrophobicContact CD1-CD1 3.93Å; F322-I327 HydrophobicContact CB-CD1 4.32Å; N323-I327 PolarHBondContact O-N 3.03Å; L324-I327 WeakPolarHBondContact O-CB 3.49Å; L324-I327 PolarHBondContact O-N 3.48Å; S325-I327 VanDerWaalsContact C-N 3.33Å; S325-I327 PolarHBondContact O-N 3.35Å; I327-Q329 VanDerWaalsContact C-N 3.32Å; I327-Q329 PolarHBondContact O-N 3.14Å; I327-A330 PolarHBondContact O-N 2.87Å; I327-F331 HydrophobicContact CG2-CD2 3.77Å; I327-F331 HydrophobicContact CG2-CE2 3.37Å; I327-F331 HydrophobicContact CG2-CZ 4.43Å; I327-F331 WeakPolarHBondContact O-CD2 3.26Å; I327-F331 PolarHBondContact O-N 2.93Å; I327-F331 VanDerWaalsContact O-N 3.13Å; I327-V386 HydrophobicContact CB-CG1 4.48Å; I327-V386 HydrophobicContact CG1-CG1 3.59Å; I327-V386 HydrophobicContact CG1-CG2 4.31Å
328	A	94.6	Very high	95.4	Very high	32 Å²	32	27.5 Å²	27.5	26%	0.264	16%	0.157	S	C	.	.	H	α-helix	trans	-63.2	-37	178.1	0	0	0	0	0	112.8	L324 S325 F331 S332	L324-A328 PolarHBondContact O-N 3.11Å; S325-A328 PolarHBondContact O-N 2.88Å; A328-F331 PolarHBondContact O-N 2.81Å; A328-S332 PolarHBondContact O-N 3.46Å; A328-S332 VanDerWaalsContact O-N 3.08Å; A328-S332 PolarHBondContact O-OG 3.47Å
329	Q	95.4	Very high	94.9	Very high	147 Å²	147	34.8 Å²	34.8	69%	0.687	19%	0.191	S	C	*	.	H	α-helix	trans	-63.3	-46	174.3	-174.9	-177.9	5.6	0	0	111.1	S325 A326 I327 F331 S332 G333	S325-Q329 WeakPolarHBondContact O-CB 3.25Å; S325-Q329 PolarHBondContact O-N 2.95Å; A326-Q329 PolarHBondContact O-N 2.9Å; I327-Q329 VanDerWaalsContact C-N 3.32Å; I327-Q329 PolarHBondContact O-N 3.14Å; Q329-F331 VanDerWaalsContact C-N 3.28Å; Q329-F331 PolarHBondContact O-N 2.93Å; Q329-S332 CarbonylContact O-C 3.6Å; Q329-S332 WeakPolarHBondContact O-CA 3.49Å; Q329-S332 PolarHBondContact O-N 2.9Å; Q329-G333 PolarHBondContact O-N 2.7Å
330	A	96.3	Very high	94.4	Very high	5 Å²	5	38.8 Å²	38.8	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-39.7	176.5	0	0	0	0	0	111.8	A274 A326 I327 S332 G333 M382 E384 V386	A274-A330 HydrophobicContact CB-CB 4.22Å; A326-A330 PolarHBondContact O-N 2.75Å; I327-A330 PolarHBondContact O-N 2.87Å; A330-S332 VanDerWaalsContact C-N 3.25Å; A330-S332 PolarHBondContact O-N 2.75Å; A330-G333 PolarHBondContact O-N 3.35Å; A330-M382 VanDerWaalsContact O-CE 3.31Å; A330-M382 WeakPolarHBondContact O-CE 3.26Å; A330-E384 HydrophobicContact CB-CB 4.3Å; A330-V386 HydrophobicContact CB-CG2 3.71Å
331	F	95.7	Very high	93.8	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-72.6	-13.9	174.6	-69.5	-60.6	0	0	0	115	Y230 A250 R252 M272 A274 I327 A328 Q329 N350 M382	Y230-F331 HydrophobicContact CE1-CE2 4.11Å; A250-F331 WeakPolarHBondContact O-CZ 3.35Å; R252-F331 HydrophobicContact CB-CE2 4.19Å; R252-F331 HydrophobicContact CB-CZ 4.23Å; R252-F331 VanDerWaalsContact CD-CD2 3.47Å; R252-F331 HydrophobicContact CG-CD1 4.36Å; R252-F331 HydrophobicContact CG-CD2 4.09Å; R252-F331 HydrophobicContact CG-CE1 4.1Å; R252-F331 HydrophobicContact CG-CE2 3.77Å; R252-F331 HydrophobicContact CG-CG 4.38Å; R252-F331 HydrophobicContact CG-CZ 3.79Å; R252-F331 VanDerWaalsContact NE-CG 3.31Å; M272-F331 HydrophobicContact CB-CD1 3.83Å; M272-F331 HydrophobicContact CB-CE1 3.82Å; M272-F331 WeakPolarHBondContact O-CE1 3.49Å; A274-F331 HydrophobicContact CB-CE1 4.21Å; A274-F331 HydrophobicContact CB-CZ 4.46Å; I327-F331 HydrophobicContact CG2-CD2 3.77Å; I327-F331 HydrophobicContact CG2-CE2 3.37Å; I327-F331 HydrophobicContact CG2-CZ 4.43Å; I327-F331 WeakPolarHBondContact O-CD2 3.26Å; I327-F331 PolarHBondContact O-N 2.93Å; I327-F331 VanDerWaalsContact O-N 3.13Å; A328-F331 PolarHBondContact O-N 2.81Å; Q329-F331 VanDerWaalsContact C-N 3.28Å; Q329-F331 PolarHBondContact O-N 2.93Å; F331-N350 PolarHBondContact O-ND2 2.77Å; F331-M382 HydrophobicContact CD1-CG 3.73Å; F331-M382 HydrophobicContact CD1-SD 4.1Å; F331-M382 HydrophobicContact CE1-CG 4.22Å
332	S	95	Very high	93.2	Very high	28 Å²	28	54.7 Å²	54.7	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-93	-13.4	172.6	-55.2	0	0	0	0	112.1	A328 Q329 A330 N350	A328-S332 PolarHBondContact O-N 3.46Å; A328-S332 VanDerWaalsContact O-N 3.08Å; A328-S332 PolarHBondContact O-OG 3.47Å; Q329-S332 CarbonylContact O-C 3.6Å; Q329-S332 WeakPolarHBondContact O-CA 3.49Å; Q329-S332 PolarHBondContact O-N 2.9Å; A330-S332 VanDerWaalsContact C-N 3.25Å; A330-S332 PolarHBondContact O-N 2.75Å; S332-N350 PolarHBondContact O-ND2 3.17Å
333	G	95	Very high	92.8	Very high	14 Å²	14	56 Å²	56	14%	0.144	30%	0.297	C	S	.	.	S	Bend	trans	-75	-179.1	176.8	0	0	0	0	0	114.2	Q329 A330 N350 M382	Q329-G333 PolarHBondContact O-N 2.7Å; A330-G333 PolarHBondContact O-N 3.35Å; G333-N350 WeakPolarHBondContact O-CB 3.45Å; G333-N350 PolarHBondContact O-ND2 2.91Å; G333-N350 VanDerWaalsContact O-ND2 3.13Å; G333-M382 WeakPolarHBondContact O-CE 3.31Å
334	P	96.9	Very high	92.5	Very high	36 Å²	36	56.2 Å²	56.2	23%	0.234	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-63	154	178.4	24.1	-33.8	0	0	0	113.3	P347 Y348 H383 E384	P334-P347 HydrophobicContact CB-CB 4.5Å; P334-Y348 CarbonylContact C-O 3.54Å; P334-Y348 WeakPolarHBondContact CA-O 3.48Å; P334-Y348 VanDerWaalsContact CB-O 3.28Å; P334-Y348 WeakPolarHBondContact CB-O 3.48Å; P334-H383 HydrophobicContact CB-CB 4.38Å; P334-H383 HydrophobicContact CG-CB 4.18Å; P334-H383 WeakPolarHBondContact O-CB 3.24Å; P334-H383 PolarHBondContact O-N 2.8Å; P334-E384 HydrophobicContact CG-CG 4.3Å
335	F	96	Very high	92.3	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	153	172.3	-71.3	-79.7	0	0	0	111.5	M272 P347 Y348 N350 F379 M382	M272-F335 HydrophobicContact CG-CE1 4.26Å; M272-F335 HydrophobicContact SD-CE1 4.06Å; M272-F335 HydrophobicContact SD-CZ 3.9Å; F335-P347 CarbonylContact O-C 3.51Å; F335-P347 WeakPolarHBondContact O-CA 3.49Å; F335-Y348 PolarHBondContact N-O 2.91Å; F335-Y348 PolarHBondContact O-N 2.82Å; F335-N350 HydrophobicContact CD2-CB 4.37Å; F335-N350 HydrophobicContact CE2-CB 4.21Å; F335-N350 WeakPolarHBondContact CE2-OD1 3.37Å; F335-F379 HydrophobicContact CB-CB 4.28Å; F335-F379 HydrophobicContact CB-CD1 3.99Å; F335-F379 HydrophobicContact CB-CG 4.37Å; F335-F379 HydrophobicContact CD1-CB 3.64Å; F335-F379 HydrophobicContact CD2-CB 3.73Å; F335-F379 HydrophobicContact CD2-CD1 4.37Å; F335-F379 AromaticContact CD2-CG 3.97Å; F335-F379 HydrophobicContact CD2-CG 3.97Å; F335-F379 HydrophobicContact CE1-CB 3.78Å; F335-F379 WeakPolarHBondContact CE1-O 3.36Å; F335-F379 HydrophobicContact CE2-CB 3.86Å; F335-F379 HydrophobicContact CE2-CG 4.39Å; F335-F379 HydrophobicContact CG-CB 3.61Å; F335-F379 HydrophobicContact CG-CD1 4.19Å; F335-F379 HydrophobicContact CG-CG 4.06Å; F335-F379 HydrophobicContact CZ-CB 3.89Å; F335-M382 HydrophobicContact CD1-CE 3.91Å; F335-M382 HydrophobicContact CD1-SD 3.55Å; F335-M382 VanDerWaalsContact CD1-SD 3.55Å; F335-M382 HydrophobicContact CE1-CE 3.85Å; F335-M382 HydrophobicContact CE1-SD 3.31Å; F335-M382 WeakPolarHBondContact CE1-SD 3.24Å; F335-M382 HydrophobicContact CG-CE 4.29Å; F335-M382 HydrophobicContact CG-SD 4.49Å; F335-M382 HydrophobicContact CZ-CE 4.16Å; F335-M382 HydrophobicContact CZ-SD 4.08Å
336	K	94.3	Very high	92.2	Very high	51 Å²	51	58.7 Å²	58.7	22%	0.222	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.2	168	-154.6	172.2	-179.2	174.5	0	108.3	E239 W345 L381 H383	E239-K336 HydrophobicContact CB-CD 3.97Å; E239-K336 HydrophobicContact CG-CD 4.09Å; K336-W345 HydrophobicContact CB-CE3 4.39Å; K336-W345 HydrophobicContact CD-CB 4.31Å; K336-W345 HydrophobicContact CG-CB 4.07Å; K336-W345 HydrophobicContact CG-CE3 4.01Å; K336-L381 HydrophobicContact CB-CD2 4.2Å; K336-L381 HydrophobicContact CB-CG 4.15Å; K336-L381 HydrophobicContact CD-CD2 4.27Å; K336-L381 PolarHBondContact N-O 3.49Å; K336-H383 HydrophobicContact CB-CB 4.16Å
337	Y	92.3	Very high	92.2	Very high	56 Å²	56	61.1 Å²	61.1	22%	0.22	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.4	-171.7	177.7	-106.7	0	0	0	112.2	E339 W345 L346 K378 F379	Y337-E339 HydrophobicContact CE1-CB 4.36Å; Y337-E339 HydrophobicContact CE1-CG 3.64Å; Y337-W345 WeakPolarHBondContact O-CA 3.23Å; Y337-L346 PolarHBondContact N-O 3.25Å; Y337-L346 PolarHBondContact O-N 2.69Å; Y337-K378 HydrophobicContact CE2-CB 4.31Å; Y337-F379 HydrophobicContact CD2-CD1 4.22Å; Y337-F379 AromaticContact CD2-CE1 3.9Å; Y337-F379 HydrophobicContact CD2-CE1 3.9Å; Y337-F379 HydrophobicContact CE2-CE1 4.47Å; Y337-F379 HydrophobicContact CG-CE1 4.05Å
338	Q	89.6	Confident	92.1	Very high	19 Å²	19	66.2 Å²	66.2	9%	0.089	35%	0.345	C	S	.	.			trans	-138.6	120.1	178.7	-176.4	-165.5	37	0	0	107.5	N340 S341 S343 W345	Q338-N340 WeakPolarHBondContact CG-O 3.34Å; Q338-N340 PolarHBondContact NE2-O 2.78Å; Q338-N340 VanDerWaalsContact NE2-O 3.15Å; Q338-S341 PolarHBondContact NE2-O 2.81Å; Q338-S343 WeakPolarHBondContact CG-O 3.22Å; Q338-S343 WeakPolarHBondContact CG-OG 3.3Å; Q338-S343 PolarHBondContact NE2-O 2.94Å; Q338-W345 HydrophobicContact CB-CD2 3.76Å; Q338-W345 HydrophobicContact CB-CE3 3.89Å; Q338-W345 HydrophobicContact CB-CG 4.21Å; Q338-W345 HydrophobicContact CB-CZ2 4.37Å; Q338-W345 HydrophobicContact CB-CZ3 4.28Å
339	E	86	Confident	92.1	Very high	152 Å²	152	69.2 Å²	69.2	71%	0.71	36%	0.362	S	S	*	.	S	Bend	trans	-63.6	-45.1	-177.1	-81.7	-174.6	155	0	0	112.8	Y337 S343	Y337-E339 HydrophobicContact CE1-CB 4.36Å; Y337-E339 HydrophobicContact CE1-CG 3.64Å; E339-S343 PolarHBondContact N-OG 2.86Å; E339-S343 VanDerWaalsContact N-OG 3.08Å
340	N	86.7	Confident	92	Very high	84 Å²	84	63.5 Å²	63.5	45%	0.449	34%	0.336	S	S	.	.	S	Bend	trans	-144	162.8	178	62.2	54.6	0	0	0	109.6	Q338 R342 S343	Q338-N340 WeakPolarHBondContact CG-O 3.34Å; Q338-N340 PolarHBondContact NE2-O 2.78Å; Q338-N340 VanDerWaalsContact NE2-O 3.15Å; N340-R342 PolarHBondContact O-N 2.8Å; N340-R342 PolarHBondContact OD1-N 2.88Å; N340-S343 PolarHBondContact N-OG 3.43Å; N340-S343 PolarHBondContact O-N 3.05Å; N340-S343 PolarHBondContact O-OG 3.06Å; N340-S343 PolarHBondContact OD1-N 2.88Å
341	S	83.8	Confident	91.7	Very high	109 Å²	109	66.6 Å²	66.6	76%	0.762	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-10.3	-174.7	60.7	0	0	0	0	115.6	Q338	Q338-S341 PolarHBondContact NE2-O 2.81Å
342	R	84.1	Confident	91.3	Very high	235 Å²	235	69.4 Å²	69.4	89%	0.887	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-16	177.7	-61.2	-177.5	178.8	173.9	1.3	113.6	N340	N340-R342 PolarHBondContact O-N 2.8Å; N340-R342 PolarHBondContact OD1-N 2.88Å
343	S	88.2	Confident	90.8	Very high	30 Å²	30	71 Å²	71	21%	0.21	38%	0.381	C	S	.	.	S	Bend	trans	-75.6	157.6	179	60.1	0	0	0	0	111.4	Q338 E339 N340	Q338-S343 WeakPolarHBondContact CG-O 3.22Å; Q338-S343 WeakPolarHBondContact CG-OG 3.3Å; Q338-S343 PolarHBondContact NE2-O 2.94Å; E339-S343 PolarHBondContact N-OG 2.86Å; E339-S343 VanDerWaalsContact N-OG 3.08Å; N340-S343 PolarHBondContact N-OG 3.43Å; N340-S343 PolarHBondContact O-N 3.05Å; N340-S343 PolarHBondContact O-OG 3.06Å; N340-S343 PolarHBondContact OD1-N 2.88Å
344	A	89.6	Confident	90.3	Very high	60 Å²	60	76.8 Å²	76.8	50%	0.496	40%	0.404	S	S	.	.			trans	-73.1	153.3	174	0	0	0	0	0	111	L346	A344-L346 HydrophobicContact CB-CD2 4.44Å; A344-L346 HydrophobicContact CB-CG 4.5Å; A344-L346 PolarHBondContact O-N 2.66Å
345	W	91	Very high	89.8	Confident	35 Å²	35	75.6 Å²	75.6	13%	0.133	40%	0.395	C	S	.	.			trans	-77.5	113	170.2	-71.7	89.3	0	0	0	110.5	V238 E239 K336 Y337 Q338 L381	V238-W345 HydrophobicContact CB-CZ2 4.23Å; V238-W345 HydrophobicContact CG2-CH2 3.96Å; V238-W345 HydrophobicContact CG2-CZ2 3.88Å; V238-W345 PolarHBondContact O-NE1 2.87Å; E239-W345 HydrophobicContact CB-CD2 3.95Å; E239-W345 HydrophobicContact CB-CE3 4.4Å; E239-W345 HydrophobicContact CB-CG 4.09Å; K336-W345 HydrophobicContact CB-CE3 4.39Å; K336-W345 HydrophobicContact CD-CB 4.31Å; K336-W345 HydrophobicContact CG-CB 4.07Å; K336-W345 HydrophobicContact CG-CE3 4.01Å; Y337-W345 WeakPolarHBondContact O-CA 3.23Å; Q338-W345 HydrophobicContact CB-CD2 3.76Å; Q338-W345 HydrophobicContact CB-CE3 3.89Å; Q338-W345 HydrophobicContact CB-CG 4.21Å; Q338-W345 HydrophobicContact CB-CZ2 4.37Å; Q338-W345 HydrophobicContact CB-CZ3 4.28Å; W345-L381 HydrophobicContact CZ3-CD2 4.2Å
346	L	93.5	Very high	89.3	Confident	110 Å²	110	81.3 Å²	81.3	58%	0.576	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	153.3	-176.1	-63	176.8	0	0	0	111.7	Y337 A344	Y337-L346 PolarHBondContact N-O 3.25Å; Y337-L346 PolarHBondContact O-N 2.69Å; A344-L346 HydrophobicContact CB-CD2 4.44Å; A344-L346 HydrophobicContact CB-CG 4.5Å; A344-L346 PolarHBondContact O-N 2.66Å
347	P	95.6	Very high	89.1	Confident	74 Å²	74	79.1 Å²	79.1	48%	0.481	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136.5	171	27	-32.3	0	0	0	110.9	P334 F335 H383	P334-P347 HydrophobicContact CB-CB 4.5Å; F335-P347 CarbonylContact O-C 3.51Å; F335-P347 WeakPolarHBondContact O-CA 3.49Å; P347-H383 HydrophobicContact CB-CB 4.42Å
348	Y	94.9	Very high	88.7	Confident	107 Å²	107	77.6 Å²	77.6	42%	0.42	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.1	174.3	-169.9	-87.3	0	0	0	109.5	P334 F335 N350 F379	P334-Y348 CarbonylContact C-O 3.54Å; P334-Y348 WeakPolarHBondContact CA-O 3.48Å; P334-Y348 VanDerWaalsContact CB-O 3.28Å; P334-Y348 WeakPolarHBondContact CB-O 3.48Å; F335-Y348 PolarHBondContact N-O 2.91Å; F335-Y348 PolarHBondContact O-N 2.82Å; Y348-N350 PolarHBondContact O-N 3.31Å; Y348-F379 HydrophobicContact CD1-CD1 4.41Å; Y348-F379 AromaticContact CD1-CE1 3.54Å; Y348-F379 HydrophobicContact CD1-CE1 3.54Å; Y348-F379 HydrophobicContact CD1-CE2 4.16Å; Y348-F379 AromaticContact CD1-CZ 3.4Å; Y348-F379 HydrophobicContact CD1-CZ 3.4Å; Y348-F379 AromaticContact CE1-CE1 3.98Å; Y348-F379 HydrophobicContact CE1-CE1 3.98Å; Y348-F379 AromaticContact CE1-CE2 3.92Å; Y348-F379 HydrophobicContact CE1-CE2 3.92Å; Y348-F379 AromaticContact CE1-CZ 3.32Å; Y348-F379 HydrophobicContact CE1-CZ 3.32Å; Y348-F379 HydrophobicContact CE2-CZ 4.5Å; Y348-F379 AromaticContact CG-CE1 3.87Å; Y348-F379 HydrophobicContact CG-CE1 3.87Å; Y348-F379 HydrophobicContact CG-CZ 4.07Å; Y348-F379 AromaticContact CZ-CZ 3.91Å
349	P	94.4	Very high	88.4	Confident	96 Å²	96	79.3 Å²	79.3	62%	0.623	43%	0.426	S	S	*	.			trans	-55.9	138.7	-179.2	-25.2	34.3	0	0	0	112.6	P351	P349-P351 VanDerWaalsContact O-CD 3.25Å; P349-P351 WeakPolarHBondContact O-CD 3.43Å
350	N	92.8	Very high	88.1	Confident	27 Å²	27	74.3 Å²	74.3	14%	0.144	41%	0.405	C	S	.	.			trans	-70	119.5	178.1	-168.6	-24.7	0	0	0	110.4	F331 S332 G333 F335 Y348 N352	F331-N350 PolarHBondContact O-ND2 2.77Å; S332-N350 PolarHBondContact O-ND2 3.17Å; G333-N350 WeakPolarHBondContact O-CB 3.45Å; G333-N350 PolarHBondContact O-ND2 2.91Å; G333-N350 VanDerWaalsContact O-ND2 3.13Å; F335-N350 HydrophobicContact CD2-CB 4.37Å; F335-N350 HydrophobicContact CE2-CB 4.21Å; F335-N350 WeakPolarHBondContact CE2-OD1 3.37Å; Y348-N350 PolarHBondContact O-N 3.31Å; N350-N352 VanDerWaalsContact C-N 3.27Å; N350-N352 PolarHBondContact O-N 2.83Å; N350-N352 VanDerWaalsContact OD1-C 3.24Å; N350-N352 PolarHBondContact OD1-N 3.31Å; N350-N352 PolarHBondContact OD1-O 2.83Å
351	P	90.2	Very high	87.5	Confident	70 Å²	70	76.7 Å²	76.7	46%	0.455	42%	0.418	S	S	.	.	S	Bend	trans	-68.7	-23.8	178.8	-20.1	33.6	0	0	0	113.8	P349 F379	P349-P351 VanDerWaalsContact O-CD 3.25Å; P349-P351 WeakPolarHBondContact O-CD 3.43Å; P351-F379 HydrophobicContact CG-CD2 4.18Å; P351-F379 HydrophobicContact CG-CE2 3.98Å
352	N	86.6	Confident	86.8	Confident	60 Å²	60	79.5 Å²	79.5	32%	0.321	42%	0.419	S	S	.	.	S	Bend	trans	-136.3	72.3	-180	-167.5	-4.2	0	0	0	110.6	N350 F355 E370	N350-N352 VanDerWaalsContact C-N 3.27Å; N350-N352 PolarHBondContact O-N 2.83Å; N350-N352 VanDerWaalsContact OD1-C 3.24Å; N350-N352 PolarHBondContact OD1-N 3.31Å; N350-N352 PolarHBondContact OD1-O 2.83Å; N352-F355 WeakPolarHBondContact ND2-CD2 3.37Å; N352-E370 PolarHBondContact ND2-O 2.84Å
353	P	85.5	Confident	86.3	Confident	62 Å²	62	71.1 Å²	71.1	40%	0.403	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	140.3	175.1	29.6	-32.8	0	0	0	109.5
354	H	84.6	Confident	85.4	Confident	135 Å²	135	76 Å²	76	63%	0.625	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	28.5	-175.8	-40.7	95.8	0	0	0	116	Q356	H354-Q356 WeakPolarHBondContact O-CG 3.34Å; H354-Q356 PolarHBondContact O-N 2.84Å
355	F	86.2	Confident	84.4	Confident	12 Å²	12	78.8 Å²	78.8	5%	0.053	43%	0.428	C	S	.	.			trans	-52.7	120.4	172.5	178.6	-111.5	0	0	0	112.9	C254 T270 M272 N352 R371	C254-F355 WeakPolarHBondContact SG-CE1 3.27Å; T270-F355 HydrophobicContact CG2-CE1 3.62Å; T270-F355 HydrophobicContact CG2-CZ 3.63Å; M272-F355 HydrophobicContact CE-CD1 4.34Å; N352-F355 WeakPolarHBondContact ND2-CD2 3.37Å; F355-R371 HydrophobicContact CE2-CB 4.34Å; F355-R371 HydrophobicContact CZ-CB 4.43Å
356	Q	85.5	Confident	83.4	Confident	123 Å²	123	80.2 Å²	80.2	58%	0.575	44%	0.441	S	S	*	.			trans	-117.9	38.4	-177.3	-67.7	-59.8	-26.8	0	0	113.5	H354 G358	H354-Q356 WeakPolarHBondContact O-CG 3.34Å; H354-Q356 PolarHBondContact O-N 2.84Å; Q356-G358 VanDerWaalsContact C-N 3.3Å; Q356-G358 PolarHBondContact O-N 2.86Å
357	C	90	Very high	82.4	Confident	6 Å²	6	80.2 Å²	80.2	4%	0.041	44%	0.441	C	S	.	.			trans	58.7	33.8	176.8	-55	0	0	0	0	115.1	N227 F228 C254 N256	N227-C357 HydrophobicContact CB-CB 4.41Å; F228-C357 VanDerWaalsContact CD1-SG 3.54Å; F228-C357 WeakPolarHBondContact CE1-SG 3.31Å; F228-C357 WeakPolarHBondContact CZ-SG 3.1Å; C254-C357 VanDerWaalsContact CA-SG 3.51Å; C254-C357 HydrophobicContact CB-CB 3.67Å; C254-C357 WeakPolarHBondContact CB-SG 3.49Å; C254-C357 WeakPolarHBondContact SG-CA 3.33Å; C254-C357 WeakPolarHBondContact SG-CB 3.24Å; C254-C357 CovalentContact SG-SG 2.03Å; C254-C357 PolarHBondContact SG-SG 3.47Å; N256-C357 PolarHBondContact ND2-O 2.86Å; N256-C357 WeakPolarHBondContact OD1-CB 3.37Å
358	G	84.2	Confident	81.4	Confident	24 Å²	24	77.7 Å²	77.7	25%	0.247	42%	0.423	C	S	.	.			trans	-62.4	156	175	0	0	0	0	0	112.8	Q356 T369 E370	Q356-G358 VanDerWaalsContact C-N 3.3Å; Q356-G358 PolarHBondContact O-N 2.86Å; G358-T369 WeakPolarHBondContact O-CA 3.3Å; G358-E370 WeakPolarHBondContact O-CB 3.17Å; G358-E370 PolarHBondContact O-N 2.81Å
359	T	82.1	Confident	80.6	Confident	55 Å²	55	72.9 Å²	72.9	34%	0.337	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-114.3	150.6	172.9	50	0	0	0	0	110.3	D361 L368	T359-D361 PolarHBondContact O-N 3.43Å; T359-L368 CarbonylContact C-O 3.45Å; T359-L368 WeakPolarHBondContact CA-O 3.34Å
360	V	79.8	Confident	79.7	Confident	46 Å²	46	73.5 Å²	73.5	28%	0.279	40%	0.4	S	S	.	.			trans	-78	119.3	176.5	-179.4	0	0	0	0	109.5	Q362 V366 N367 L368 E370	V360-Q362 VanDerWaalsContact CG1-O 3.29Å; V360-Q362 WeakPolarHBondContact CG1-O 3.4Å; V360-V366 WeakPolarHBondContact O-CA 3.42Å; V360-N367 PolarHBondContact O-N 2.77Å; V360-L368 PolarHBondContact N-O 2.72Å; V360-E370 HydrophobicContact CG2-CB 4.47Å
361	D	74.3	Confident	79.1	Confident	134 Å²	134	73.7 Å²	73.7	72%	0.717	40%	0.399	S	S	*	.			trans	-82.3	-18.7	-175.7	-65.4	-27.1	0	0	0	114	T359	T359-D361 PolarHBondContact O-N 3.43Å
362	Q	70.7	Confident	78.8	Confident	168 Å²	168	74.3 Å²	74.3	79%	0.785	40%	0.398	S	S	*	.	S	Bend	trans	-143.6	144.2	-172.7	-62.9	-176.5	1.7	0	0	113.5	V360	V360-Q362 VanDerWaalsContact CG1-O 3.29Å; V360-Q362 WeakPolarHBondContact CG1-O 3.4Å
363	G	71.8	Confident	78.7	Confident	60 Å²	60	73 Å²	73	62%	0.619	39%	0.391	S	S	*	.	S	Bend	trans	108.7	-166.7	173.7	0	0	0	0	0	116	Y365 V366	G363-Y365 PolarHBondContact O-N 2.8Å; G363-Y365 VanDerWaalsContact O-N 3.14Å; G363-V366 WeakPolarHBondContact O-CG2 3.37Å; G363-V366 PolarHBondContact O-N 3.09Å
364	L	69.2	Low	78.7	Confident	133 Å²	133	75.4 Å²	75.4	70%	0.696	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.9	-179.5	-138	89.9	0	0	0	113.5	R261	R261-L364 PolarHBondContact NH1-O 2.99Å; R261-L364 VanDerWaalsContact NH1-O 3.15Å
365	Y	69.1	Low	78.9	Confident	118 Å²	118	70.8 Å²	70.8	46%	0.463	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	21	-174.7	-59.5	-72.9	0	0	0	112.4	G363 N367 L368	G363-Y365 PolarHBondContact O-N 2.8Å; G363-Y365 VanDerWaalsContact O-N 3.14Å; Y365-N367 PolarHBondContact O-N 3.02Å; Y365-L368 HydrophobicContact CD1-CD1 3.47Å; Y365-L368 VanDerWaalsContact CD1-CD1 3.47Å; Y365-L368 HydrophobicContact CG-CD1 4.05Å; Y365-L368 VanDerWaalsContact O-CB 3.29Å; Y365-L368 WeakPolarHBondContact O-CB 3.5Å; Y365-L368 PolarHBondContact O-N 2.67Å
366	V	70.3	Confident	79	Confident	65 Å²	65	70.3 Å²	70.3	39%	0.394	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	137.4	176.7	169	0	0	0	0	110.6	V360 G363 L368	V360-V366 WeakPolarHBondContact O-CA 3.42Å; G363-V366 WeakPolarHBondContact O-CG2 3.37Å; G363-V366 PolarHBondContact O-N 3.09Å; V366-L368 PolarHBondContact O-N 2.96Å
367	N	71.6	Confident	79.1	Confident	109 Å²	109	69.3 Å²	69.3	58%	0.583	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-3.2	-175.4	-54.8	-29.6	0	0	0	116	I258 V360 Y365	I258-N367 WeakPolarHBondContact CD1-O 3.49Å; V360-N367 PolarHBondContact O-N 2.77Å; Y365-N367 PolarHBondContact O-N 3.02Å
368	L	75.7	Confident	79	Confident	22 Å²	22	74 Å²	74	12%	0.115	39%	0.39	C	S	.	.	S	Bend	trans	-74.6	150.7	169.2	-70.1	161.4	0	0	0	110.1	I258 G259 T359 V360 Y365 V366	I258-L368 HydrophobicContact CD1-CB 4.49Å; I258-L368 HydrophobicContact CD1-CD2 3.57Å; I258-L368 HydrophobicContact CD1-CG 3.97Å; I258-L368 HydrophobicContact CG1-CD2 3.73Å; I258-L368 HydrophobicContact CG1-CG 4.48Å; G259-L368 WeakPolarHBondContact O-CD2 3.35Å; T359-L368 CarbonylContact C-O 3.45Å; T359-L368 WeakPolarHBondContact CA-O 3.34Å; V360-L368 PolarHBondContact N-O 2.72Å; Y365-L368 HydrophobicContact CD1-CD1 3.47Å; Y365-L368 VanDerWaalsContact CD1-CD1 3.47Å; Y365-L368 HydrophobicContact CG-CD1 4.05Å; Y365-L368 VanDerWaalsContact O-CB 3.29Å; Y365-L368 WeakPolarHBondContact O-CB 3.5Å; Y365-L368 PolarHBondContact O-N 2.67Å; V366-L368 PolarHBondContact O-N 2.96Å
369	T	77.6	Confident	79.4	Confident	6 Å²	6	73.2 Å²	73.2	4%	0.037	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-60.5	141.4	173	40.4	0	0	0	0	111.2	D257 T269 T270 G358 R371	D257-T369 HydrophobicContact CB-CG2 4.25Å; T269-T369 PolarHBondContact OG1-OG1 3.49Å; T270-T369 HydrophobicContact CG2-CG2 4.08Å; G358-T369 WeakPolarHBondContact O-CA 3.3Å; T369-R371 PolarHBondContact O-N 2.83Å
370	E	75.7	Confident	80	Confident	109 Å²	109	70.9 Å²	70.9	51%	0.509	37%	0.365	S	S	.	.	S	Bend	trans	-72.8	53.1	-177.7	-163.2	-168.7	175.4	0	0	112.4	N352 G358 V360	N352-E370 PolarHBondContact ND2-O 2.84Å; G358-E370 WeakPolarHBondContact O-CB 3.17Å; G358-E370 PolarHBondContact O-N 2.81Å; V360-E370 HydrophobicContact CG2-CB 4.47Å
371	R	80.5	Confident	80.8	Confident	31 Å²	31	69 Å²	69	12%	0.117	35%	0.353	C	S	.	.	S	Bend	trans	-134.1	128.5	175.8	-170.6	168.9	179.1	-156	10.1	109.9	T269 F271 F355 T369 L373 A376 F379	T269-R371 VanDerWaalsContact O-CD 3.26Å; T269-R371 WeakPolarHBondContact O-CD 3.08Å; T269-R371 PolarHBondContact O-NH1 2.73Å; F271-R371 PolarHBondContact O-NH1 3.44Å; F355-R371 HydrophobicContact CE2-CB 4.34Å; F355-R371 HydrophobicContact CZ-CB 4.43Å; T369-R371 PolarHBondContact O-N 2.83Å; R371-L373 PolarHBondContact O-N 3.5Å; R371-A376 HydrophobicContact CG-CB 4.35Å; R371-F379 PolarHBondContact NH2-O 3.23Å
372	N	83.8	Confident	81.8	Confident	83 Å²	83	62.8 Å²	62.8	44%	0.444	32%	0.32	S	S	.	.			trans	-59.3	123.9	175.1	176.5	-2.2	0	0	0	110.1	Q374 D375 A376	N372-Q374 VanDerWaalsContact C-N 3.29Å; N372-Q374 PolarHBondContact O-N 3.11Å; N372-Q374 PolarHBondContact OD1-N 3.36Å; N372-D375 HydrophobicContact CB-CB 4.03Å; N372-D375 WeakPolarHBondContact CB-OD2 3.09Å; N372-D375 PolarHBondContact ND2-OD2 3.01Å; N372-D375 WeakPolarHBondContact O-CB 3.42Å; N372-D375 PolarHBondContact O-N 2.99Å; N372-D375 VanDerWaalsContact O-N 3.12Å; N372-A376 PolarHBondContact O-N 3.18Å
373	L	85	Confident	83.1	Confident	32 Å²	32	58 Å²	58	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-32.5	-175.5	-60.7	179.1	0	0	0	112.9	L263 T269 R371 D375 A376 Q377	L263-L373 HydrophobicContact CB-CB 4.25Å; L263-L373 HydrophobicContact CB-CD1 4.38Å; T269-L373 HydrophobicContact CG2-CD2 3.57Å; R371-L373 PolarHBondContact O-N 3.5Å; L373-D375 VanDerWaalsContact C-N 3.34Å; L373-A376 PolarHBondContact O-N 2.91Å; L373-Q377 PolarHBondContact O-N 2.81Å; L373-Q377 VanDerWaalsContact O-N 3.17Å
374	Q	85.8	Confident	84.2	Confident	112 Å²	112	59.5 Å²	59.5	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-68	-38.3	175.6	-64.7	-173.1	-3.1	0	0	111.5	L263 N372 K378	L263-Q374 HydrophobicContact CD1-CG 4.31Å; N372-Q374 VanDerWaalsContact C-N 3.29Å; N372-Q374 PolarHBondContact O-N 3.11Å; N372-Q374 PolarHBondContact OD1-N 3.36Å; Q374-K378 WeakPolarHBondContact O-CG 3.2Å; Q374-K378 PolarHBondContact O-N 3.25Å
375	D	88.2	Confident	85.5	Confident	39 Å²	39	55.1 Å²	55.1	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-71.3	-39.7	177.3	-66.6	-23.1	0	0	0	110.4	N372 L373 Q377 K378 F379	N372-D375 HydrophobicContact CB-CB 4.03Å; N372-D375 WeakPolarHBondContact CB-OD2 3.09Å; N372-D375 PolarHBondContact ND2-OD2 3.01Å; N372-D375 WeakPolarHBondContact O-CB 3.42Å; N372-D375 PolarHBondContact O-N 2.99Å; N372-D375 VanDerWaalsContact O-N 3.12Å; L373-D375 VanDerWaalsContact C-N 3.34Å; D375-Q377 VanDerWaalsContact C-N 3.28Å; D375-Q377 PolarHBondContact O-N 2.82Å; D375-K378 PolarHBondContact O-N 3.23Å; D375-K378 VanDerWaalsContact O-N 3.16Å; D375-F379 HydrophobicContact CB-CD2 3.79Å; D375-F379 HydrophobicContact CB-CE2 4.14Å; D375-F379 WeakPolarHBondContact O-CB 3.44Å; D375-F379 PolarHBondContact O-N 3.35Å
376	A	87.2	Confident	86.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-37	175.3	0	0	0	0	0	113	L264 T269 R371 N372 L373	L264-A376 HydrophobicContact CD1-CB 3.64Å; T269-A376 WeakPolarHBondContact O-CB 3.26Å; R371-A376 HydrophobicContact CG-CB 4.35Å; N372-A376 PolarHBondContact O-N 3.18Å; L373-A376 PolarHBondContact O-N 2.91Å
377	Q	87.6	Confident	88.1	Confident	102 Å²	102	51.1 Å²	51.1	48%	0.477	25%	0.248	S	C	.	.	H	α-helix	trans	-73.8	-30.6	177.5	-170.1	179	-1.8	0	0	113	L264 L373 D375	L264-Q377 HydrophobicContact CD1-CB 4.42Å; L264-Q377 HydrophobicContact CD2-CB 4.45Å; L373-Q377 PolarHBondContact O-N 2.81Å; L373-Q377 VanDerWaalsContact O-N 3.17Å; D375-Q377 VanDerWaalsContact C-N 3.28Å; D375-Q377 PolarHBondContact O-N 2.82Å
378	K	89.2	Confident	89.2	Confident	106 Å²	106	46.9 Å²	46.9	46%	0.461	23%	0.227	S	C	.	.	H	α-helix	trans	-91.5	-41.9	-175.2	-68.9	177.4	-170.6	175.9	0	113.3	Y337 Q374 D375	Y337-K378 HydrophobicContact CE2-CB 4.31Å; Q374-K378 WeakPolarHBondContact O-CG 3.2Å; Q374-K378 PolarHBondContact O-N 3.25Å; D375-K378 PolarHBondContact O-N 3.23Å; D375-K378 VanDerWaalsContact O-N 3.16Å
379	F	92.5	Very high	90	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.026	24%	0.243	C	C	.	.			trans	-105.4	91.2	-166.6	-60.8	-45.4	0	0	0	111.2	F335 Y337 Y348 P351 R371 D375	F335-F379 HydrophobicContact CB-CB 4.28Å; F335-F379 HydrophobicContact CB-CD1 3.99Å; F335-F379 HydrophobicContact CB-CG 4.37Å; F335-F379 HydrophobicContact CD1-CB 3.64Å; F335-F379 HydrophobicContact CD2-CB 3.73Å; F335-F379 HydrophobicContact CD2-CD1 4.37Å; F335-F379 AromaticContact CD2-CG 3.97Å; F335-F379 HydrophobicContact CD2-CG 3.97Å; F335-F379 HydrophobicContact CE1-CB 3.78Å; F335-F379 WeakPolarHBondContact CE1-O 3.36Å; F335-F379 HydrophobicContact CE2-CB 3.86Å; F335-F379 HydrophobicContact CE2-CG 4.39Å; F335-F379 HydrophobicContact CG-CB 3.61Å; F335-F379 HydrophobicContact CG-CD1 4.19Å; F335-F379 HydrophobicContact CG-CG 4.06Å; F335-F379 HydrophobicContact CZ-CB 3.89Å; Y337-F379 HydrophobicContact CD2-CD1 4.22Å; Y337-F379 AromaticContact CD2-CE1 3.9Å; Y337-F379 HydrophobicContact CD2-CE1 3.9Å; Y337-F379 HydrophobicContact CE2-CE1 4.47Å; Y337-F379 HydrophobicContact CG-CE1 4.05Å; Y348-F379 HydrophobicContact CD1-CD1 4.41Å; Y348-F379 AromaticContact CD1-CE1 3.54Å; Y348-F379 HydrophobicContact CD1-CE1 3.54Å; Y348-F379 HydrophobicContact CD1-CE2 4.16Å; Y348-F379 AromaticContact CD1-CZ 3.4Å; Y348-F379 HydrophobicContact CD1-CZ 3.4Å; Y348-F379 AromaticContact CE1-CE1 3.98Å; Y348-F379 HydrophobicContact CE1-CE1 3.98Å; Y348-F379 AromaticContact CE1-CE2 3.92Å; Y348-F379 HydrophobicContact CE1-CE2 3.92Å; Y348-F379 AromaticContact CE1-CZ 3.32Å; Y348-F379 HydrophobicContact CE1-CZ 3.32Å; Y348-F379 HydrophobicContact CE2-CZ 4.5Å; Y348-F379 AromaticContact CG-CE1 3.87Å; Y348-F379 HydrophobicContact CG-CE1 3.87Å; Y348-F379 HydrophobicContact CG-CZ 4.07Å; Y348-F379 AromaticContact CZ-CZ 3.91Å; P351-F379 HydrophobicContact CG-CD2 4.18Å; P351-F379 HydrophobicContact CG-CE2 3.98Å; R371-F379 PolarHBondContact NH2-O 3.23Å; D375-F379 HydrophobicContact CB-CD2 3.79Å; D375-F379 HydrophobicContact CB-CE2 4.14Å; D375-F379 WeakPolarHBondContact O-CB 3.44Å; D375-F379 PolarHBondContact O-N 3.35Å
380	I	94	Very high	90.6	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	25%	0.251	C	S	.	.			trans	-118.8	-39.7	-174.4	-62.8	161.1	0	0	0	111.5	W213 F271 M272 K273	W213-I380 HydrophobicContact CD2-CD1 3.97Å; W213-I380 VanDerWaalsContact CE2-CD1 3.5Å; W213-I380 HydrophobicContact CG-CD1 3.9Å; W213-I380 HydrophobicContact CZ2-CD1 4.17Å; F271-I380 HydrophobicContact CD1-CG2 3.57Å; F271-I380 HydrophobicContact CE1-CG2 3.52Å; M272-I380 CarbonylContact C-O 3.58Å; M272-I380 WeakPolarHBondContact CA-O 3.16Å; K273-I380 HydrophobicContact CG-CG2 4.38Å; K273-I380 PolarHBondContact N-O 3.13Å
381	L	96	Very high	91.2	Very high	7 Å²	7	51 Å²	51	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.4	-176.8	179.4	63.2	0	0	0	110	E239 K273 K336 W345	E239-L381 HydrophobicContact CB-CD2 3.92Å; E239-L381 HydrophobicContact CG-CD2 4.09Å; K273-L381 HydrophobicContact CG-CD1 4.05Å; K273-L381 WeakPolarHBondContact O-CA 3.44Å; K336-L381 HydrophobicContact CB-CD2 4.2Å; K336-L381 HydrophobicContact CB-CG 4.15Å; K336-L381 HydrophobicContact CD-CD2 4.27Å; K336-L381 PolarHBondContact N-O 3.49Å; W345-L381 HydrophobicContact CZ3-CD2 4.2Å
382	M	97.1	Very high	91.6	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.02	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	144.2	173.2	-53.3	-44.7	-59.8	0	0	110.8	M272 K273 A274 A330 F331 G333 F335	M272-M382 HydrophobicContact CB-SD 4.49Å; M272-M382 HydrophobicContact SD-SD 4.48Å; K273-M382 PolarHBondContact O-N 2.93Å; A274-M382 HydrophobicContact CB-CB 3.96Å; A274-M382 HydrophobicContact CB-CG 3.9Å; A330-M382 VanDerWaalsContact O-CE 3.31Å; A330-M382 WeakPolarHBondContact O-CE 3.26Å; F331-M382 HydrophobicContact CD1-CG 3.73Å; F331-M382 HydrophobicContact CD1-SD 4.1Å; F331-M382 HydrophobicContact CE1-CG 4.22Å; G333-M382 WeakPolarHBondContact O-CE 3.31Å; F335-M382 HydrophobicContact CD1-CE 3.91Å; F335-M382 HydrophobicContact CD1-SD 3.55Å; F335-M382 VanDerWaalsContact CD1-SD 3.55Å; F335-M382 HydrophobicContact CE1-CE 3.85Å; F335-M382 HydrophobicContact CE1-SD 3.31Å; F335-M382 WeakPolarHBondContact CE1-SD 3.24Å; F335-M382 HydrophobicContact CG-CE 4.29Å; F335-M382 HydrophobicContact CG-SD 4.49Å; F335-M382 HydrophobicContact CZ-CE 4.16Å; F335-M382 HydrophobicContact CZ-SD 4.08Å
383	H	96.4	Very high	92	Very high	68 Å²	68	49.2 Å²	49.2	32%	0.315	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-41	171.7	-178.1	83.4	0	0	0	111.2	P334 K336 P347	P334-H383 HydrophobicContact CB-CB 4.38Å; P334-H383 HydrophobicContact CG-CB 4.18Å; P334-H383 WeakPolarHBondContact O-CB 3.24Å; P334-H383 PolarHBondContact O-N 2.8Å; K336-H383 HydrophobicContact CB-CB 4.16Å; P347-H383 HydrophobicContact CB-CB 4.42Å
384	E	96.2	Very high	92.3	Very high	90 Å²	90	48.5 Å²	48.5	42%	0.421	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	140.2	176.7	-66.7	-58.2	147.8	0	0	111.7	A330 P334	A330-E384 HydrophobicContact CB-CB 4.3Å; P334-E384 HydrophobicContact CG-CG 4.3Å
385	V	96.5	Very high	92.7	Very high	41 Å²	41	44 Å²	44	25%	0.248	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.1	177.5	-174.9	0	0	0	0	108.2	R275 N277 Q387	R275-V385 HydrophobicContact CB-CG1 4.04Å; R275-V385 HydrophobicContact CB-CG2 4.29Å; R275-V385 HydrophobicContact CG-CG1 4Å; R275-V385 WeakPolarHBondContact O-CG1 3.41Å; N277-V385 HydrophobicContact CB-CG1 3.69Å; V385-Q387 PolarHBondContact O-N 2.94Å; V385-Q387 VanDerWaalsContact O-N 3.13Å; V385-Q387 PolarHBondContact O-NE2 3.2Å
386	V	97.9	Very high	92.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	114.5	176.5	-176.3	0	0	0	0	108.7	A274 R275 L276 N277 F322 A326 I327 A330	A274-V386 HydrophobicContact CB-CG2 3.85Å; R275-V386 PolarHBondContact O-N 3.48Å; L276-V386 HydrophobicContact CD2-CB 3.98Å; L276-V386 HydrophobicContact CD2-CG1 4.03Å; L276-V386 HydrophobicContact CD2-CG2 4.38Å; N277-V386 WeakPolarHBondContact CB-O 3.46Å; N277-V386 PolarHBondContact N-O 3.43Å; F322-V386 HydrophobicContact CD1-CG1 3.71Å; F322-V386 HydrophobicContact CE1-CG1 4.38Å; F322-V386 HydrophobicContact CG-CG1 4.41Å; A326-V386 HydrophobicContact CB-CG1 4.48Å; I327-V386 HydrophobicContact CB-CG1 4.48Å; I327-V386 HydrophobicContact CG1-CG1 3.59Å; I327-V386 HydrophobicContact CG1-CG2 4.31Å; A330-V386 HydrophobicContact CB-CG2 3.71Å
387	Q	96.1	Very high	93.1	Very high	98 Å²	98	47.6 Å²	47.6	46%	0.458	25%	0.248	S	C	.	.			trans	-84.3	141.9	176.9	-59.8	-56	-35.8	0	0	111	N277 V385	N277-Q387 PolarHBondContact ND2-OE1 2.89Å; V385-Q387 PolarHBondContact O-N 2.94Å; V385-Q387 VanDerWaalsContact O-N 3.13Å; V385-Q387 PolarHBondContact O-NE2 3.2Å
388	P	95	Very high	93.2	Very high	19 Å²	19	47 Å²	47	12%	0.123	25%	0.248	C	C	.	.			trans	-67.5	162.3	170.9	28.6	-33.1	0	0	0	111.2	N277 C320 V321 F322 T390	N277-P388 WeakPolarHBondContact O-CD 3.28Å; C320-P388 HydrophobicContact CB-CB 4.25Å; V321-P388 CarbonylContact O-C 3.55Å; V321-P388 VanDerWaalsContact O-CA 3.22Å; V321-P388 WeakPolarHBondContact O-CA 3.06Å; V321-P388 WeakPolarHBondContact O-CB 3.33Å; F322-P388 HydrophobicContact CD1-CB 4.28Å; F322-P388 HydrophobicContact CE1-CB 4Å; P388-T390 WeakPolarHBondContact CG-O 3.36Å; P388-T390 PolarHBondContact O-N 2.03Å
389	V	92.5	Very high	93.3	Very high	75 Å²	75	48.3 Å²	48.3	46%	0.455	26%	0.261	S	S	.	.	S	Bend	trans	-58.3	-33.4	176.9	177.7	0	0	0	0	111.7	L302 V321 N323	L302-V389 HydrophobicContact CD2-CG2 4.17Å; V321-V389 HydrophobicContact CB-CG2 4.48Å; V321-V389 HydrophobicContact CG1-CG2 4.21Å; V321-V389 WeakPolarHBondContact O-CG2 3.47Å; V321-V389 PolarHBondContact O-N 3.44Å; N323-V389 HydrophobicContact CB-CG2 4.07Å
390	T	89.6	Confident	93.2	Very high	34 Å²	34	48.1 Å²	48.1	21%	0.209	26%	0.26	C	S	.	.	S	Bend	trans	-123.7	141.1	177.2	56.9	0	0	0	0	110.2	P388 V392 Q438	P388-T390 WeakPolarHBondContact CG-O 3.36Å; P388-T390 PolarHBondContact O-N 2.03Å; T390-V392 WeakPolarHBondContact CB-O 3.25Å; T390-V392 PolarHBondContact O-N 3.01Å; T390-V392 PolarHBondContact OG1-O 3.02Å; T390-Q438 HydrophobicContact CG2-CG 3.86Å
391	T	87.4	Confident	93.2	Very high	116 Å²	116	49.7 Å²	49.7	71%	0.712	27%	0.266	S	S	*	.	S	Bend	trans	-65.2	-25.5	179.5	53.1	0	0	0	0	113.2
392	V	89.7	Confident	93.2	Very high	66 Å²	66	49.5 Å²	49.5	40%	0.4	27%	0.265	S	S	.	.	S	Bend	trans	-97.2	136.1	171.7	-174.8	0	0	0	0	108.4	P281 T390	P281-V392 HydrophobicContact CG-CG2 3.69Å; T390-V392 WeakPolarHBondContact CB-O 3.25Å; T390-V392 PolarHBondContact O-N 3.01Å; T390-V392 PolarHBondContact OG1-O 3.02Å
393	P	93	Very high	93.2	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.058	27%	0.27	C	S	.	.			trans	-53.7	142.1	172.8	-24.5	34.1	0	0	0	111.8	S279 Y288 A318 V319 F395	S279-P393 WeakPolarHBondContact O-CD 3.45Å; Y288-P393 HydrophobicContact CE2-CG 4.35Å; A318-P393 HydrophobicContact CB-CB 3.89Å; A318-P393 HydrophobicContact CB-CG 4.08Å; V319-P393 CarbonylContact O-C 3.55Å; V319-P393 WeakPolarHBondContact O-CB 3.39Å; P393-F395 PolarHBondContact O-N 3.35Å
394	S	90.9	Very high	93.2	Very high	17 Å²	17	49.5 Å²	49.5	12%	0.119	27%	0.267	C	S	.	.	S	Bend	trans	-65	-22.8	-177.5	-55.3	0	0	0	0	113.4	V319 V321 S442	V319-S394 PolarHBondContact O-N 3.28Å; V321-S394 WeakPolarHBondContact CG2-OG 3.27Å; S394-S442 WeakPolarHBondContact O-CB 3.19Å; S394-S442 PolarHBondContact O-OG 3.29Å
395	F	93.2	Very high	93.3	Very high	17 Å²	17	45.4 Å²	45.4	8%	0.075	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	144.4	167.7	-175.9	-109	0	0	0	108.6	A318 V319 P393 F402 L422 V432 L444	A318-F395 CarbonylContact C-O 3.55Å; A318-F395 WeakPolarHBondContact CA-O 3.45Å; V319-F395 HydrophobicContact CB-CB 4.36Å; V319-F395 HydrophobicContact CG2-CB 4.33Å; V319-F395 PolarHBondContact N-O 3.2Å; P393-F395 PolarHBondContact O-N 3.35Å; F395-F402 AromaticContact CD1-CE2 3.92Å; F395-F402 HydrophobicContact CD1-CE2 3.92Å; F395-F402 HydrophobicContact CD1-CZ 4.02Å; F395-F402 HydrophobicContact CE1-CE2 4.07Å; F395-F402 AromaticContact CE1-CZ 3.67Å; F395-F402 HydrophobicContact CE1-CZ 3.67Å; F395-L422 HydrophobicContact CD1-CD1 3.52Å; F395-L422 HydrophobicContact CE1-CD1 3.93Å; F395-L422 HydrophobicContact CG-CD1 4.45Å; F395-V432 HydrophobicContact CB-CG1 4.11Å; F395-V432 HydrophobicContact CD1-CG2 3.95Å; F395-V432 HydrophobicContact CD2-CB 4.48Å; F395-V432 HydrophobicContact CD2-CG1 3.55Å; F395-V432 HydrophobicContact CD2-CG2 4.06Å; F395-V432 HydrophobicContact CE1-CG2 3.84Å; F395-V432 HydrophobicContact CE2-CG1 4.07Å; F395-V432 HydrophobicContact CE2-CG2 3.97Å; F395-V432 HydrophobicContact CG-CG1 3.83Å; F395-V432 HydrophobicContact CG-CG2 4.06Å; F395-V432 HydrophobicContact CZ-CG2 3.86Å; F395-L444 HydrophobicContact CE2-CB 4.18Å; F395-L444 HydrophobicContact CZ-CB 4.24Å; F395-L444 HydrophobicContact CZ-CD2 4.33Å
396	M	92.6	Very high	93.3	Very high	74 Å²	74	43.4 Å²	43.4	37%	0.365	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	146.4	177.7	64.2	-174.7	-167.2	0	0	111.2	R280 S317 A318	R280-M396 HydrophobicContact CG-CE 4.48Å; R280-M396 HydrophobicContact CG-SD 4.27Å; S317-M396 CarbonylContact O-C 3.52Å; S317-M396 VanDerWaalsContact O-CA 3.29Å; S317-M396 WeakPolarHBondContact O-CA 3.14Å; A318-M396 HydrophobicContact CB-CB 4.23Å
397	E	91.7	Very high	93.2	Very high	42 Å²	42	43.3 Å²	43.3	20%	0.196	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	129.8	179.4	-169.4	176.8	-153.7	0	0	110.4	A316 S317 S400 F402 K430	A316-E397 WeakPolarHBondContact CA-O 3.29Å; S317-E397 PolarHBondContact N-O 3.48Å; S317-E397 PolarHBondContact O-N 3.11Å; E397-S400 VanDerWaalsContact CD-CB 3.46Å; E397-S400 WeakPolarHBondContact OE2-CB 3.01Å; E397-S400 PolarHBondContact OE2-OG 3.43Å; E397-F402 HydrophobicContact CB-CE1 4.47Å; E397-F402 HydrophobicContact CB-CE2 4.48Å; E397-F402 HydrophobicContact CB-CZ 3.7Å; E397-F402 VanDerWaalsContact OE2-CE1 3.29Å; E397-F402 WeakPolarHBondContact OE2-CE1 3.45Å; E397-F402 WeakPolarHBondContact OE2-CZ 3.14Å; E397-K430 IonicContact OE1-NZ 3.34Å; E397-K430 PolarHBondContact OE1-NZ 3.06Å; E397-K430 WeakPolarHBondContact OE2-CE 3.39Å; E397-K430 IonicContact OE2-NZ 2.74Å; E397-K430 PolarHBondContact OE2-NZ 3.42Å
398	D	90.6	Very high	93.1	Very high	89 Å²	89	39.1 Å²	39.1	48%	0.476	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	150.7	172.3	-63.9	-28.6	0	0	0	109.8	S400	D398-S400 PolarHBondContact O-N 3.26Å
399	N	89.5	Confident	93	Very high	134 Å²	134	40.5 Å²	40.5	72%	0.717	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	23.8	-176	-60.2	-34.9	0	0	0	115.5	A315	A315-N399 WeakPolarHBondContact O-CA 3.32Å; A315-N399 PolarHBondContact O-N 3.07Å
400	S	90.9	Very high	92.9	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.021	21%	0.205	C	C	.	.			trans	-132.5	144.9	-179.3	-168	0	0	0	0	111	A316 S317 E397 D398 F402 Y426	A316-S400 CarbonylContact C-O 3.57Å; S317-S400 PolarHBondContact N-O 3.36Å; S317-S400 PolarHBondContact OG-O 2.83Å; E397-S400 VanDerWaalsContact CD-CB 3.46Å; E397-S400 WeakPolarHBondContact OE2-CB 3.01Å; E397-S400 PolarHBondContact OE2-OG 3.43Å; D398-S400 PolarHBondContact O-N 3.26Å; S400-F402 WeakPolarHBondContact OG-CE1 3.35Å; S400-Y426 PolarHBondContact OG-OH 3.45Å; S400-Y426 VanDerWaalsContact OG-OH 3.09Å
401	R	94.4	Very high	92.8	Very high	38 Å²	38	40.3 Å²	40.3	14%	0.143	22%	0.217	C	C	.	.			trans	-121.4	108.1	178.3	-76.2	-167.9	178.4	-73.5	-9.8	110.3	T309 N310 V311 A315 S317 T424 D425	T309-R401 PolarHBondContact O-NH1 2.86Å; N310-R401 PolarHBondContact O-NH2 3.49Å; V311-R401 VanDerWaalsContact CA-NH2 3.34Å; A315-R401 HydrophobicContact CB-CG 4.19Å; S317-R401 WeakPolarHBondContact OG-CA 3.42Å; R401-T424 VanDerWaalsContact O-CA 3.32Å; R401-T424 WeakPolarHBondContact O-CA 3.38Å; R401-D425 HydrophobicContact CB-CB 4.38Å; R401-D425 VanDerWaalsContact CB-CG 3.48Å; R401-D425 VanDerWaalsContact CB-OD2 3.29Å; R401-D425 WeakPolarHBondContact CB-OD2 3.49Å; R401-D425 WeakPolarHBondContact CD-OD2 3.34Å; R401-D425 PolarHBondContact O-N 3.02Å
402	F	96.6	Very high	92.6	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	142.4	174.3	-54.7	-29.3	0	0	0	110.5	I306 S317 V319 F395 E397 S400 L422 A423 T424 K430	I306-F402 HydrophobicContact CD1-CB 3.92Å; I306-F402 HydrophobicContact CG1-CB 4.3Å; I306-F402 HydrophobicContact CG2-CB 3.56Å; S317-F402 PolarHBondContact OG-N 2.96Å; V319-F402 HydrophobicContact CG2-CD2 4.38Å; F395-F402 AromaticContact CD1-CE2 3.92Å; F395-F402 HydrophobicContact CD1-CE2 3.92Å; F395-F402 HydrophobicContact CD1-CZ 4.02Å; F395-F402 HydrophobicContact CE1-CE2 4.07Å; F395-F402 AromaticContact CE1-CZ 3.67Å; F395-F402 HydrophobicContact CE1-CZ 3.67Å; E397-F402 HydrophobicContact CB-CE1 4.47Å; E397-F402 HydrophobicContact CB-CE2 4.48Å; E397-F402 HydrophobicContact CB-CZ 3.7Å; E397-F402 VanDerWaalsContact OE2-CE1 3.29Å; E397-F402 WeakPolarHBondContact OE2-CE1 3.45Å; E397-F402 WeakPolarHBondContact OE2-CZ 3.14Å; S400-F402 WeakPolarHBondContact OG-CE1 3.35Å; F402-L422 HydrophobicContact CD1-CB 4.47Å; F402-L422 HydrophobicContact CD2-CD1 4.11Å; F402-L422 HydrophobicContact CE2-CD1 3.92Å; F402-L422 HydrophobicContact CZ-CD1 4.21Å; F402-A423 CarbonylContact C-O 3.53Å; F402-A423 WeakPolarHBondContact CA-O 3.46Å; F402-T424 HydrophobicContact CD1-CG2 4.18Å; F402-T424 HydrophobicContact CE1-CG2 4.48Å; F402-K430 HydrophobicContact CE1-CD 4.07Å
403	S	95.7	Very high	92.4	Very high	20 Å²	20	36.8 Å²	36.8	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-52	-176.4	63.4	0	0	0	0	112.7	S293 A423	S293-S403 WeakPolarHBondContact CB-O 3.49Å; S403-A423 PolarHBondContact N-O 3.22Å; S403-A423 PolarHBondContact OG-O 3.44Å
404	H	97.3	Very high	91.9	Very high	52 Å²	52	44.2 Å²	44.2	24%	0.241	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.9	-175.4	-56	74.2	0	0	0	111.3	I306 A423 I459 R460 L462	I306-H404 WeakPolarHBondContact CD1-O 3.35Å; H404-A423 HydrophobicContact CB-CB 4Å; H404-A423 PolarHBondContact O-N 3.06Å; H404-I459 PolarHBondContact CE1-O 2.92Å; H404-I459 PolarHBondContact ND1-O 3.36Å; H404-R460 PolarHBondContact NE2-O 3.38Å; H404-L462 HydrophobicContact CB-CB 3.67Å; H404-L462 HydrophobicContact CB-CD2 4.26Å
405	V	97.4	Very high	91.6	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.8	177.6	52.5	0	0	0	0	110.7	S293 F295 I306 V407 I420 Y421 L422	S293-V405 PolarHBondContact OG-N 3.32Å; F295-V405 HydrophobicContact CB-CG1 4.02Å; F295-V405 HydrophobicContact CB-CG2 4.44Å; I306-V405 HydrophobicContact CD1-CB 3.55Å; I306-V405 HydrophobicContact CD1-CG1 3.95Å; I306-V405 HydrophobicContact CG1-CB 3.92Å; I306-V405 HydrophobicContact CG1-CG1 4.05Å; V405-V407 HydrophobicContact CG2-CG2 3.9Å; V405-I420 HydrophobicContact CG2-CG2 3.64Å; V405-Y421 WeakPolarHBondContact CA-O 3.46Å; V405-L422 HydrophobicContact CB-CD2 4.16Å; V405-L422 HydrophobicContact CG2-CD2 4.1Å
406	A	97.3	Very high	91.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.2	163.8	0	0	0	0	0	109	F295 Y421 L462 I464 L471	F295-A406 HydrophobicContact CE2-CB 4.46Å; A406-Y421 PolarHBondContact N-O 3Å; A406-Y421 PolarHBondContact O-N 3.49Å; A406-L462 HydrophobicContact CB-CD2 4.01Å; A406-L462 HydrophobicContact CB-CG 4.14Å; A406-I464 HydrophobicContact CB-CB 4.13Å; A406-I464 HydrophobicContact CB-CG2 4.03Å; A406-L471 HydrophobicContact CB-CD1 4.01Å
407	V	95.7	Very high	91.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.1	-177.5	-173.6	0	0	0	0	110.4	F295 Y304 V405 I419 I420 H466	F295-V407 HydrophobicContact CB-CG2 4.39Å; F295-V407 HydrophobicContact CD1-CB 3.67Å; F295-V407 HydrophobicContact CD1-CG2 3.83Å; F295-V407 HydrophobicContact CE1-CB 3.77Å; F295-V407 HydrophobicContact CE1-CG2 4.43Å; F295-V407 WeakPolarHBondContact CE1-O 3.46Å; F295-V407 HydrophobicContact CG-CB 4.43Å; F295-V407 HydrophobicContact CG-CG2 4.24Å; F295-V407 WeakPolarHBondContact CZ-O 3.16Å; Y304-V407 HydrophobicContact CD1-CG2 3.88Å; Y304-V407 HydrophobicContact CD2-CB 4.44Å; Y304-V407 HydrophobicContact CD2-CG1 4.46Å; Y304-V407 HydrophobicContact CD2-CG2 3.81Å; Y304-V407 HydrophobicContact CE1-CG1 4.4Å; Y304-V407 HydrophobicContact CE1-CG2 4.29Å; Y304-V407 HydrophobicContact CE2-CB 4.5Å; Y304-V407 HydrophobicContact CE2-CG1 4.05Å; Y304-V407 HydrophobicContact CE2-CG2 4.22Å; Y304-V407 HydrophobicContact CG-CG2 3.66Å; V405-V407 HydrophobicContact CG2-CG2 3.9Å; V407-I419 WeakPolarHBondContact CA-O 3.29Å; V407-I420 HydrophobicContact CG2-CG1 4.33Å; V407-I420 HydrophobicContact CG2-CG2 4.29Å; V407-H466 PolarHBondContact O-NE2 3.18Å
408	D	94.5	Very high	91.1	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.053	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.5	172.8	-157.5	3.5	0	0	0	110.7	V410 I419 Y421 I464 H466 Y503	D408-V410 HydrophobicContact CB-CG2 4.31Å; D408-I419 PolarHBondContact N-O 3.49Å; D408-I419 PolarHBondContact O-N 2.91Å; D408-Y421 HydrophobicContact CB-CE2 4.18Å; D408-I464 HydrophobicContact CB-CD1 3.58Å; D408-H466 IonicContact OD1-CD2 2.77Å; D408-H466 PolarHBondContact OD1-CD2 3.47Å; D408-Y503 WeakPolarHBondContact CB-OH 3.45Å; D408-Y503 VanDerWaalsContact CG-OH 3.3Å; D408-Y503 PolarHBondContact OD2-OH 2.89Å
409	V	92	Very high	91.3	Very high	48 Å²	48	40 Å²	40	29%	0.291	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.2	174.6	-177	0	0	0	0	107.7	L297 L416	L297-V409 HydrophobicContact CD1-CG2 3.97Å; L297-V409 HydrophobicContact CD2-CG2 3.6Å; L297-V409 HydrophobicContact CG-CG2 4.39Å; V409-L416 HydrophobicContact CG1-CB 4.37Å; V409-L416 HydrophobicContact CG1-CD2 4.23Å
410	V	90.8	Very high	91.6	Very high	10 Å²	10	33.6 Å²	33.6	6%	0.061	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.3	-169.8	-172.3	0	0	0	0	110	D408 G412 L416 V417 I419 P502 Y503	D408-V410 HydrophobicContact CB-CG2 4.31Å; V410-G412 PolarHBondContact O-N 3.05Å; V410-L416 CarbonylContact O-C 3.55Å; V410-L416 WeakPolarHBondContact O-CA 3.32Å; V410-V417 PolarHBondContact N-O 2.99Å; V410-V417 PolarHBondContact O-N 3.27Å; V410-I419 HydrophobicContact CB-CG1 4.45Å; V410-I419 HydrophobicContact CG2-CB 4.38Å; V410-I419 HydrophobicContact CG2-CG1 3.73Å; V410-P502 HydrophobicContact CB-CB 4.33Å; V410-P502 HydrophobicContact CG1-CB 4.09Å; V410-Y503 HydrophobicContact CB-CE1 4.37Å; V410-Y503 HydrophobicContact CG1-CD1 3.78Å; V410-Y503 HydrophobicContact CG1-CD2 4.44Å; V410-Y503 HydrophobicContact CG1-CE1 3.93Å; V410-Y503 HydrophobicContact CG1-CG 4.08Å; V410-Y503 HydrophobicContact CG2-CD1 4.16Å; V410-Y503 HydrophobicContact CG2-CD2 4.38Å; V410-Y503 HydrophobicContact CG2-CE1 3.47Å; V410-Y503 VanDerWaalsContact CG2-CE1 3.47Å; V410-Y503 HydrophobicContact CG2-CE2 3.73Å; V410-Y503 WeakPolarHBondContact CG2-OH 3Å
411	Q	86.8	Confident	91.9	Very high	95 Å²	95	33.5 Å²	33.5	44%	0.444	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	103.5	170.1	-177.2	62.6	52.5	0	0	109.9	L416 L516	Q411-L416 HydrophobicContact CB-CD2 4.06Å; Q411-L516 HydrophobicContact CG-CD2 4.13Å
412	G	84.6	Confident	92	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.			trans	-76.1	-176.7	164.8	0	0	0	0	0	111.4	V410 E414 A415	V410-G412 PolarHBondContact O-N 3.05Å; G412-E414 VanDerWaalsContact C-N 3.33Å; G412-E414 PolarHBondContact O-N 3.47Å; G412-A415 WeakPolarHBondContact CA-O 3.45Å; G412-A415 PolarHBondContact N-O 2.96Å
413	R	85.3	Confident	92.1	Very high	108 Å²	108	31.5 Å²	31.5	41%	0.408	16%	0.16	S	C	.	.	S	Bend	trans	-60	-40.9	178.5	-168	-179.8	-176.1	-161.6	6.6	113.4	W525 Q527	R413-W525 HydrophobicContact CB-CE3 4.23Å; R413-W525 HydrophobicContact CB-CZ3 3.9Å; R413-W525 HydrophobicContact CG-CE3 4.31Å; R413-W525 HydrophobicContact CG-CZ3 4.48Å; R413-W525 VanDerWaalsContact CZ-O 3.3Å; R413-W525 PolarHBondContact NE-O 2.96Å; R413-W525 VanDerWaalsContact NE-O 3.08Å; R413-Q527 HydrophobicContact CB-CB 4.25Å
414	E	82.6	Confident	92	Very high	164 Å²	164	30.6 Å²	30.6	77%	0.766	15%	0.153	S	C	*	.	S	Bend	trans	-109.8	-31.7	-169.6	-65	178.6	-179.4	0	0	113.3	G412	G412-E414 VanDerWaalsContact C-N 3.33Å; G412-E414 PolarHBondContact O-N 3.47Å
415	A	83.2	Confident	91.7	Very high	47 Å²	47	31.4 Å²	31.4	39%	0.388	16%	0.16	S	C	.	.	S	Bend	trans	-152	161.9	-174.4	0	0	0	0	0	111.8	G412	G412-A415 WeakPolarHBondContact CA-O 3.45Å; G412-A415 PolarHBondContact N-O 2.96Å
416	L	87.4	Confident	91.3	Very high	82 Å²	82	33.7 Å²	33.7	43%	0.429	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	146.3	165	-67.5	170.2	0	0	0	109.8	V409 V410 Q411 L436	V409-L416 HydrophobicContact CG1-CB 4.37Å; V409-L416 HydrophobicContact CG1-CD2 4.23Å; V410-L416 CarbonylContact O-C 3.55Å; V410-L416 WeakPolarHBondContact O-CA 3.32Å; Q411-L416 HydrophobicContact CB-CD2 4.06Å; L416-L436 HydrophobicContact CB-CD1 4.34Å; L416-L436 WeakPolarHBondContact O-CD1 3.46Å
417	V	88.6	Confident	91.1	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.067	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.2	-177.3	-173.3	0	0	0	0	109.7	V410 I419 R433 P502 I529	V410-V417 PolarHBondContact N-O 2.99Å; V410-V417 PolarHBondContact O-N 3.27Å; V417-I419 HydrophobicContact CG1-CD1 4.33Å; V417-R433 HydrophobicContact CG1-CG 3.31Å; V417-P502 HydrophobicContact CB-CB 4.49Å; V417-P502 HydrophobicContact CB-CG 4.47Å; V417-P502 HydrophobicContact CG1-CG 4.21Å; V417-I529 HydrophobicContact CG2-CD1 3.78Å
418	H	91.6	Very high	91	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.046	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.9	174.2	-61.6	171.3	0	0	0	110.3	L300 Y304 V434	L300-H418 VanDerWaalsContact CD1-NE2 3.27Å; L300-H418 WeakPolarHBondContact CD1-NE2 3.42Å; Y304-H418 PolarHBondContact OH-CE1 2.91Å; Y304-H418 PolarHBondContact OH-ND1 3.12Å; H418-V434 PolarHBondContact O-N 3.36Å
419	I	94.5	Very high	91.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.7	172.6	-58.4	-58.4	0	0	0	109	V407 D408 V410 V417 Y421 K431 V432 R433 L445 P502 Y503	V407-I419 WeakPolarHBondContact CA-O 3.29Å; D408-I419 PolarHBondContact N-O 3.49Å; D408-I419 PolarHBondContact O-N 2.91Å; V410-I419 HydrophobicContact CB-CG1 4.45Å; V410-I419 HydrophobicContact CG2-CB 4.38Å; V410-I419 HydrophobicContact CG2-CG1 3.73Å; V417-I419 HydrophobicContact CG1-CD1 4.33Å; I419-Y421 HydrophobicContact CB-CE2 4.34Å; I419-Y421 HydrophobicContact CG2-CD2 4.29Å; I419-Y421 HydrophobicContact CG2-CE1 4.13Å; I419-Y421 HydrophobicContact CG2-CE2 3.62Å; I419-K431 HydrophobicContact CG2-CD 4.32Å; I419-K431 HydrophobicContact CG2-CG 3.64Å; I419-V432 CarbonylContact C-O 3.6Å; I419-V432 WeakPolarHBondContact CA-O 3.43Å; I419-R433 HydrophobicContact CD1-CB 4.02Å; I419-R433 HydrophobicContact CD1-CG 3.99Å; I419-L445 HydrophobicContact CD1-CD1 4.04Å; I419-P502 HydrophobicContact CD1-CB 4.3Å; I419-P502 HydrophobicContact CD1-CG 3.6Å; I419-P502 HydrophobicContact CG1-CG 4.41Å; I419-Y503 HydrophobicContact CG1-CE2 4.12Å; I419-Y503 HydrophobicContact CG2-CE2 4.38Å
420	I	96	Very high	91.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.1	179.4	-49.7	-177.3	0	0	0	108.3	Y304 V319 V405 V407 L422 V432 V434	Y304-I420 HydrophobicContact CD1-CD1 3.77Å; Y304-I420 HydrophobicContact CD1-CG1 4.37Å; Y304-I420 HydrophobicContact CE1-CD1 3.64Å; Y304-I420 HydrophobicContact CE1-CG1 4.16Å; V319-I420 HydrophobicContact CG1-CD1 4.16Å; V405-I420 HydrophobicContact CG2-CG2 3.64Å; V407-I420 HydrophobicContact CG2-CG1 4.33Å; V407-I420 HydrophobicContact CG2-CG2 4.29Å; I420-L422 HydrophobicContact CG2-CD2 3.6Å; I420-L422 HydrophobicContact CG2-CG 3.84Å; I420-V432 HydrophobicContact CB-CB 4.4Å; I420-V432 PolarHBondContact N-O 2.94Å; I420-V432 PolarHBondContact O-N 2.94Å; I420-V434 HydrophobicContact CD1-CB 4.26Å; I420-V434 HydrophobicContact CD1-CG2 3.38Å; I420-V434 HydrophobicContact CG1-CG2 4.04Å
421	Y	97.7	Very high	91.5	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.2	171.1	-60.3	-84	0	0	0	108.7	V405 A406 D408 I419 I429 K430 K431 I464 L471 L484 Y503	V405-Y421 WeakPolarHBondContact CA-O 3.46Å; A406-Y421 PolarHBondContact N-O 3Å; A406-Y421 PolarHBondContact O-N 3.49Å; D408-Y421 HydrophobicContact CB-CE2 4.18Å; I419-Y421 HydrophobicContact CB-CE2 4.34Å; I419-Y421 HydrophobicContact CG2-CD2 4.29Å; I419-Y421 HydrophobicContact CG2-CE1 4.13Å; I419-Y421 HydrophobicContact CG2-CE2 3.62Å; Y421-I429 HydrophobicContact CD1-CG2 4.37Å; Y421-K430 WeakPolarHBondContact CA-O 3Å; Y421-K431 HydrophobicContact CD1-CB 4.29Å; Y421-K431 HydrophobicContact CD1-CG 4.19Å; Y421-K431 HydrophobicContact CE1-CB 4.19Å; Y421-K431 HydrophobicContact CE1-CD 3.86Å; Y421-K431 HydrophobicContact CE1-CG 3.69Å; Y421-I464 HydrophobicContact CE2-CD1 4.38Å; Y421-L471 HydrophobicContact CD1-CD2 4.1Å; Y421-L471 HydrophobicContact CG-CD2 4.2Å; Y421-L484 HydrophobicContact CD1-CD2 4.27Å; Y421-L484 HydrophobicContact CE1-CD2 3.51Å; Y421-L484 HydrophobicContact CE2-CD1 3.86Å; Y421-L484 HydrophobicContact CE2-CD2 3.96Å; Y421-L484 HydrophobicContact CE2-CG 4.49Å; Y421-L484 WeakPolarHBondContact OH-CD2 3.35Å; Y421-Y503 WeakPolarHBondContact OH-CE2 3.49Å; Y421-Y503 VanDerWaalsContact OH-CZ 3.32Å; Y421-Y503 PolarHBondContact OH-OH 2.7Å
422	L	97.5	Very high	91.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.9	-177.2	-60.6	171.3	0	0	0	109.8	I306 V319 F395 F402 V405 I420 I429 K430 V432	I306-L422 HydrophobicContact CD1-CD2 3.86Å; I306-L422 HydrophobicContact CG1-CD2 4.01Å; V319-L422 HydrophobicContact CG2-CD1 3.81Å; V319-L422 HydrophobicContact CG2-CD2 3.61Å; V319-L422 HydrophobicContact CG2-CG 4.36Å; F395-L422 HydrophobicContact CD1-CD1 3.52Å; F395-L422 HydrophobicContact CE1-CD1 3.93Å; F395-L422 HydrophobicContact CG-CD1 4.45Å; F402-L422 HydrophobicContact CD1-CB 4.47Å; F402-L422 HydrophobicContact CD2-CD1 4.11Å; F402-L422 HydrophobicContact CE2-CD1 3.92Å; F402-L422 HydrophobicContact CZ-CD1 4.21Å; V405-L422 HydrophobicContact CB-CD2 4.16Å; V405-L422 HydrophobicContact CG2-CD2 4.1Å; I420-L422 HydrophobicContact CG2-CD2 3.6Å; I420-L422 HydrophobicContact CG2-CG 3.84Å; L422-I429 CarbonylContact O-C 3.59Å; L422-I429 WeakPolarHBondContact O-CA 3.22Å; L422-K430 HydrophobicContact CB-CB 4.31Å; L422-K430 PolarHBondContact N-O 3.28Å; L422-K430 PolarHBondContact O-N 3.24Å; L422-V432 HydrophobicContact CD1-CG2 3.96Å
423	A	97.1	Very high	92.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	140.9	171.4	0	0	0	0	0	110.6	F402 S403 H404 T428 I459 L462	F402-A423 CarbonylContact C-O 3.53Å; F402-A423 WeakPolarHBondContact CA-O 3.46Å; S403-A423 PolarHBondContact N-O 3.22Å; S403-A423 PolarHBondContact OG-O 3.44Å; H404-A423 HydrophobicContact CB-CB 4Å; H404-A423 PolarHBondContact O-N 3.06Å; A423-T428 CarbonylContact C-O 3.58Å; A423-T428 WeakPolarHBondContact CA-O 3.27Å; A423-I459 HydrophobicContact CB-CB 3.91Å; A423-I459 HydrophobicContact CB-CD1 3.49Å; A423-I459 VanDerWaalsContact CB-CD1 3.49Å; A423-I459 HydrophobicContact CB-CG1 4.29Å; A423-I459 HydrophobicContact CB-CG2 3.85Å; A423-L462 HydrophobicContact CB-CD2 4.18Å
424	T	94.4	Very high	92.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	162.2	173.6	65.3	0	0	0	0	111.6	R401 F402 Y426 G427 T428	R401-T424 VanDerWaalsContact O-CA 3.32Å; R401-T424 WeakPolarHBondContact O-CA 3.38Å; F402-T424 HydrophobicContact CD1-CG2 4.18Å; F402-T424 HydrophobicContact CE1-CG2 4.48Å; T424-Y426 HydrophobicContact CG2-CE1 4.14Å; T424-Y426 HydrophobicContact CG2-CE2 3.99Å; T424-Y426 PolarHBondContact O-N 3.05Å; T424-Y426 WeakPolarHBondContact OG1-CD2 3.26Å; T424-Y426 WeakPolarHBondContact OG1-CE2 3.43Å; T424-G427 PolarHBondContact OG1-N 3.34Å; T424-T428 WeakPolarHBondContact CG2-OG1 3.18Å; T424-T428 PolarHBondContact N-O 3.25Å; T424-T428 PolarHBondContact OG1-N 2.92Å; T424-T428 PolarHBondContact OG1-O 3.37Å; T424-T428 PolarHBondContact OG1-OG1 2.94Å
425	D	90.4	Very high	91.7	Very high	70 Å²	70	16.6 Å²	16.6	37%	0.374	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-5.9	174.7	67.5	-14.6	0	0	0	113.8	R401 P458	R401-D425 HydrophobicContact CB-CB 4.38Å; R401-D425 VanDerWaalsContact CB-CG 3.48Å; R401-D425 VanDerWaalsContact CB-OD2 3.29Å; R401-D425 WeakPolarHBondContact CB-OD2 3.49Å; R401-D425 WeakPolarHBondContact CD-OD2 3.34Å; R401-D425 PolarHBondContact O-N 3.02Å; D425-P458 VanDerWaalsContact O-CA 3.27Å; D425-P458 WeakPolarHBondContact O-CA 3.45Å; D425-P458 WeakPolarHBondContact O-CB 3.07Å
426	Y	90.3	Very high	91	Very high	52 Å²	52	18.9 Å²	18.9	20%	0.204	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	5.5	176.9	50.1	-96.9	0	0	0	114.6	S400 T424 T428 R456 E457	S400-Y426 PolarHBondContact OG-OH 3.45Å; S400-Y426 VanDerWaalsContact OG-OH 3.09Å; T424-Y426 HydrophobicContact CG2-CE1 4.14Å; T424-Y426 HydrophobicContact CG2-CE2 3.99Å; T424-Y426 PolarHBondContact O-N 3.05Å; T424-Y426 WeakPolarHBondContact OG1-CD2 3.26Å; T424-Y426 WeakPolarHBondContact OG1-CE2 3.43Å; Y426-T428 HydrophobicContact CD2-CG2 3.92Å; Y426-T428 HydrophobicContact CE2-CG2 3.84Å; Y426-T428 VanDerWaalsContact CE2-OG1 3.25Å; Y426-T428 WeakPolarHBondContact CE2-OG1 3.41Å; Y426-R456 WeakPolarHBondContact O-CA 3.33Å; Y426-E457 CarbonylContact C-O 3.6Å; Y426-E457 VanDerWaalsContact C-O 3.3Å; Y426-E457 PolarHBondContact O-N 2.95Å
427	G	92.1	Very high	90.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	11%	0.108	C	C	.	.	S	Bend	trans	98.2	27.1	165.8	0	0	0	0	0	115.8	T424 L450 E457	T424-G427 PolarHBondContact OG1-N 3.34Å; G427-L450 PolarHBondContact O-N 3.28Å; G427-E457 WeakPolarHBondContact CA-O 3.09Å; G427-E457 PolarHBondContact N-O 2.94Å
428	T	94.3	Very high	88.7	Confident	9 Å²	9	27.4 Å²	27.4	6%	0.055	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.5	172.3	67.3	0	0	0	0	111.3	A423 T424 Y426 E447 I448 E449 I459	A423-T428 CarbonylContact C-O 3.58Å; A423-T428 WeakPolarHBondContact CA-O 3.27Å; T424-T428 WeakPolarHBondContact CG2-OG1 3.18Å; T424-T428 PolarHBondContact N-O 3.25Å; T424-T428 PolarHBondContact OG1-N 2.92Å; T424-T428 PolarHBondContact OG1-O 3.37Å; T424-T428 PolarHBondContact OG1-OG1 2.94Å; Y426-T428 HydrophobicContact CD2-CG2 3.92Å; Y426-T428 HydrophobicContact CE2-CG2 3.84Å; Y426-T428 VanDerWaalsContact CE2-OG1 3.25Å; Y426-T428 WeakPolarHBondContact CE2-OG1 3.41Å; T428-E447 WeakPolarHBondContact CB-OE1 3.35Å; T428-E447 PolarHBondContact OG1-OE1 3.24Å; T428-I448 CarbonylContact C-O 3.37Å; T428-I448 VanDerWaalsContact CA-O 3.23Å; T428-I448 WeakPolarHBondContact CA-O 3.23Å; T428-E449 HydrophobicContact CG2-CG 4.09Å; T428-I459 WeakPolarHBondContact O-CD1 3.26Å
429	I	96.8	Very high	87.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.7	172.8	-62.6	178.3	0	0	0	108.5	Y421 L422 I448 L450 I459 L462 L471 V473 I482	Y421-I429 HydrophobicContact CD1-CG2 4.37Å; L422-I429 CarbonylContact O-C 3.59Å; L422-I429 WeakPolarHBondContact O-CA 3.22Å; I429-I448 HydrophobicContact CB-CB 4.42Å; I429-I448 PolarHBondContact N-O 3.28Å; I429-I448 PolarHBondContact O-N 3.11Å; I429-L450 HydrophobicContact CD1-CD1 3.82Å; I429-L450 HydrophobicContact CD1-CG 4.49Å; I429-L450 HydrophobicContact CG1-CD1 4.11Å; I429-I459 HydrophobicContact CD1-CD1 4.22Å; I429-I459 HydrophobicContact CG1-CD1 3.61Å; I429-L462 HydrophobicContact CD1-CD1 4.02Å; I429-L471 HydrophobicContact CD1-CD2 4.01Å; I429-L471 HydrophobicContact CG2-CD2 4.2Å; I429-V473 HydrophobicContact CD1-CG1 4.32Å; I429-V473 HydrophobicContact CD1-CG2 3.55Å; I429-I482 HydrophobicContact CD1-CD1 3.92Å
430	K	95.7	Very high	85.5	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.4	176.4	-63.3	-174.5	-169.2	-116.2	0	109.6	E397 F402 Y421 L422 L444 E447	E397-K430 IonicContact OE1-NZ 3.34Å; E397-K430 PolarHBondContact OE1-NZ 3.06Å; E397-K430 WeakPolarHBondContact OE2-CE 3.39Å; E397-K430 IonicContact OE2-NZ 2.74Å; E397-K430 PolarHBondContact OE2-NZ 3.42Å; F402-K430 HydrophobicContact CE1-CD 4.07Å; Y421-K430 WeakPolarHBondContact CA-O 3Å; L422-K430 HydrophobicContact CB-CB 4.31Å; L422-K430 PolarHBondContact N-O 3.28Å; L422-K430 PolarHBondContact O-N 3.24Å; K430-L444 HydrophobicContact CB-CD1 3.7Å; K430-L444 HydrophobicContact CD-CD1 4.39Å; K430-L444 HydrophobicContact CD-CD2 4.41Å; K430-L444 HydrophobicContact CG-CD1 4.22Å; K430-E447 WeakPolarHBondContact CE-OE1 3.47Å; K430-E447 HydrophobicContact CG-CB 4.31Å; K430-E447 HydrophobicContact CG-CG 4.04Å; K430-E447 IonicContact NZ-OE1 3.48Å; K430-E447 PolarHBondContact NZ-OE1 2.8Å; K430-E447 IonicContact NZ-OE2 3.22Å; K430-E447 PolarHBondContact NZ-OE2 2.75Å
431	K	95.8	Very high	84.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.7	175.4	-175.8	-179.9	178.3	178.1	0	109.1	I419 Y421 L445 E446 D501	I419-K431 HydrophobicContact CG2-CD 4.32Å; I419-K431 HydrophobicContact CG2-CG 3.64Å; Y421-K431 HydrophobicContact CD1-CB 4.29Å; Y421-K431 HydrophobicContact CD1-CG 4.19Å; Y421-K431 HydrophobicContact CE1-CB 4.19Å; Y421-K431 HydrophobicContact CE1-CD 3.86Å; Y421-K431 HydrophobicContact CE1-CG 3.69Å; K431-L445 HydrophobicContact CD-CD1 4.36Å; K431-L445 HydrophobicContact CG-CB 4.45Å; K431-L445 HydrophobicContact CG-CD1 4.28Å; K431-L445 WeakPolarHBondContact O-CB 3.45Å; K431-L445 PolarHBondContact O-N 2.78Å; K431-E446 HydrophobicContact CB-CG 3.56Å; K431-E446 HydrophobicContact CD-CG 3.86Å; K431-E446 WeakPolarHBondContact CD-OE1 3.36Å; K431-E446 HydrophobicContact CG-CG 4.31Å; K431-E446 PolarHBondContact N-O 2.92Å; K431-D501 IonicContact NZ-OD1 3.64Å; K431-D501 PolarHBondContact NZ-OD1 3.17Å; K431-D501 IonicContact NZ-OD2 2.9Å; K431-D501 PolarHBondContact NZ-OD2 2.77Å
432	V	94.4	Very high	83.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.8	-174.8	-178.4	0	0	0	0	110	F395 I419 I420 L422 V434 C443 L444	F395-V432 HydrophobicContact CB-CG1 4.11Å; F395-V432 HydrophobicContact CD1-CG2 3.95Å; F395-V432 HydrophobicContact CD2-CB 4.48Å; F395-V432 HydrophobicContact CD2-CG1 3.55Å; F395-V432 HydrophobicContact CD2-CG2 4.06Å; F395-V432 HydrophobicContact CE1-CG2 3.84Å; F395-V432 HydrophobicContact CE2-CG1 4.07Å; F395-V432 HydrophobicContact CE2-CG2 3.97Å; F395-V432 HydrophobicContact CG-CG1 3.83Å; F395-V432 HydrophobicContact CG-CG2 4.06Å; F395-V432 HydrophobicContact CZ-CG2 3.86Å; I419-V432 CarbonylContact C-O 3.6Å; I419-V432 WeakPolarHBondContact CA-O 3.43Å; I420-V432 HydrophobicContact CB-CB 4.4Å; I420-V432 PolarHBondContact N-O 2.94Å; I420-V432 PolarHBondContact O-N 2.94Å; L422-V432 HydrophobicContact CD1-CG2 3.96Å; V432-V434 HydrophobicContact CG1-CG2 4.13Å; V432-C443 CarbonylContact C-O 3.54Å; V432-C443 VanDerWaalsContact CA-O 3.3Å; V432-C443 WeakPolarHBondContact CA-O 3.26Å; V432-L444 HydrophobicContact CG2-CD1 3.87Å
433	R	92.3	Very high	83.4	Confident	16 Å²	16	42.4 Å²	42.4	6%	0.06	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.8	168.3	-168.6	-176.6	72.1	-143.6	0.1	109.3	V417 I419 S442 C443 L445 P502 I529 A531	V417-R433 HydrophobicContact CG1-CG 3.31Å; I419-R433 HydrophobicContact CD1-CB 4.02Å; I419-R433 HydrophobicContact CD1-CG 3.99Å; R433-S442 WeakPolarHBondContact O-CA 3.4Å; R433-C443 HydrophobicContact CB-CB 4.17Å; R433-C443 PolarHBondContact N-O 3.38Å; R433-C443 PolarHBondContact O-N 3.04Å; R433-L445 HydrophobicContact CB-CD1 4.01Å; R433-L445 HydrophobicContact CB-CD2 4.23Å; R433-L445 HydrophobicContact CB-CG 4.06Å; R433-P502 HydrophobicContact CG-CG 4.31Å; R433-I529 PolarHBondContact NH1-O 3.28Å; R433-I529 PolarHBondContact NH2-O 2.95Å; R433-I529 VanDerWaalsContact NH2-O 3.1Å; R433-A531 PolarHBondContact NH1-O 3.18Å; R433-A531 PolarHBondContact NH2-O 2.9Å
434	V	86	Confident	83.1	Confident	13 Å²	13	43.4 Å²	43.4	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.8	172.3	179.1	0	0	0	0	108.9	H418 I420 V432	H418-V434 PolarHBondContact O-N 3.36Å; I420-V434 HydrophobicContact CD1-CB 4.26Å; I420-V434 HydrophobicContact CD1-CG2 3.38Å; I420-V434 HydrophobicContact CG1-CG2 4.04Å; V432-V434 HydrophobicContact CG1-CG2 4.13Å
435	P	70.6	Confident	83	Confident	33 Å²	33	43.8 Å²	43.8	21%	0.214	25%	0.246	C	C	.	.			trans	-73.4	144	178	27.9	-30	0	0	0	111.3	N437 S440	P435-N437 VanDerWaalsContact C-N 3.26Å; P435-N437 PolarHBondContact O-N 3.02Å; P435-S440 WeakPolarHBondContact CB-OG 3.05Å; P435-S440 WeakPolarHBondContact CG-O 3.21Å; P435-S440 WeakPolarHBondContact CG-OG 3.47Å
436	L	68.7	Low	83.1	Confident	95 Å²	95	40.6 Å²	40.6	50%	0.497	23%	0.229	S	C	.	.	S	Bend	trans	-65.6	-31.2	174.5	-76.1	161	0	0	0	112.2	L416	L416-L436 HydrophobicContact CB-CD1 4.34Å; L416-L436 WeakPolarHBondContact O-CD1 3.46Å
437	N	67.3	Low	83.2	Confident	120 Å²	120	39 Å²	39	64%	0.642	22%	0.224	S	C	*	.	S	Bend	trans	-104.6	134.5	-179.4	-71.2	-13.4	0	0	0	110.8	P435 T439	P435-N437 VanDerWaalsContact C-N 3.26Å; P435-N437 PolarHBondContact O-N 3.02Å; N437-T439 PolarHBondContact O-N 3.45Å
438	Q	59	Low	83.4	Confident	152 Å²	152	39.1 Å²	39.1	71%	0.71	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-3.3	-173.7	-61.1	-178.8	3.4	0	0	115.4	T390 S440	T390-Q438 HydrophobicContact CG2-CG 3.86Å; Q438-S440 VanDerWaalsContact C-N 3.31Å; Q438-S440 PolarHBondContact O-N 3.06Å
439	T	57.9	Low	83.3	Confident	136 Å²	136	41.5 Å²	41.5	83%	0.834	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.6	-176.8	53.2	0	0	0	0	113.6	N437	N437-T439 PolarHBondContact O-N 3.45Å
440	S	61.3	Low	83.2	Confident	58 Å²	58	41.7 Å²	41.7	41%	0.406	24%	0.235	S	C	.	.	S	Bend	trans	-117	145.2	-177	44.6	0	0	0	0	111.4	P435 Q438	P435-S440 WeakPolarHBondContact CB-OG 3.05Å; P435-S440 WeakPolarHBondContact CG-O 3.21Å; P435-S440 WeakPolarHBondContact CG-OG 3.47Å; Q438-S440 VanDerWaalsContact C-N 3.31Å; Q438-S440 PolarHBondContact O-N 3.06Å
441	S	73.7	Confident	83	Confident	93 Å²	93	42 Å²	42	65%	0.65	24%	0.237	S	C	*	.			trans	-72.6	148.3	174.8	56.9	0	0	0	0	110.5
442	S	85.7	Confident	82.7	Confident	38 Å²	38	45 Å²	45	27%	0.266	26%	0.257	S	S	.	.			trans	-57.5	151.5	165.4	59.1	0	0	0	0	111.8	S394 R433	S394-S442 WeakPolarHBondContact O-CB 3.19Å; S394-S442 PolarHBondContact O-OG 3.29Å; R433-S442 WeakPolarHBondContact O-CA 3.4Å
443	C	88.3	Confident	81.9	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121.4	-171.6	-170.2	0	0	0	0	112.3	V432 R433 L445 C532	V432-C443 CarbonylContact C-O 3.54Å; V432-C443 VanDerWaalsContact CA-O 3.3Å; V432-C443 WeakPolarHBondContact CA-O 3.26Å; R433-C443 HydrophobicContact CB-CB 4.17Å; R433-C443 PolarHBondContact N-O 3.38Å; R433-C443 PolarHBondContact O-N 3.04Å; C443-L445 PolarHBondContact O-N 2.83Å; C443-C532 WeakPolarHBondContact CA-SG 3.46Å; C443-C532 HydrophobicContact CB-CB 4.35Å; C443-C532 WeakPolarHBondContact CB-SG 3.34Å; C443-C532 WeakPolarHBondContact SG-CA 3.09Å; C443-C532 WeakPolarHBondContact SG-CB 3.17Å; C443-C532 CovalentContact SG-SG 2.02Å; C443-C532 PolarHBondContact SG-SG 3.47Å
444	L	91.2	Very high	81.4	Confident	22 Å²	22	64.3 Å²	64.3	12%	0.115	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	107	171.6	-179.9	55.3	0	0	0	109.1	H35 F395 K430 V432	H35-L444 HydrophobicContact CB-CB 4.26Å; H35-L444 HydrophobicContact CB-CD2 3.93Å; H35-L444 HydrophobicContact CB-CG 3.77Å; H35-L444 VanDerWaalsContact CD2-CD2 3.46Å; H35-L444 WeakPolarHBondContact CD2-CD2 3.46Å; H35-L444 WeakPolarHBondContact ND1-CD2 3.46Å; F395-L444 HydrophobicContact CE2-CB 4.18Å; F395-L444 HydrophobicContact CZ-CB 4.24Å; F395-L444 HydrophobicContact CZ-CD2 4.33Å; K430-L444 HydrophobicContact CB-CD1 3.7Å; K430-L444 HydrophobicContact CD-CD1 4.39Å; K430-L444 HydrophobicContact CD-CD2 4.41Å; K430-L444 HydrophobicContact CG-CD1 4.22Å; V432-L444 HydrophobicContact CG2-CD1 3.87Å
445	L	92	Very high	81.5	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.037	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-42.8	-175	-63.6	178.4	0	0	0	112.3	P36 I419 K431 R433 C443 P533	P36-L445 WeakPolarHBondContact CD-O 3.26Å; P36-L445 WeakPolarHBondContact CG-O 3.09Å; I419-L445 HydrophobicContact CD1-CD1 4.04Å; K431-L445 HydrophobicContact CD-CD1 4.36Å; K431-L445 HydrophobicContact CG-CB 4.45Å; K431-L445 HydrophobicContact CG-CD1 4.28Å; K431-L445 WeakPolarHBondContact O-CB 3.45Å; K431-L445 PolarHBondContact O-N 2.78Å; R433-L445 HydrophobicContact CB-CD1 4.01Å; R433-L445 HydrophobicContact CB-CD2 4.23Å; R433-L445 HydrophobicContact CB-CG 4.06Å; C443-L445 PolarHBondContact O-N 2.83Å; L445-P533 HydrophobicContact CD2-CG 4.42Å
446	E	91.7	Very high	82.2	Confident	4 Å²	4	76 Å²	76	2%	0.019	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	154.7	179.7	54.9	176	-165.7	0	0	110.6	P36 I38 K431 R486	P36-E446 CarbonylContact O-C 3.48Å; P36-E446 VanDerWaalsContact O-CA 3.26Å; P36-E446 WeakPolarHBondContact O-CA 3.13Å; I38-E446 HydrophobicContact CD1-CB 4.32Å; I38-E446 WeakPolarHBondContact CD1-OE2 3.43Å; K431-E446 HydrophobicContact CB-CG 3.56Å; K431-E446 HydrophobicContact CD-CG 3.86Å; K431-E446 WeakPolarHBondContact CD-OE1 3.36Å; K431-E446 HydrophobicContact CG-CG 4.31Å; K431-E446 PolarHBondContact N-O 2.92Å; E446-R486 IonicContact OE1-CZ 2.7Å; E446-R486 IonicContact OE1-NH2 3.55Å; E446-R486 PolarHBondContact OE1-NH2 3.35Å; E446-R486 IonicContact OE2-NH2 2.81Å; E446-R486 PolarHBondContact OE2-NH2 3.2Å
447	E	93.4	Very high	83.2	Confident	19 Å²	19	72.8 Å²	72.8	9%	0.089	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.6	167.3	177.5	162.1	-169.3	0	0	109.5	H35 P36 V37 I38 T428 K430	H35-E447 IonicContact CD2-OE2 3.76Å; H35-E447 IonicContact CE1-OE2 2.79Å; H35-E447 IonicContact NE2-OE2 3.36Å; H35-E447 PolarHBondContact NE2-OE2 3.31Å; P36-E447 PolarHBondContact O-N 2.86Å; V37-E447 CarbonylContact C-O 3.36Å; V37-E447 WeakPolarHBondContact CA-O 3.41Å; V37-E447 HydrophobicContact CG2-CB 4.41Å; I38-E447 PolarHBondContact N-O 3.14Å; T428-E447 WeakPolarHBondContact CB-OE1 3.35Å; T428-E447 PolarHBondContact OG1-OE1 3.24Å; K430-E447 WeakPolarHBondContact CE-OE1 3.47Å; K430-E447 HydrophobicContact CG-CB 4.31Å; K430-E447 HydrophobicContact CG-CG 4.04Å; K430-E447 IonicContact NZ-OE1 3.48Å; K430-E447 PolarHBondContact NZ-OE1 2.8Å; K430-E447 IonicContact NZ-OE2 3.22Å; K430-E447 PolarHBondContact NZ-OE2 2.75Å
448	I	94.5	Very high	84.5	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.2	-175.9	-53.2	172.1	0	0	0	108.9	I43 T428 I429 L450	I43-I448 HydrophobicContact CB-CG2 4.18Å; I43-I448 HydrophobicContact CD1-CG2 4.21Å; I43-I448 HydrophobicContact CG1-CG2 3.8Å; I43-I448 HydrophobicContact CG2-CG2 4.23Å; T428-I448 CarbonylContact C-O 3.37Å; T428-I448 VanDerWaalsContact CA-O 3.23Å; T428-I448 WeakPolarHBondContact CA-O 3.23Å; I429-I448 HydrophobicContact CB-CB 4.42Å; I429-I448 PolarHBondContact N-O 3.28Å; I429-I448 PolarHBondContact O-N 3.11Å; I448-L450 HydrophobicContact CG2-CD2 4.04Å
449	E	93.5	Very high	86.2	Confident	59 Å²	59	62.3 Å²	62.3	28%	0.276	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.6	173.4	-62.5	-173.3	146.9	0	0	110.7	V37 I38 Y40 T428 F451	V37-E449 HydrophobicContact CG1-CG 4.03Å; I38-E449 PolarHBondContact O-N 2.85Å; Y40-E449 WeakPolarHBondContact CA-O 3.4Å; T428-E449 HydrophobicContact CG2-CG 4.09Å; E449-F451 VanDerWaalsContact C-N 3.34Å
450	L	93.7	Very high	87.9	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.021	29%	0.288	C	S	.	.			trans	-86.8	-6	-179.3	-59.9	-178.6	0	0	0	113.8	Y40 G427 I429 I448 I459 V473 L475 I482	Y40-L450 WeakPolarHBondContact CD2-O 3.17Å; Y40-L450 WeakPolarHBondContact CE2-O 3.32Å; G427-L450 PolarHBondContact O-N 3.28Å; I429-L450 HydrophobicContact CD1-CD1 3.82Å; I429-L450 HydrophobicContact CD1-CG 4.49Å; I429-L450 HydrophobicContact CG1-CD1 4.11Å; I448-L450 HydrophobicContact CG2-CD2 4.04Å; L450-I459 HydrophobicContact CD1-CD1 4.02Å; L450-I459 HydrophobicContact CD1-CG1 4.3Å; L450-V473 HydrophobicContact CD1-CG1 3.87Å; L450-L475 HydrophobicContact CD1-CD2 4.39Å; L450-I482 HydrophobicContact CD2-CD1 3.74Å
451	F	91.8	Very high	89.6	Confident	11 Å²	11	58.6 Å²	58.6	5%	0.048	27%	0.273	C	S	.	.	S	Bend	trans	-130.7	149.4	-175.9	-61.4	-77.8	0	0	0	111	Y40 E449 R455 E457 L475	Y40-F451 WeakPolarHBondContact CB-O 3.47Å; E449-F451 VanDerWaalsContact C-N 3.34Å; F451-R455 HydrophobicContact CB-CB 4.16Å; F451-R455 HydrophobicContact CB-CG 4.31Å; F451-R455 VanDerWaalsContact CB-O 3.25Å; F451-R455 WeakPolarHBondContact CB-O 3.47Å; F451-R455 HydrophobicContact CD1-CG 4.24Å; F451-R455 HydrophobicContact CG-CG 4.47Å; F451-E457 HydrophobicContact CE1-CB 4.12Å; F451-E457 HydrophobicContact CE1-CG 4.32Å; F451-E457 HydrophobicContact CE2-CB 3.85Å; F451-E457 HydrophobicContact CZ-CB 3.62Å; F451-E457 HydrophobicContact CZ-CG 4.31Å; F451-L475 HydrophobicContact CE1-CD1 4.27Å; F451-L475 HydrophobicContact CE2-CD2 4.26Å; F451-L475 HydrophobicContact CZ-CD1 3.84Å; F451-L475 HydrophobicContact CZ-CD2 3.87Å; F451-L475 HydrophobicContact CZ-CG 4.31Å
452	P	89.6	Confident	90.7	Very high	63 Å²	63	55 Å²	55	41%	0.409	25%	0.246	S	C	.	.			trans	-56.8	153.5	171.2	-21.6	31	0	0	0	112.1	Y40 R454 R455	Y40-P452 HydrophobicContact CD1-CB 4.41Å; Y40-P452 HydrophobicContact CD1-CG 3.77Å; Y40-P452 HydrophobicContact CE1-CG 3.87Å; Y40-P452 HydrophobicContact CG-CG 4.35Å; P452-R454 PolarHBondContact O-N 2.97Å; P452-R455 PolarHBondContact O-N 2.91Å
453	E	77.5	Confident	91.1	Very high	170 Å²	170	55.6 Å²	55.6	79%	0.794	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.4	134.7	175.3	-69.1	175.8	-160.5	0	0	111.5	R455	E453-R455 VanDerWaalsContact C-N 3.35Å; E453-R455 PolarHBondContact O-N 3.37Å
454	R	81.2	Confident	91.5	Very high	250 Å²	250	56.2 Å²	56.2	94%	0.943	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	-16.1	-175.5	-48.4	175	-178.7	-171.6	-0.9	116.9	P452	P452-R454 PolarHBondContact O-N 2.97Å
455	R	88.6	Confident	91.6	Very high	97 Å²	97	56.5 Å²	56.5	37%	0.366	25%	0.249	S	C	.	.			trans	-91.1	117.5	172.6	-173.9	173.7	-177.3	175.9	-1.8	109	F451 P452 E453 E457 E477	F451-R455 HydrophobicContact CB-CB 4.16Å; F451-R455 HydrophobicContact CB-CG 4.31Å; F451-R455 VanDerWaalsContact CB-O 3.25Å; F451-R455 WeakPolarHBondContact CB-O 3.47Å; F451-R455 HydrophobicContact CD1-CG 4.24Å; F451-R455 HydrophobicContact CG-CG 4.47Å; P452-R455 PolarHBondContact O-N 2.91Å; E453-R455 VanDerWaalsContact C-N 3.35Å; E453-R455 PolarHBondContact O-N 3.37Å; R455-E457 HydrophobicContact CG-CG 4.4Å; R455-E457 IonicContact CZ-OE1 3.89Å; R455-E457 IonicContact NE-OE1 3.08Å; R455-E457 PolarHBondContact NE-OE1 3.01Å; R455-E457 IonicContact NH2-OE1 3.79Å; R455-E457 PolarHBondContact NH2-OE1 3.36Å; R455-E457 IonicContact NH2-OE2 3.86Å; R455-E477 IonicContact CZ-OE2 2.72Å; R455-E477 IonicContact NH1-OE2 3.87Å; R455-E477 IonicContact NH2-OE1 2.84Å; R455-E477 IonicContact NH2-OE2 3.38Å; R455-E477 PolarHBondContact NH2-OE2 2.76Å
456	R	86.6	Confident	91.5	Very high	195 Å²	195	60.1 Å²	60.1	74%	0.736	27%	0.266	S	S	*	.			trans	-121.3	122.3	175.9	-68.9	-179	176.6	-166.3	0.5	108.8	Y426	Y426-R456 WeakPolarHBondContact O-CA 3.33Å
457	E	89.8	Confident	91.3	Very high	27 Å²	27	65 Å²	65	13%	0.126	30%	0.3	C	S	.	.			trans	-137.6	142.9	177.6	-66.3	-173.8	-172.2	0	0	110.5	Y426 G427 F451 R455	Y426-E457 CarbonylContact C-O 3.6Å; Y426-E457 VanDerWaalsContact C-O 3.3Å; Y426-E457 PolarHBondContact O-N 2.95Å; G427-E457 WeakPolarHBondContact CA-O 3.09Å; G427-E457 PolarHBondContact N-O 2.94Å; F451-E457 HydrophobicContact CE1-CB 4.12Å; F451-E457 HydrophobicContact CE1-CG 4.32Å; F451-E457 HydrophobicContact CE2-CB 3.85Å; F451-E457 HydrophobicContact CZ-CB 3.62Å; F451-E457 HydrophobicContact CZ-CG 4.31Å; R455-E457 HydrophobicContact CG-CG 4.4Å; R455-E457 IonicContact CZ-OE1 3.89Å; R455-E457 IonicContact NE-OE1 3.08Å; R455-E457 PolarHBondContact NE-OE1 3.01Å; R455-E457 IonicContact NH2-OE1 3.79Å; R455-E457 PolarHBondContact NH2-OE1 3.36Å; R455-E457 IonicContact NH2-OE2 3.86Å
458	P	93	Very high	91.1	Very high	50 Å²	50	67.6 Å²	67.6	33%	0.325	31%	0.312	S	S	.	.			trans	-70.7	137.4	178.2	28.9	-34.6	0	0	0	111.1	D425	D425-P458 VanDerWaalsContact O-CA 3.27Å; D425-P458 WeakPolarHBondContact O-CA 3.45Å; D425-P458 WeakPolarHBondContact O-CB 3.07Å
459	I	95.3	Very high	90.9	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.015	32%	0.317	C	S	.	.			trans	-68.8	132	166.7	-68.4	164.4	0	0	0	108.4	H404 A423 T428 I429 L450 S461 V473 L475	H404-I459 PolarHBondContact CE1-O 2.92Å; H404-I459 PolarHBondContact ND1-O 3.36Å; A423-I459 HydrophobicContact CB-CB 3.91Å; A423-I459 HydrophobicContact CB-CD1 3.49Å; A423-I459 VanDerWaalsContact CB-CD1 3.49Å; A423-I459 HydrophobicContact CB-CG1 4.29Å; A423-I459 HydrophobicContact CB-CG2 3.85Å; T428-I459 WeakPolarHBondContact O-CD1 3.26Å; I429-I459 HydrophobicContact CD1-CD1 4.22Å; I429-I459 HydrophobicContact CG1-CD1 3.61Å; L450-I459 HydrophobicContact CD1-CD1 4.02Å; L450-I459 HydrophobicContact CD1-CG1 4.3Å; I459-S461 WeakPolarHBondContact CG2-O 3.02Å; I459-V473 HydrophobicContact CB-CG1 4.5Å; I459-V473 HydrophobicContact CD1-CG1 4.42Å; I459-V473 HydrophobicContact CG1-CG1 4.11Å; I459-V473 HydrophobicContact CG2-CG1 3.68Å; I459-L475 HydrophobicContact CB-CD2 4.48Å; I459-L475 HydrophobicContact CG1-CD2 3.9Å
460	R	94.3	Very high	91	Very high	105 Å²	105	65.8 Å²	65.8	40%	0.396	31%	0.306	S	S	.	.			trans	-99.6	-25.3	-174.1	-62.8	-68.2	-177.6	-179.7	0.5	113.7	D57 H404 G474	D57-R460 IonicContact OD1-NE 3.03Å; H404-R460 PolarHBondContact NE2-O 3.38Å; R460-G474 WeakPolarHBondContact CB-O 3.5Å; R460-G474 PolarHBondContact N-O 2.82Å
461	S	95.7	Very high	91.1	Very high	11 Å²	11	65.6 Å²	65.6	8%	0.077	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	144.4	177.6	179.7	0	0	0	0	109.6	S59 I459 V473 G474	S59-S461 WeakPolarHBondContact O-CB 3.32Å; I459-S461 WeakPolarHBondContact CG2-O 3.02Å; S461-V473 WeakPolarHBondContact O-CA 3.4Å; S461-G474 PolarHBondContact N-O 2.9Å; S461-G474 PolarHBondContact O-N 2.74Å
462	L	96.7	Very high	91.4	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.084	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	112.6	176.4	-169.5	68.6	0	0	0	108.1	H404 A406 A423 I429 L471 V473	H404-L462 HydrophobicContact CB-CB 3.67Å; H404-L462 HydrophobicContact CB-CD2 4.26Å; A406-L462 HydrophobicContact CB-CD2 4.01Å; A406-L462 HydrophobicContact CB-CG 4.14Å; A423-L462 HydrophobicContact CB-CD2 4.18Å; I429-L462 HydrophobicContact CD1-CD1 4.02Å; L462-L471 HydrophobicContact CD1-CD1 3.68Å; L462-L471 HydrophobicContact CD1-CD2 3.82Å; L462-L471 HydrophobicContact CD1-CG 3.72Å; L462-L471 HydrophobicContact CG-CD1 3.9Å; L462-L471 HydrophobicContact CG-CG 4.49Å; L462-V473 HydrophobicContact CD1-CG2 3.93Å
463	Q	95.1	Very high	91.7	Very high	52 Å²	52	62.1 Å²	62.1	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.3	179.4	-70.9	-168.5	-4	0	0	111.2	L61 F63 L471 F472	L61-Q463 HydrophobicContact CB-CG 4.39Å; L61-Q463 PolarHBondContact O-NE2 2.81Å; L61-Q463 PolarHBondContact O-OE1 3.42Å; F63-Q463 HydrophobicContact CE2-CB 4.09Å; F63-Q463 HydrophobicContact CZ-CB 3.99Å; Q463-L471 CarbonylContact O-C 3.47Å; Q463-F472 PolarHBondContact N-O 3.49Å; Q463-F472 PolarHBondContact O-N 3.38Å
464	I	95.5	Very high	92.6	Very high	13 Å²	13	54 Å²	54	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.5	178	-175.9	167.5	0	0	0	109.6	F295 A406 D408 Y421 V470 L471 L484	F295-I464 HydrophobicContact CE2-CG2 3.7Å; F295-I464 HydrophobicContact CZ-CG2 3.8Å; A406-I464 HydrophobicContact CB-CB 4.13Å; A406-I464 HydrophobicContact CB-CG2 4.03Å; D408-I464 HydrophobicContact CB-CD1 3.58Å; Y421-I464 HydrophobicContact CE2-CD1 4.38Å; I464-V470 WeakPolarHBondContact CA-O 3.37Å; I464-L471 HydrophobicContact CB-CD1 4.27Å; I464-L484 HydrophobicContact CD1-CD1 3.7Å; I464-L484 HydrophobicContact CG1-CD1 4.18Å
465	L	93.6	Very high	93.3	Very high	28 Å²	28	42.1 Å²	42.1	15%	0.147	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	96	167.6	-178.3	64.5	0	0	0	108.1	F63 L83 S467 Q468 S469 V470 F472	F63-L465 HydrophobicContact CE1-CB 4.26Å; F63-L465 HydrophobicContact CZ-CB 4.14Å; L83-L465 HydrophobicContact CD1-CD2 4.16Å; L83-L465 HydrophobicContact CD2-CD2 4.43Å; L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 2.94Å; L465-Q468 HydrophobicContact CD2-CB 4.16Å; L465-Q468 HydrophobicContact CD2-CG 3.98Å; L465-Q468 HydrophobicContact CG-CB 4.49Å; L465-Q468 PolarHBondContact O-N 2.87Å; L465-S469 PolarHBondContact O-N 2.79Å; L465-S469 VanDerWaalsContact O-N 3.08Å; L465-V470 PolarHBondContact N-O 2.77Å; L465-V470 PolarHBondContact O-N 3.35Å; L465-F472 HydrophobicContact CB-CE2 4.11Å; L465-F472 HydrophobicContact CD2-CE2 4.41Å
466	H	91.3	Very high	93.6	Very high	84 Å²	84	43.2 Å²	43.2	39%	0.389	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-57.2	-40.5	-174.7	-57.7	84	0	0	0	112.7	F295 V407 D408 Q468 S469	F295-H466 AromaticContact CZ-CE1 3.8Å; F295-H466 AromaticContact CZ-NE2 3.88Å; V407-H466 PolarHBondContact O-NE2 3.18Å; D408-H466 IonicContact OD1-CD2 2.77Å; D408-H466 PolarHBondContact OD1-CD2 3.47Å; H466-Q468 PolarHBondContact O-N 2.8Å; H466-S469 PolarHBondContact O-N 2.89Å; H466-S469 VanDerWaalsContact O-N 3.09Å
467	S	87.4	Confident	94	Very high	105 Å²	105	37.5 Å²	37.5	73%	0.734	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-60.9	-27.9	-176.3	61.9	0	0	0	0	114.6	L465	L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 2.94Å
468	Q	87.6	Confident	94.2	Very high	75 Å²	75	36.3 Å²	36.3	35%	0.35	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-110.1	-2.3	176.9	-62.6	-173.7	4.1	0	0	112.8	L465 H466 V470	L465-Q468 HydrophobicContact CD2-CB 4.16Å; L465-Q468 HydrophobicContact CD2-CG 3.98Å; L465-Q468 HydrophobicContact CG-CB 4.49Å; L465-Q468 PolarHBondContact O-N 2.87Å; H466-Q468 PolarHBondContact O-N 2.8Å; Q468-V470 HydrophobicContact CB-CG2 3.89Å; Q468-V470 WeakPolarHBondContact O-CG2 3.39Å
469	S	91.7	Very high	94.4	Very high	15 Å²	15	34 Å²	34	11%	0.105	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	56.3	-171.8	-48.9	0	0	0	0	112	L465 H466 L484 K485	L465-S469 PolarHBondContact O-N 2.79Å; L465-S469 VanDerWaalsContact O-N 3.08Å; H466-S469 PolarHBondContact O-N 2.89Å; H466-S469 VanDerWaalsContact O-N 3.09Å; S469-L484 WeakPolarHBondContact O-CB 3.43Å; S469-L484 VanDerWaalsContact O-CG 3.26Å; S469-L484 WeakPolarHBondContact O-CG 3.04Å; S469-L484 PolarHBondContact O-N 3.39Å; S469-K485 WeakPolarHBondContact OG-CE 3.45Å
470	V	94.7	Very high	94.4	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.5	-178	176.6	0	0	0	0	110.6	I464 L465 Q468 F472 K481	I464-V470 WeakPolarHBondContact CA-O 3.37Å; L465-V470 PolarHBondContact N-O 2.77Å; L465-V470 PolarHBondContact O-N 3.35Å; Q468-V470 HydrophobicContact CB-CG2 3.89Å; Q468-V470 WeakPolarHBondContact O-CG2 3.39Å; V470-F472 HydrophobicContact CB-CE2 4.15Å; V470-F472 HydrophobicContact CG1-CD2 4.03Å; V470-F472 HydrophobicContact CG1-CE1 4.42Å; V470-F472 HydrophobicContact CG1-CE2 3.56Å; V470-F472 HydrophobicContact CG1-CZ 3.79Å; V470-K481 HydrophobicContact CG1-CD 4.05Å; V470-K481 HydrophobicContact CG1-CG 3.43Å; V470-K481 VanDerWaalsContact CG1-CG 3.43Å
471	L	96.4	Very high	94.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.8	173.5	-168.8	68.8	0	0	0	110.1	A406 Y421 I429 L462 Q463 I464 V473 I482 L484	A406-L471 HydrophobicContact CB-CD1 4.01Å; Y421-L471 HydrophobicContact CD1-CD2 4.1Å; Y421-L471 HydrophobicContact CG-CD2 4.2Å; I429-L471 HydrophobicContact CD1-CD2 4.01Å; I429-L471 HydrophobicContact CG2-CD2 4.2Å; L462-L471 HydrophobicContact CD1-CD1 3.68Å; L462-L471 HydrophobicContact CD1-CD2 3.82Å; L462-L471 HydrophobicContact CD1-CG 3.72Å; L462-L471 HydrophobicContact CG-CD1 3.9Å; L462-L471 HydrophobicContact CG-CG 4.49Å; Q463-L471 CarbonylContact O-C 3.47Å; I464-L471 HydrophobicContact CB-CD1 4.27Å; L471-V473 HydrophobicContact CG-CG2 4.4Å; L471-I482 HydrophobicContact CB-CB 4.33Å; L471-I482 PolarHBondContact N-O 3.19Å; L471-I482 PolarHBondContact O-N 2.02Å; L471-L484 HydrophobicContact CB-CD2 3.71Å; L471-L484 HydrophobicContact CB-CG 4.47Å; L471-L484 HydrophobicContact CD2-CD2 4.39Å
472	F	97.1	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.7	173.5	-65.3	-90.7	0	0	0	109.5	L61 F63 L70 L83 L86 Q463 L465 V470 V480 K481	L61-F472 HydrophobicContact CD1-CB 4.12Å; F63-F472 AromaticContact CE1-CD2 3.53Å; F63-F472 HydrophobicContact CE1-CD2 3.53Å; F63-F472 AromaticContact CE1-CE2 3.57Å; F63-F472 HydrophobicContact CE1-CE2 3.57Å; F63-F472 HydrophobicContact CE1-CG 4.28Å; F63-F472 HydrophobicContact CE1-CZ 4.34Å; F63-F472 AromaticContact CZ-CD2 3.7Å; F63-F472 HydrophobicContact CZ-CD2 3.7Å; F63-F472 HydrophobicContact CZ-CE2 4.11Å; F63-F472 HydrophobicContact CZ-CG 4.5Å; L70-F472 HydrophobicContact CD2-CD1 3.69Å; L70-F472 HydrophobicContact CD2-CE1 3.97Å; L70-F472 HydrophobicContact CD2-CG 4.42Å; L83-F472 HydrophobicContact CD2-CE1 4.29Å; L83-F472 HydrophobicContact CD2-CE2 4.2Å; L83-F472 HydrophobicContact CD2-CZ 3.63Å; L86-F472 HydrophobicContact CD2-CD1 4.19Å; L86-F472 HydrophobicContact CD2-CE1 3.78Å; Q463-F472 PolarHBondContact N-O 3.49Å; Q463-F472 PolarHBondContact O-N 3.38Å; L465-F472 HydrophobicContact CB-CE2 4.11Å; L465-F472 HydrophobicContact CD2-CE2 4.41Å; V470-F472 HydrophobicContact CB-CE2 4.15Å; V470-F472 HydrophobicContact CG1-CD2 4.03Å; V470-F472 HydrophobicContact CG1-CE1 4.42Å; V470-F472 HydrophobicContact CG1-CE2 3.56Å; V470-F472 HydrophobicContact CG1-CZ 3.79Å; F472-V480 CarbonylContact C-O 3.47Å; F472-V480 WeakPolarHBondContact CA-O 3.22Å; F472-K481 HydrophobicContact CD1-CB 4.09Å; F472-K481 HydrophobicContact CD1-CG 4.37Å; F472-K481 HydrophobicContact CE1-CB 3.94Å; F472-K481 HydrophobicContact CE1-CD 4.01Å; F472-K481 HydrophobicContact CE1-CG 3.88Å; F472-K481 HydrophobicContact CZ-CD 4.23Å; F472-K481 HydrophobicContact CZ-CG 4.25Å
473	V	97.3	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.7	-175.2	-168.2	0	0	0	0	108.9	I429 L450 I459 S461 L462 L471 L475 V479 V480 I482	I429-V473 HydrophobicContact CD1-CG1 4.32Å; I429-V473 HydrophobicContact CD1-CG2 3.55Å; L450-V473 HydrophobicContact CD1-CG1 3.87Å; I459-V473 HydrophobicContact CB-CG1 4.5Å; I459-V473 HydrophobicContact CD1-CG1 4.42Å; I459-V473 HydrophobicContact CG1-CG1 4.11Å; I459-V473 HydrophobicContact CG2-CG1 3.68Å; S461-V473 WeakPolarHBondContact O-CA 3.4Å; L462-V473 HydrophobicContact CD1-CG2 3.93Å; L471-V473 HydrophobicContact CG-CG2 4.4Å; V473-L475 HydrophobicContact CG1-CD2 3.85Å; V473-L475 HydrophobicContact CG1-CG 4.24Å; V473-V479 WeakPolarHBondContact O-CA 3.38Å; V473-V480 HydrophobicContact CB-CB 4.32Å; V473-V480 PolarHBondContact N-O 2.76Å; V473-V480 PolarHBondContact O-N 2.99Å; V473-I482 HydrophobicContact CG2-CD1 3.73Å; V473-I482 HydrophobicContact CG2-CG1 4.25Å
474	G	96.7	Very high	94.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.5	172.8	0	0	0	0	0	110.9	F58 R460 S461	F58-G474 CarbonylContact O-C 3.52Å; F58-G474 WeakPolarHBondContact O-CA 3.09Å; R460-G474 WeakPolarHBondContact CB-O 3.5Å; R460-G474 PolarHBondContact N-O 2.82Å; S461-G474 PolarHBondContact N-O 2.9Å; S461-G474 PolarHBondContact O-N 2.74Å
475	L	95.9	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.			trans	-120.5	-179.6	179.8	-58.3	175.7	0	0	0	110.8	F58 L450 F451 I459 V473 E477 H478 V480	F58-L475 WeakPolarHBondContact CB-O 3.19Å; F58-L475 PolarHBondContact N-O 3.23Å; F58-L475 VanDerWaalsContact N-O 3.11Å; L450-L475 HydrophobicContact CD1-CD2 4.39Å; F451-L475 HydrophobicContact CE1-CD1 4.27Å; F451-L475 HydrophobicContact CE2-CD2 4.26Å; F451-L475 HydrophobicContact CZ-CD1 3.84Å; F451-L475 HydrophobicContact CZ-CD2 3.87Å; F451-L475 HydrophobicContact CZ-CG 4.31Å; I459-L475 HydrophobicContact CB-CD2 4.48Å; I459-L475 HydrophobicContact CG1-CD2 3.9Å; V473-L475 HydrophobicContact CG1-CD2 3.85Å; V473-L475 HydrophobicContact CG1-CG 4.24Å; L475-E477 PolarHBondContact O-N 2.81Å; L475-H478 WeakPolarHBondContact CA-O 3.24Å; L475-H478 WeakPolarHBondContact CB-O 3.47Å; L475-H478 VanDerWaalsContact CD1-CE1 3.45Å; L475-H478 WeakPolarHBondContact CD1-CE1 3.34Å; L475-H478 WeakPolarHBondContact CD1-NE2 3.47Å; L475-H478 PolarHBondContact N-O 2.79Å; L475-V480 HydrophobicContact CD1-CG2 3.68Å
476	R	94.5	Very high	94.3	Very high	120 Å²	120	29.3 Å²	29.3	45%	0.453	15%	0.147	S	C	.	.	S	Bend	trans	-64.5	-38.1	179.7	-173.6	178.4	-177	174.8	2.2	112.8	V56 D57	V56-R476 CarbonylContact C-O 3.57Å; V56-R476 WeakPolarHBondContact CA-O 3.26Å; V56-R476 WeakPolarHBondContact CB-O 3Å; D57-R476 PolarHBondContact N-O 2.94Å
477	E	93.9	Very high	94.4	Very high	76 Å²	76	25.6 Å²	25.6	36%	0.355	13%	0.13	S	C	.	.	S	Bend	trans	-115.7	-8.8	-171	-64.7	179.1	159.7	0	0	114.1	R51 F58 R455 L475	R51-E477 IonicContact NH1-OE2 2.96Å; F58-E477 VanDerWaalsContact CE2-O 3.26Å; F58-E477 WeakPolarHBondContact CE2-O 3.27Å; R455-E477 IonicContact CZ-OE2 2.72Å; R455-E477 IonicContact NH1-OE2 3.87Å; R455-E477 IonicContact NH2-OE1 2.84Å; R455-E477 IonicContact NH2-OE2 3.38Å; R455-E477 PolarHBondContact NH2-OE2 2.76Å; L475-E477 PolarHBondContact O-N 2.81Å
478	H	95	Very high	94.6	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	167.5	-171.7	53.7	-61	0	0	0	112.8	E49 F50 R51 F58 L475 V480	E49-H478 IonicContact OE2-CD2 3.86Å; E49-H478 IonicContact OE2-NE2 3.97Å; F50-H478 WeakPolarHBondContact O-CA 3.04Å; F50-H478 WeakPolarHBondContact O-CB 3.31Å; R51-H478 HydrophobicContact CG-CB 3.49Å; R51-H478 VanDerWaalsContact CG-CB 3.49Å; R51-H478 VanDerWaalsContact CZ-CG 3.48Å; R51-H478 PolarHBondContact NH1-ND1 3.44Å; R51-H478 PolarHBondContact NH2-CD2 3.03Å; R51-H478 PolarHBondContact NH2-CE1 3.45Å; R51-H478 PolarHBondContact NH2-ND1 2.91Å; R51-H478 PolarHBondContact NH2-NE2 2.87Å; F58-H478 VanDerWaalsContact CD2-N 3.31Å; L475-H478 WeakPolarHBondContact CA-O 3.24Å; L475-H478 WeakPolarHBondContact CB-O 3.47Å; L475-H478 VanDerWaalsContact CD1-CE1 3.45Å; L475-H478 WeakPolarHBondContact CD1-CE1 3.34Å; L475-H478 WeakPolarHBondContact CD1-NE2 3.47Å; L475-H478 PolarHBondContact N-O 2.79Å; H478-V480 VanDerWaalsContact CD2-CG2 3.4Å; H478-V480 WeakPolarHBondContact CD2-CG2 3.48Å
479	V	96.6	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.3	164.9	179.1	0	0	0	0	108.7	E49 F50 F58 L61 L70 V72 L86 V473	E49-V479 CarbonylContact C-O 3.59Å; E49-V479 WeakPolarHBondContact CA-O 3.02Å; F50-V479 PolarHBondContact N-O 2.95Å; F50-V479 PolarHBondContact O-N 2.61Å; F58-V479 HydrophobicContact CB-CG2 3.76Å; F58-V479 HydrophobicContact CD1-CG2 3.65Å; F58-V479 HydrophobicContact CG-CG2 3.97Å; L61-V479 HydrophobicContact CD2-CG1 4.29Å; L61-V479 HydrophobicContact CD2-CG2 3.9Å; L70-V479 HydrophobicContact CD2-CG1 4.21Å; V72-V479 HydrophobicContact CG1-CG2 3.8Å; V72-V479 HydrophobicContact CG2-CG2 4.3Å; L86-V479 HydrophobicContact CD1-CG1 4.45Å; V473-V479 WeakPolarHBondContact O-CA 3.38Å
480	V	95.9	Very high	94.7	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.4	178.2	-175.3	0	0	0	0	109.4	L47 R48 E49 F472 V473 L475 H478 I482	L47-V480 HydrophobicContact CB-CG1 4.12Å; L47-V480 HydrophobicContact CD1-CG1 4.1Å; L47-V480 HydrophobicContact CD2-CG1 3.71Å; L47-V480 HydrophobicContact CG-CG1 4.19Å; R48-V480 CarbonylContact O-C 3.55Å; R48-V480 WeakPolarHBondContact O-CA 3.22Å; E49-V480 HydrophobicContact CG-CG2 4.2Å; F472-V480 CarbonylContact C-O 3.47Å; F472-V480 WeakPolarHBondContact CA-O 3.22Å; V473-V480 HydrophobicContact CB-CB 4.32Å; V473-V480 PolarHBondContact N-O 2.76Å; V473-V480 PolarHBondContact O-N 2.99Å; L475-V480 HydrophobicContact CD1-CG2 3.68Å; H478-V480 VanDerWaalsContact CD2-CG2 3.4Å; H478-V480 WeakPolarHBondContact CD2-CG2 3.48Å; V480-I482 HydrophobicContact CG1-CD1 4.44Å; V480-I482 HydrophobicContact CG1-CG1 3.89Å
481	K	96.3	Very high	94.5	Very high	25 Å²	25	38.1 Å²	38.1	11%	0.109	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.3	168.4	174.2	-176.7	174	175.3	0	109	R48 L83 E84 L86 V470 F472	R48-K481 HydrophobicContact CB-CB 4.2Å; R48-K481 PolarHBondContact N-O 2.92Å; R48-K481 PolarHBondContact O-N 2.83Å; L83-K481 PolarHBondContact O-NZ 2.91Å; E84-K481 PolarHBondContact O-NZ 2.85Å; L86-K481 HydrophobicContact CD1-CB 3.69Å; L86-K481 HydrophobicContact CG-CB 4.03Å; V470-K481 HydrophobicContact CG1-CD 4.05Å; V470-K481 HydrophobicContact CG1-CG 3.43Å; V470-K481 VanDerWaalsContact CG1-CG 3.43Å; F472-K481 HydrophobicContact CD1-CB 4.09Å; F472-K481 HydrophobicContact CD1-CG 4.37Å; F472-K481 HydrophobicContact CE1-CB 3.94Å; F472-K481 HydrophobicContact CE1-CD 4.01Å; F472-K481 HydrophobicContact CE1-CG 3.88Å; F472-K481 HydrophobicContact CZ-CD 4.23Å; F472-K481 HydrophobicContact CZ-CG 4.25Å
482	I	95.7	Very high	94.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.2	-179.4	-47.9	-177.1	0	0	0	108.8	L47 I429 L450 L471 V473 V480	L47-I482 HydrophobicContact CD2-CB 4.48Å; L47-I482 HydrophobicContact CD2-CD1 4.27Å; L47-I482 HydrophobicContact CD2-CG1 3.76Å; L47-I482 HydrophobicContact CD2-CG2 4.44Å; I429-I482 HydrophobicContact CD1-CD1 3.92Å; L450-I482 HydrophobicContact CD2-CD1 3.74Å; L471-I482 HydrophobicContact CB-CB 4.33Å; L471-I482 PolarHBondContact N-O 3.19Å; L471-I482 PolarHBondContact O-N 2.02Å; V473-I482 HydrophobicContact CG2-CD1 3.73Å; V473-I482 HydrophobicContact CG2-CG1 4.25Å; V480-I482 HydrophobicContact CG1-CD1 4.44Å; V480-I482 HydrophobicContact CG1-CG1 3.89Å
483	P	95.3	Very high	94.1	Very high	34 Å²	34	47.2 Å²	47.2	22%	0.221	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	135	172	27.2	-31.6	0	0	0	110	W46 R486	W46-P483 HydrophobicContact CB-CG 4.34Å; W46-P483 HydrophobicContact CE3-CG 3.91Å; W46-P483 WeakPolarHBondContact O-CD 2.99Å; P483-R486 HydrophobicContact CG-CG 4.11Å; P483-R486 WeakPolarHBondContact O-CD 3.03Å; P483-R486 VanDerWaalsContact O-CG 3.24Å; P483-R486 WeakPolarHBondContact O-CG 3.39Å; P483-R486 PolarHBondContact O-NH1 3.05Å
484	L	94.3	Very high	93.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	23%	0.234	C	C	.	.	S	Bend	trans	-81.3	-32.5	179.6	-58.6	-179.9	0	0	0	112.3	Y421 I464 S469 L471 R486 Y503	Y421-L484 HydrophobicContact CD1-CD2 4.27Å; Y421-L484 HydrophobicContact CE1-CD2 3.51Å; Y421-L484 HydrophobicContact CE2-CD1 3.86Å; Y421-L484 HydrophobicContact CE2-CD2 3.96Å; Y421-L484 HydrophobicContact CE2-CG 4.49Å; Y421-L484 WeakPolarHBondContact OH-CD2 3.35Å; I464-L484 HydrophobicContact CD1-CD1 3.7Å; I464-L484 HydrophobicContact CG1-CD1 4.18Å; S469-L484 WeakPolarHBondContact O-CB 3.43Å; S469-L484 VanDerWaalsContact O-CG 3.26Å; S469-L484 WeakPolarHBondContact O-CG 3.04Å; S469-L484 PolarHBondContact O-N 3.39Å; L471-L484 HydrophobicContact CB-CD2 3.71Å; L471-L484 HydrophobicContact CB-CG 4.47Å; L471-L484 HydrophobicContact CD2-CD2 4.39Å; L484-R486 PolarHBondContact O-N 2.85Å; L484-Y503 HydrophobicContact CB-CE1 4.19Å; L484-Y503 HydrophobicContact CB-CE2 4.41Å
485	K	92.8	Very high	93.4	Very high	61 Å²	61	54.4 Å²	54.4	27%	0.265	25%	0.253	S	S	.	.			trans	-84.9	86.5	175.6	-64.7	174.9	175.5	174	0	110.5	S469 Y503 E517	S469-K485 WeakPolarHBondContact OG-CE 3.45Å; K485-Y503 HydrophobicContact CG-CD1 3.68Å; K485-Y503 HydrophobicContact CG-CE1 4.46Å; K485-Y503 HydrophobicContact CG-CG 4.27Å; K485-E517 IonicContact NZ-OE1 2.72Å; K485-E517 PolarHBondContact NZ-OE1 2.89Å; K485-E517 IonicContact NZ-OE2 3.01Å; K485-E517 PolarHBondContact NZ-OE2 2.91Å
486	R	93.6	Very high	93.3	Very high	7 Å²	7	54.5 Å²	54.5	3%	0.026	25%	0.253	C	S	.	.			trans	-108.1	38.8	-179.6	-60.3	-172.1	-59.9	-85.4	-0.9	113.7	W46 E446 P483 L484 Q488 F489	W46-R486 HydrophobicContact CD2-CB 4.44Å; W46-R486 HydrophobicContact CD2-CG 4.11Å; W46-R486 HydrophobicContact CE3-CB 4.24Å; W46-R486 HydrophobicContact CE3-CG 3.77Å; W46-R486 HydrophobicContact CH2-CB 4.28Å; W46-R486 HydrophobicContact CZ3-CB 4.15Å; W46-R486 HydrophobicContact CZ3-CG 4.07Å; E446-R486 IonicContact OE1-CZ 2.7Å; E446-R486 IonicContact OE1-NH2 3.55Å; E446-R486 PolarHBondContact OE1-NH2 3.35Å; E446-R486 IonicContact OE2-NH2 2.81Å; E446-R486 PolarHBondContact OE2-NH2 3.2Å; P483-R486 HydrophobicContact CG-CG 4.11Å; P483-R486 WeakPolarHBondContact O-CD 3.03Å; P483-R486 VanDerWaalsContact O-CG 3.24Å; P483-R486 WeakPolarHBondContact O-CG 3.39Å; P483-R486 PolarHBondContact O-NH1 3.05Å; L484-R486 PolarHBondContact O-N 2.85Å; R486-Q488 VanDerWaalsContact C-N 3.26Å; R486-Q488 PolarHBondContact O-N 2.87Å; R486-F489 WeakPolarHBondContact O-CB 3.32Å; R486-F489 PolarHBondContact O-N 3.3Å
487	C	93.9	Very high	93.2	Very high	7 Å²	7	51 Å²	51	5%	0.047	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-62.5	-30.2	-171	-50.6	0	0	0	0	113.9	F489 Y490 Y503 C504 C513	C487-F489 PolarHBondContact O-N 3.3Å; C487-F489 VanDerWaalsContact O-N 3.11Å; C487-Y490 PolarHBondContact O-N 2.92Å; C487-Y503 PolarHBondContact SG-O 3.5Å; C487-C504 WeakPolarHBondContact CA-SG 3.37Å; C487-C504 HydrophobicContact CB-CB 3.74Å; C487-C504 WeakPolarHBondContact CB-SG 3.46Å; C487-C504 PolarHBondContact N-SG 2.86Å; C487-C504 WeakPolarHBondContact SG-CA 3.45Å; C487-C504 WeakPolarHBondContact SG-CB 3.02Å; C487-C504 CovalentContact SG-SG 2.05Å; C487-C504 PolarHBondContact SG-SG 2.8Å; C487-C513 HydrophobicContact CB-CB 4.41Å; C487-C513 VanDerWaalsContact O-CB 3.31Å; C487-C513 WeakPolarHBondContact O-CB 3.49Å
488	Q	91.6	Very high	93	Very high	137 Å²	137	49.1 Å²	49.1	64%	0.64	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-66.6	-12.5	177.2	-45.9	177.4	-2.9	0	0	113.3	W46 R486 Y490	W46-Q488 HydrophobicContact CH2-CB 3.88Å; W46-Q488 HydrophobicContact CH2-CG 4.39Å; W46-Q488 HydrophobicContact CZ2-CB 4.26Å; R486-Q488 VanDerWaalsContact C-N 3.26Å; R486-Q488 PolarHBondContact O-N 2.87Å; Q488-Y490 PolarHBondContact O-N 2.9Å
489	F	90.3	Very high	92.7	Very high	72 Å²	72	49.6 Å²	49.6	32%	0.316	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-60.9	-33.8	169.7	-168.6	-98.8	0	0	0	111.3	E42 W46 R486 C487 R491	E42-F489 HydrophobicContact CB-CE2 4.41Å; E42-F489 HydrophobicContact CB-CZ 4.47Å; W46-F489 HydrophobicContact CZ2-CB 4.23Å; W46-F489 AromaticContact NE1-CD2 3.86Å; R486-F489 WeakPolarHBondContact O-CB 3.32Å; R486-F489 PolarHBondContact O-N 3.3Å; C487-F489 PolarHBondContact O-N 3.3Å; C487-F489 VanDerWaalsContact O-N 3.11Å; F489-R491 PolarHBondContact O-N 2.05Å
490	Y	91.2	Very high	92.4	Very high	34 Å²	34	50.7 Å²	50.7	13%	0.133	25%	0.254	C	S	.	.			trans	-92.7	97.9	-179	-49.8	-62.4	0	0	0	111.5	C487 Q488 A499 C513	C487-Y490 PolarHBondContact O-N 2.92Å; Q488-Y490 PolarHBondContact O-N 2.9Å; Y490-A499 HydrophobicContact CD1-CB 3.92Å; Y490-A499 HydrophobicContact CD2-CB 4.08Å; Y490-A499 HydrophobicContact CE1-CB 3.43Å; Y490-A499 VanDerWaalsContact CE1-CB 3.43Å; Y490-A499 HydrophobicContact CE2-CB 3.62Å; Y490-A499 HydrophobicContact CG-CB 4.22Å; Y490-C513 VanDerWaalsContact O-CB 3.25Å; Y490-C513 WeakPolarHBondContact O-CB 3.24Å
491	R	91.2	Very high	92.2	Very high	222 Å²	222	50.8 Å²	50.8	84%	0.838	25%	0.254	S	S	*	.			trans	-76.8	-22.3	-173.1	-62.5	-174.6	-179.6	-174.6	0.3	114.8	F489	F489-R491 PolarHBondContact O-N 2.05Å
492	T	92	Very high	92	Very high	63 Å²	63	49.7 Å²	49.7	39%	0.387	25%	0.25	S	C	.	.	S	Bend	trans	-120.6	155.8	-174.6	70.7	0	0	0	0	111.4	S494 T495 C496	T492-S494 VanDerWaalsContact C-N 3.29Å; T492-S494 PolarHBondContact O-N 2.98Å; T492-S494 PolarHBondContact OG1-OG 3.5Å; T492-S494 VanDerWaalsContact OG1-OG 3.13Å; T492-T495 PolarHBondContact N-OG1 2.75Å; T492-T495 VanDerWaalsContact N-OG1 3.07Å; T492-T495 PolarHBondContact O-N 3.36Å; T492-T495 PolarHBondContact O-OG1 3.25Å; T492-T495 WeakPolarHBondContact OG1-CG2 3.4Å; T492-T495 PolarHBondContact OG1-N 3.02Å; T492-T495 PolarHBondContact OG1-OG1 2.84Å; T492-C496 WeakPolarHBondContact O-CB 3.38Å; T492-C496 PolarHBondContact O-N 3.44Å
493	R	93.2	Very high	91.9	Very high	128 Å²	128	50 Å²	50	48%	0.483	25%	0.251	S	S	.	.	H	α-helix	trans	-54.4	-45	176.3	-176.4	172.4	179.6	-133.3	8.6	112.1	C496 I497 W506 E526	R493-C496 PolarHBondContact O-N 3.07Å; R493-I497 HydrophobicContact CG-CD1 3.66Å; R493-I497 HydrophobicContact CG-CG1 4.39Å; R493-I497 WeakPolarHBondContact O-CB 3.46Å; R493-I497 WeakPolarHBondContact O-CG1 3.5Å; R493-I497 PolarHBondContact O-N 3.34Å; R493-W506 VanDerWaalsContact CA-CE3 3.44Å; R493-W506 HydrophobicContact CB-CD2 3.64Å; R493-W506 HydrophobicContact CB-CE3 4.09Å; R493-W506 HydrophobicContact CB-CG 3.98Å; R493-W506 HydrophobicContact CB-CH2 4.35Å; R493-W506 HydrophobicContact CB-CZ2 3.94Å; R493-W506 HydrophobicContact CB-CZ3 4.42Å; R493-W506 HydrophobicContact CG-CB 4.26Å; R493-W506 HydrophobicContact CG-CD2 3.9Å; R493-W506 HydrophobicContact CG-CG 3.66Å; R493-W506 VanDerWaalsContact N-CZ3 3.29Å; R493-E526 IonicContact CZ-OE1 3.12Å; R493-E526 IonicContact CZ-OE2 3.68Å; R493-E526 IonicContact NE-OE2 2.7Å; R493-E526 PolarHBondContact NE-OE2 2.97Å; R493-E526 IonicContact NH2-OE1 2.82Å; R493-E526 PolarHBondContact NH2-OE1 3.43Å; R493-E526 IonicContact NH2-OE2 3.49Å; R493-E526 PolarHBondContact NH2-OE2 2.83Å
494	S	89.8	Confident	91.8	Very high	89 Å²	89	48.5 Å²	48.5	62%	0.622	24%	0.241	S	C	*	.	H	α-helix	trans	-63.7	-44.7	179.4	52.2	0	0	0	0	111.9	T492 G498	T492-S494 VanDerWaalsContact C-N 3.29Å; T492-S494 PolarHBondContact O-N 2.98Å; T492-S494 PolarHBondContact OG1-OG 3.5Å; T492-S494 VanDerWaalsContact OG1-OG 3.13Å; S494-G498 WeakPolarHBondContact O-CA 3.31Å; S494-G498 PolarHBondContact O-N 3.31Å
495	T	89.6	Confident	91.9	Very high	63 Å²	63	48.5 Å²	48.5	39%	0.387	24%	0.241	S	C	.	.	H	α-helix	trans	-67.3	-36.1	176.9	52.5	0	0	0	0	112.8	T492 A499	T492-T495 PolarHBondContact N-OG1 2.75Å; T492-T495 VanDerWaalsContact N-OG1 3.07Å; T492-T495 PolarHBondContact O-N 3.36Å; T492-T495 PolarHBondContact O-OG1 3.25Å; T492-T495 WeakPolarHBondContact OG1-CG2 3.4Å; T492-T495 PolarHBondContact OG1-N 3.02Å; T492-T495 PolarHBondContact OG1-OG1 2.84Å; T495-A499 VanDerWaalsContact O-CB 3.31Å; T495-A499 WeakPolarHBondContact O-CB 3.25Å; T495-A499 PolarHBondContact O-N 3.09Å
496	C	93.6	Very high	92	Very high	2 Å²	2	47 Å²	47	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-70.4	-49.6	-178.6	-179.8	0	0	0	0	111.5	T492 R493 A499 G505 W506 C513	T492-C496 WeakPolarHBondContact O-CB 3.38Å; T492-C496 PolarHBondContact O-N 3.44Å; R493-C496 PolarHBondContact O-N 3.07Å; C496-A499 PolarHBondContact O-N 3.08Å; C496-G505 PolarHBondContact SG-O 3.22Å; C496-W506 HydrophobicContact CB-CE3 3.88Å; C496-W506 PolarHBondContact SG-N 3.48Å; C496-W506 VanDerWaalsContact SG-N 3.44Å; C496-C513 HydrophobicContact CB-CB 3.6Å; C496-C513 WeakPolarHBondContact CB-SG 3.43Å; C496-C513 WeakPolarHBondContact SG-CB 3.34Å; C496-C513 CovalentContact SG-SG 2.03Å; C496-C513 PolarHBondContact SG-SG 3.25Å
497	I	92.2	Very high	92	Very high	45 Å²	45	46.7 Å²	46.7	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-39	177.1	-61.9	175.5	0	0	0	110.3	R493 A499 Q500 W506 E526	R493-I497 HydrophobicContact CG-CD1 3.66Å; R493-I497 HydrophobicContact CG-CG1 4.39Å; R493-I497 WeakPolarHBondContact O-CB 3.46Å; R493-I497 WeakPolarHBondContact O-CG1 3.5Å; R493-I497 PolarHBondContact O-N 3.34Å; I497-A499 VanDerWaalsContact C-N 3.3Å; I497-A499 PolarHBondContact O-N 3.29Å; I497-Q500 VanDerWaalsContact O-CG 3.3Å; I497-Q500 WeakPolarHBondContact O-CG 3.44Å; I497-Q500 PolarHBondContact O-N 3.49Å; I497-W506 HydrophobicContact CD1-CB 4.36Å; I497-W506 HydrophobicContact CG1-CB 4.16Å; I497-E526 HydrophobicContact CD1-CB 4.34Å
498	G	88.5	Confident	92	Very high	38 Å²	38	49.4 Å²	49.4	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-70.2	-21.1	179.6	0	0	0	0	0	114.6	S494 Q500 P533	S494-G498 WeakPolarHBondContact O-CA 3.31Å; S494-G498 PolarHBondContact O-N 3.31Å; G498-Q500 PolarHBondContact O-N 3.18Å; G498-P533 WeakPolarHBondContact O-CB 3.39Å
499	A	88.7	Confident	91.9	Very high	12 Å²	12	46.4 Å²	46.4	10%	0.099	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.5	172.1	0	0	0	0	0	112.7	Y490 T495 C496 I497 D501	Y490-A499 HydrophobicContact CD1-CB 3.92Å; Y490-A499 HydrophobicContact CD2-CB 4.08Å; Y490-A499 HydrophobicContact CE1-CB 3.43Å; Y490-A499 VanDerWaalsContact CE1-CB 3.43Å; Y490-A499 HydrophobicContact CE2-CB 3.62Å; Y490-A499 HydrophobicContact CG-CB 4.22Å; T495-A499 VanDerWaalsContact O-CB 3.31Å; T495-A499 WeakPolarHBondContact O-CB 3.25Å; T495-A499 PolarHBondContact O-N 3.09Å; C496-A499 PolarHBondContact O-N 3.08Å; I497-A499 VanDerWaalsContact C-N 3.3Å; I497-A499 PolarHBondContact O-N 3.29Å; A499-D501 HydrophobicContact CB-CB 4.43Å; A499-D501 PolarHBondContact O-N 2.96Å
500	Q	90.1	Very high	92	Very high	23 Å²	23	46.1 Å²	46.1	11%	0.107	24%	0.24	C	C	.	.			trans	51.5	30.4	178.5	-57.2	-178.2	-27.8	0	0	113.8	I497 G498 P502 S528 A531 C532	I497-Q500 VanDerWaalsContact O-CG 3.3Å; I497-Q500 WeakPolarHBondContact O-CG 3.44Å; I497-Q500 PolarHBondContact O-N 3.49Å; G498-Q500 PolarHBondContact O-N 3.18Å; Q500-P502 WeakPolarHBondContact O-CD 3.48Å; Q500-S528 VanDerWaalsContact CA-O 3.31Å; Q500-S528 WeakPolarHBondContact CA-O 3.45Å; Q500-S528 WeakPolarHBondContact CB-O 3.32Å; Q500-S528 VanDerWaalsContact CG-O 3.3Å; Q500-S528 WeakPolarHBondContact CG-O 3.31Å; Q500-A531 PolarHBondContact OE1-O 2.93Å; Q500-C532 VanDerWaalsContact OE1-N 3.08Å; Q500-C532 PolarHBondContact OE1-O 2.89Å
501	D	91.9	Very high	92.1	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	27%	0.269	C	S	.	.			trans	-81.7	118.8	-178.7	-170.9	-14.2	0	0	0	109.6	K431 A499 Y503 C504 Q527	K431-D501 IonicContact NZ-OD1 3.64Å; K431-D501 PolarHBondContact NZ-OD1 3.17Å; K431-D501 IonicContact NZ-OD2 2.9Å; K431-D501 PolarHBondContact NZ-OD2 2.77Å; A499-D501 HydrophobicContact CB-CB 4.43Å; A499-D501 PolarHBondContact O-N 2.96Å; D501-Y503 PolarHBondContact O-N 3.36Å; D501-Y503 VanDerWaalsContact O-N 3.08Å; D501-Y503 VanDerWaalsContact OD1-CD2 3.3Å; D501-Y503 WeakPolarHBondContact OD1-CD2 3.4Å; D501-Y503 PolarHBondContact OD1-N 3.44Å; D501-C504 HydrophobicContact CB-CB 4.28Å; D501-C504 PolarHBondContact O-N 2.97Å; D501-Q527 PolarHBondContact O-NE2 3.42Å; D501-Q527 VanDerWaalsContact O-NE2 3.15Å
502	P	92.2	Very high	92.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.4	-178.7	-30.6	40.8	0	0	0	115.1	V410 V417 I419 R433 Q500 C504 Q527 I529	V410-P502 HydrophobicContact CB-CB 4.33Å; V410-P502 HydrophobicContact CG1-CB 4.09Å; V417-P502 HydrophobicContact CB-CB 4.49Å; V417-P502 HydrophobicContact CB-CG 4.47Å; V417-P502 HydrophobicContact CG1-CG 4.21Å; I419-P502 HydrophobicContact CD1-CB 4.3Å; I419-P502 HydrophobicContact CD1-CG 3.6Å; I419-P502 HydrophobicContact CG1-CG 4.41Å; R433-P502 HydrophobicContact CG-CG 4.31Å; Q500-P502 WeakPolarHBondContact O-CD 3.48Å; P502-C504 VanDerWaalsContact C-N 3.29Å; P502-C504 PolarHBondContact O-N 2.79Å; P502-Q527 VanDerWaalsContact C-NE2 3.28Å; P502-Q527 PolarHBondContact O-NE2 3.45Å; P502-I529 HydrophobicContact CG-CG2 4.15Å
503	Y	93.2	Very high	92.4	Very high	8 Å²	8	43.5 Å²	43.5	3%	0.031	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.1	175.7	-63.7	-88.1	0	0	0	113.5	D408 V410 I419 Y421 L484 K485 C487 D501 S515	D408-Y503 WeakPolarHBondContact CB-OH 3.45Å; D408-Y503 VanDerWaalsContact CG-OH 3.3Å; D408-Y503 PolarHBondContact OD2-OH 2.89Å; V410-Y503 HydrophobicContact CB-CE1 4.37Å; V410-Y503 HydrophobicContact CG1-CD1 3.78Å; V410-Y503 HydrophobicContact CG1-CD2 4.44Å; V410-Y503 HydrophobicContact CG1-CE1 3.93Å; V410-Y503 HydrophobicContact CG1-CG 4.08Å; V410-Y503 HydrophobicContact CG2-CD1 4.16Å; V410-Y503 HydrophobicContact CG2-CD2 4.38Å; V410-Y503 HydrophobicContact CG2-CE1 3.47Å; V410-Y503 VanDerWaalsContact CG2-CE1 3.47Å; V410-Y503 HydrophobicContact CG2-CE2 3.73Å; V410-Y503 WeakPolarHBondContact CG2-OH 3Å; I419-Y503 HydrophobicContact CG1-CE2 4.12Å; I419-Y503 HydrophobicContact CG2-CE2 4.38Å; Y421-Y503 WeakPolarHBondContact OH-CE2 3.49Å; Y421-Y503 VanDerWaalsContact OH-CZ 3.32Å; Y421-Y503 PolarHBondContact OH-OH 2.7Å; L484-Y503 HydrophobicContact CB-CE1 4.19Å; L484-Y503 HydrophobicContact CB-CE2 4.41Å; K485-Y503 HydrophobicContact CG-CD1 3.68Å; K485-Y503 HydrophobicContact CG-CE1 4.46Å; K485-Y503 HydrophobicContact CG-CG 4.27Å; C487-Y503 PolarHBondContact SG-O 3.5Å; D501-Y503 PolarHBondContact O-N 3.36Å; D501-Y503 VanDerWaalsContact O-N 3.08Å; D501-Y503 VanDerWaalsContact OD1-CD2 3.3Å; D501-Y503 WeakPolarHBondContact OD1-CD2 3.4Å; D501-Y503 PolarHBondContact OD1-N 3.44Å; Y503-S515 VanDerWaalsContact O-CA 3.32Å; Y503-S515 WeakPolarHBondContact O-CA 3.43Å; Y503-S515 WeakPolarHBondContact O-CB 3.44Å
504	C	94.8	Very high	92.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	21%	0.208	C	C	.	.			trans	-127.1	145.6	-165.6	-59	0	0	0	0	113.1	C487 D501 P502 W525 Q527	C487-C504 WeakPolarHBondContact CA-SG 3.37Å; C487-C504 HydrophobicContact CB-CB 3.74Å; C487-C504 WeakPolarHBondContact CB-SG 3.46Å; C487-C504 PolarHBondContact N-SG 2.86Å; C487-C504 WeakPolarHBondContact SG-CA 3.45Å; C487-C504 WeakPolarHBondContact SG-CB 3.02Å; C487-C504 CovalentContact SG-SG 2.05Å; C487-C504 PolarHBondContact SG-SG 2.8Å; D501-C504 HydrophobicContact CB-CB 4.28Å; D501-C504 PolarHBondContact O-N 2.97Å; P502-C504 VanDerWaalsContact C-N 3.29Å; P502-C504 PolarHBondContact O-N 2.79Å; C504-W525 VanDerWaalsContact C-CZ2 3.49Å; C504-Q527 PolarHBondContact O-NE2 2.75Å
505	G	94.6	Very high	92.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	160	175.8	0	0	0	0	0	110.7	C496 D507 C513 T514 W525 E526	C496-G505 PolarHBondContact SG-O 3.22Å; G505-D507 PolarHBondContact O-N 3.38Å; G505-C513 WeakPolarHBondContact O-CA 3.33Å; G505-T514 PolarHBondContact N-O 3.35Å; G505-T514 PolarHBondContact O-N 2.92Å; G505-T514 VanDerWaalsContact O-O 3.11Å; G505-W525 VanDerWaalsContact CA-CE2 3.42Å; G505-W525 PolarHBondContact O-NE1 2.9Å; G505-E526 CarbonylContact C-O 3.57Å; G505-E526 VanDerWaalsContact CA-O 3.24Å; G505-E526 WeakPolarHBondContact CA-O 3.23Å
506	W	95.7	Very high	92.6	Very high	28 Å²	28	32.5 Å²	32.5	11%	0.106	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.7	-177.3	-174.2	-100.1	0	0	0	109.9	R493 C496 I497 V508 K511 C513 E526	R493-W506 VanDerWaalsContact CA-CE3 3.44Å; R493-W506 HydrophobicContact CB-CD2 3.64Å; R493-W506 HydrophobicContact CB-CE3 4.09Å; R493-W506 HydrophobicContact CB-CG 3.98Å; R493-W506 HydrophobicContact CB-CH2 4.35Å; R493-W506 HydrophobicContact CB-CZ2 3.94Å; R493-W506 HydrophobicContact CB-CZ3 4.42Å; R493-W506 HydrophobicContact CG-CB 4.26Å; R493-W506 HydrophobicContact CG-CD2 3.9Å; R493-W506 HydrophobicContact CG-CG 3.66Å; R493-W506 VanDerWaalsContact N-CZ3 3.29Å; C496-W506 HydrophobicContact CB-CE3 3.88Å; C496-W506 PolarHBondContact SG-N 3.48Å; C496-W506 VanDerWaalsContact SG-N 3.44Å; I497-W506 HydrophobicContact CD1-CB 4.36Å; I497-W506 HydrophobicContact CG1-CB 4.16Å; W506-V508 PolarHBondContact O-N 3.29Å; W506-K511 VanDerWaalsContact CH2-O 3.29Å; W506-K511 WeakPolarHBondContact CH2-O 3.01Å; W506-K511 HydrophobicContact CZ2-CB 4.46Å; W506-C513 HydrophobicContact CE3-CB 4.23Å; W506-E526 HydrophobicContact CB-CB 4.46Å; W506-E526 PolarHBondContact N-O 3.28Å; W506-E526 PolarHBondContact O-N 3.43Å
507	D	94.6	Very high	92.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.2	171.3	-172.8	-38.8	0	0	0	109.1	G505 V509 M510 K511 K512 T514 S519	G505-D507 PolarHBondContact O-N 3.38Å; D507-V509 VanDerWaalsContact C-N 3.28Å; D507-V509 PolarHBondContact O-N 3.41Å; D507-V509 WeakPolarHBondContact OD1-CA 3.06Å; D507-V509 WeakPolarHBondContact OD1-CB 3.28Å; D507-V509 PolarHBondContact OD1-N 3.02Å; D507-M510 HydrophobicContact CB-CB 4.12Å; D507-M510 HydrophobicContact CB-CG 4.49Å; D507-M510 PolarHBondContact OD1-N 3.48Å; D507-M510 WeakPolarHBondContact OD2-CG 3.02Å; D507-K511 WeakPolarHBondContact O-CA 3.27Å; D507-K511 PolarHBondContact O-N 2.91Å; D507-K512 PolarHBondContact N-O 2.99Å; D507-T514 HydrophobicContact CB-CG2 4.17Å; D507-S519 WeakPolarHBondContact OD2-CA 2.94Å; D507-S519 PolarHBondContact OD2-OG 3.3Å
508	V	92.7	Very high	92.1	Very high	65 Å²	65	42 Å²	42	39%	0.394	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.5	-178.2	178.8	0	0	0	0	111.9	W506 Q524 E526	W506-V508 PolarHBondContact O-N 3.29Å; V508-Q524 WeakPolarHBondContact CG2-O 3.35Å; V508-Q524 PolarHBondContact N-O 3.25Å; V508-Q524 VanDerWaalsContact N-O 3.11Å; V508-E526 HydrophobicContact CG2-CG 4.07Å
509	V	90.9	Very high	92	Very high	74 Å²	74	41.1 Å²	41.1	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-50.1	179.9	-175.6	0	0	0	0	110.3	D507 K511 Q524	D507-V509 VanDerWaalsContact C-N 3.28Å; D507-V509 PolarHBondContact O-N 3.41Å; D507-V509 WeakPolarHBondContact OD1-CA 3.06Å; D507-V509 WeakPolarHBondContact OD1-CB 3.28Å; D507-V509 PolarHBondContact OD1-N 3.02Å; V509-K511 VanDerWaalsContact C-N 3.27Å; V509-K511 PolarHBondContact O-N 3.4Å; V509-Q524 HydrophobicContact CG2-CB 4.11Å; V509-Q524 HydrophobicContact CG2-CG 4.42Å
510	M	91.4	Very high	91.7	Very high	65 Å²	65	47.1 Å²	47.1	32%	0.32	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12.9	-179.1	-60.1	-162.4	-171.2	0	0	113.1	D507 K512 T514 E518 L520	D507-M510 HydrophobicContact CB-CB 4.12Å; D507-M510 HydrophobicContact CB-CG 4.49Å; D507-M510 PolarHBondContact OD1-N 3.48Å; D507-M510 WeakPolarHBondContact OD2-CG 3.02Å; M510-K512 HydrophobicContact CB-CD 4.26Å; M510-K512 HydrophobicContact CB-CG 3.72Å; M510-K512 PolarHBondContact O-N 2.99Å; M510-K512 WeakPolarHBondContact SD-CE 3.25Å; M510-T514 HydrophobicContact SD-CG2 4.38Å; M510-E518 WeakPolarHBondContact CE-O 3.48Å; M510-L520 HydrophobicContact CE-CD1 3.84Å; M510-L520 HydrophobicContact CE-CD2 4.39Å; M510-L520 HydrophobicContact CE-CG 3.58Å
511	K	92.6	Very high	91.3	Very high	168 Å²	168	47.7 Å²	47.7	73%	0.73	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.9	-176.6	-59.6	-178.4	179.4	178.3	0	113	W506 D507 V509	W506-K511 VanDerWaalsContact CH2-O 3.29Å; W506-K511 WeakPolarHBondContact CH2-O 3.01Å; W506-K511 HydrophobicContact CZ2-CB 4.46Å; D507-K511 WeakPolarHBondContact O-CA 3.27Å; D507-K511 PolarHBondContact O-N 2.91Å; V509-K511 VanDerWaalsContact C-N 3.27Å; V509-K511 PolarHBondContact O-N 3.4Å
512	K	94.2	Very high	90.8	Very high	93 Å²	93	54.1 Å²	54.1	40%	0.404	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.9	178.5	62.7	172.4	179.4	161.2	0	110.2	D507 M510 T514	D507-K512 PolarHBondContact N-O 2.99Å; M510-K512 HydrophobicContact CB-CD 4.26Å; M510-K512 HydrophobicContact CB-CG 3.72Å; M510-K512 PolarHBondContact O-N 2.99Å; M510-K512 WeakPolarHBondContact SD-CE 3.25Å; K512-T514 HydrophobicContact CD-CG2 3.93Å; K512-T514 VanDerWaalsContact CE-CG2 3.49Å; K512-T514 HydrophobicContact CG-CG2 3.65Å
513	C	95.9	Very high	90.5	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.027	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.5	172.3	-163.4	0	0	0	0	109.4	C487 Y490 C496 G505 W506	C487-C513 HydrophobicContact CB-CB 4.41Å; C487-C513 VanDerWaalsContact O-CB 3.31Å; C487-C513 WeakPolarHBondContact O-CB 3.49Å; Y490-C513 VanDerWaalsContact O-CB 3.25Å; Y490-C513 WeakPolarHBondContact O-CB 3.24Å; C496-C513 HydrophobicContact CB-CB 3.6Å; C496-C513 WeakPolarHBondContact CB-SG 3.43Å; C496-C513 WeakPolarHBondContact SG-CB 3.34Å; C496-C513 CovalentContact SG-SG 2.03Å; C496-C513 PolarHBondContact SG-SG 3.25Å; G505-C513 WeakPolarHBondContact O-CA 3.33Å; W506-C513 HydrophobicContact CE3-CB 4.23Å
514	T	94.5	Very high	90.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	164.9	-175.5	62.2	0	0	0	0	111.1	G505 D507 M510 K512 E518 W525	G505-T514 PolarHBondContact N-O 3.35Å; G505-T514 PolarHBondContact O-N 2.92Å; G505-T514 VanDerWaalsContact O-O 3.11Å; D507-T514 HydrophobicContact CB-CG2 4.17Å; M510-T514 HydrophobicContact SD-CG2 4.38Å; K512-T514 HydrophobicContact CD-CG2 3.93Å; K512-T514 VanDerWaalsContact CE-CG2 3.49Å; K512-T514 HydrophobicContact CG-CG2 3.65Å; T514-E518 HydrophobicContact CG2-CB 4.45Å; T514-W525 PolarHBondContact O-NE1 3.02Å; T514-W525 PolarHBondContact OG1-NE1 3.04Å
515	S	92.9	Very high	90.2	Very high	5 Å²	5	63.5 Å²	63.5	4%	0.035	32%	0.323	C	S	.	.			trans	-77.4	159.6	162.2	56.9	0	0	0	0	111.4	Y503 E517 E518 S519	Y503-S515 VanDerWaalsContact O-CA 3.32Å; Y503-S515 WeakPolarHBondContact O-CA 3.43Å; Y503-S515 WeakPolarHBondContact O-CB 3.44Å; S515-E517 PolarHBondContact O-N 3.44Å; S515-E518 PolarHBondContact O-N 3.31Å; S515-E518 WeakPolarHBondContact OG-CG 3.25Å; S515-S519 PolarHBondContact O-N 2.85Å
516	L	89.9	Confident	90.1	Very high	43 Å²	43	66 Å²	66	23%	0.225	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-55.1	-39.2	179.1	-174	63.3	0	0	0	112.9	Q411 E518 S519 M522 W525	Q411-L516 HydrophobicContact CG-CD2 4.13Å; L516-E518 VanDerWaalsContact C-N 3.27Å; L516-E518 PolarHBondContact O-N 2.93Å; L516-S519 WeakPolarHBondContact O-CB 2.97Å; L516-S519 PolarHBondContact O-N 2.88Å; L516-M522 HydrophobicContact CD1-CG 4.03Å; L516-W525 HydrophobicContact CB-CH2 4.23Å; L516-W525 HydrophobicContact CB-CZ2 4.23Å; L516-W525 HydrophobicContact CD1-CD2 4.02Å; L516-W525 HydrophobicContact CD1-CE3 3.81Å; L516-W525 HydrophobicContact CD1-CG 4.48Å; L516-W525 HydrophobicContact CD1-CZ3 4.1Å
517	E	87.4	Confident	89.9	Confident	156 Å²	156	65.7 Å²	65.7	73%	0.729	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25.9	178.2	-66.4	161.7	-156.7	0	0	114	K485 S515	K485-E517 IonicContact NZ-OE1 2.72Å; K485-E517 PolarHBondContact NZ-OE1 2.89Å; K485-E517 IonicContact NZ-OE2 3.01Å; K485-E517 PolarHBondContact NZ-OE2 2.91Å; S515-E517 PolarHBondContact O-N 3.44Å
518	E	88.2	Confident	89.6	Confident	92 Å²	92	67.5 Å²	67.5	43%	0.43	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-87.8	-17.3	179.9	-72.6	179.3	-174.3	0	0	112.1	M510 T514 S515 L516	M510-E518 WeakPolarHBondContact CE-O 3.48Å; T514-E518 HydrophobicContact CG2-CB 4.45Å; S515-E518 PolarHBondContact O-N 3.31Å; S515-E518 WeakPolarHBondContact OG-CG 3.25Å; L516-E518 VanDerWaalsContact C-N 3.27Å; L516-E518 PolarHBondContact O-N 2.93Å
519	S	86.7	Confident	89.2	Confident	19 Å²	19	66 Å²	66	13%	0.133	34%	0.337	C	S	.	.			trans	-72.4	137.6	-178.3	-179.4	0	0	0	0	111.2	D507 S515 L516 S521	D507-S519 WeakPolarHBondContact OD2-CA 2.94Å; D507-S519 PolarHBondContact OD2-OG 3.3Å; S515-S519 PolarHBondContact O-N 2.85Å; L516-S519 WeakPolarHBondContact O-CB 2.97Å; L516-S519 PolarHBondContact O-N 2.88Å; S519-S521 VanDerWaalsContact C-N 3.27Å; S519-S521 PolarHBondContact O-N 3.43Å; S519-S521 PolarHBondContact OG-N 3.46Å; S519-S521 PolarHBondContact OG-O 2.97Å
520	L	81	Confident	88.7	Confident	137 Å²	137	67.5 Å²	67.5	72%	0.717	35%	0.35	S	S	*	.	S	Bend	trans	-74.3	-19.9	174.7	-67.7	167.7	0	0	0	112.6	M510	M510-L520 HydrophobicContact CE-CD1 3.84Å; M510-L520 HydrophobicContact CE-CD2 4.39Å; M510-L520 HydrophobicContact CE-CG 3.58Å
521	S	82.2	Confident	88.1	Confident	35 Å²	35	66.7 Å²	66.7	25%	0.245	35%	0.354	C	S	.	.			trans	-154	122.8	-176.9	179	0	0	0	0	112.1	S519 T523 Q524 W525	S519-S521 VanDerWaalsContact C-N 3.27Å; S519-S521 PolarHBondContact O-N 3.43Å; S519-S521 PolarHBondContact OG-N 3.46Å; S519-S521 PolarHBondContact OG-O 2.97Å; S521-T523 PolarHBondContact O-N 2.94Å; S521-T523 PolarHBondContact OG-N 3.26Å; S521-T523 PolarHBondContact OG-OG1 3.37Å; S521-Q524 PolarHBondContact O-N 3.39Å; S521-W525 PolarHBondContact O-N 3.16Å
522	M	81.4	Confident	87.7	Confident	139 Å²	139	61 Å²	61	69%	0.685	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.1	-27.4	175.5	-63	-167.7	-66.4	0	0	113.1	L516 Q524 W525	L516-M522 HydrophobicContact CD1-CG 4.03Å; M522-Q524 VanDerWaalsContact C-N 3.33Å; M522-W525 PolarHBondContact O-N 3.47Å
523	T	85.6	Confident	87.1	Confident	114 Å²	114	57 Å²	57	70%	0.699	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-73.1	-28.5	-178.9	58.5	0	0	0	0	112.4	S521	S521-T523 PolarHBondContact O-N 2.94Å; S521-T523 PolarHBondContact OG-N 3.26Å; S521-T523 PolarHBondContact OG-OG1 3.37Å
524	Q	88.5	Confident	85.7	Confident	93 Å²	93	60.8 Å²	60.8	44%	0.435	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-99.7	6.3	179.6	-66.8	176.4	-43.9	0	0	113	V508 V509 S521 M522	V508-Q524 WeakPolarHBondContact CG2-O 3.35Å; V508-Q524 PolarHBondContact N-O 3.25Å; V508-Q524 VanDerWaalsContact N-O 3.11Å; V509-Q524 HydrophobicContact CG2-CB 4.11Å; V509-Q524 HydrophobicContact CG2-CG 4.42Å; S521-Q524 PolarHBondContact O-N 3.39Å; M522-Q524 VanDerWaalsContact C-N 3.33Å
525	W	92.6	Very high	84.2	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.4	174.5	-165.9	81	0	0	0	109.7	R413 C504 G505 T514 L516 S521 M522 Q527	R413-W525 HydrophobicContact CB-CE3 4.23Å; R413-W525 HydrophobicContact CB-CZ3 3.9Å; R413-W525 HydrophobicContact CG-CE3 4.31Å; R413-W525 HydrophobicContact CG-CZ3 4.48Å; R413-W525 VanDerWaalsContact CZ-O 3.3Å; R413-W525 PolarHBondContact NE-O 2.96Å; R413-W525 VanDerWaalsContact NE-O 3.08Å; C504-W525 VanDerWaalsContact C-CZ2 3.49Å; G505-W525 VanDerWaalsContact CA-CE2 3.42Å; G505-W525 PolarHBondContact O-NE1 2.9Å; T514-W525 PolarHBondContact O-NE1 3.02Å; T514-W525 PolarHBondContact OG1-NE1 3.04Å; L516-W525 HydrophobicContact CB-CH2 4.23Å; L516-W525 HydrophobicContact CB-CZ2 4.23Å; L516-W525 HydrophobicContact CD1-CD2 4.02Å; L516-W525 HydrophobicContact CD1-CE3 3.81Å; L516-W525 HydrophobicContact CD1-CG 4.48Å; L516-W525 HydrophobicContact CD1-CZ3 4.1Å; S521-W525 PolarHBondContact O-N 3.16Å; M522-W525 PolarHBondContact O-N 3.47Å; W525-Q527 HydrophobicContact CE3-CB 4.05Å; W525-Q527 HydrophobicContact CH2-CB 4.01Å; W525-Q527 HydrophobicContact CH2-CG 4.23Å; W525-Q527 HydrophobicContact CZ3-CB 3.53Å; W525-Q527 HydrophobicContact CZ3-CG 4.14Å
526	E	93.1	Very high	82.5	Confident	53 Å²	53	72.7 Å²	72.7	25%	0.248	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129	-174.7	-63.2	178.5	162.1	0	0	110.9	R493 I497 G505 W506 V508	R493-E526 IonicContact CZ-OE1 3.12Å; R493-E526 IonicContact CZ-OE2 3.68Å; R493-E526 IonicContact NE-OE2 2.7Å; R493-E526 PolarHBondContact NE-OE2 2.97Å; R493-E526 IonicContact NH2-OE1 2.82Å; R493-E526 PolarHBondContact NH2-OE1 3.43Å; R493-E526 IonicContact NH2-OE2 3.49Å; R493-E526 PolarHBondContact NH2-OE2 2.83Å; I497-E526 HydrophobicContact CD1-CB 4.34Å; G505-E526 CarbonylContact C-O 3.57Å; G505-E526 VanDerWaalsContact CA-O 3.24Å; G505-E526 WeakPolarHBondContact CA-O 3.23Å; W506-E526 HydrophobicContact CB-CB 4.46Å; W506-E526 PolarHBondContact N-O 3.28Å; W506-E526 PolarHBondContact O-N 3.43Å; V508-E526 HydrophobicContact CG2-CG 4.07Å
527	Q	92.5	Very high	81	Confident	23 Å²	23	72.3 Å²	72.3	11%	0.107	39%	0.393	C	S	.	.			trans	-142.9	145.2	176.9	-176.7	-177.7	60.5	0	0	109.4	R413 D501 P502 C504 W525 I529	R413-Q527 HydrophobicContact CB-CB 4.25Å; D501-Q527 PolarHBondContact O-NE2 3.42Å; D501-Q527 VanDerWaalsContact O-NE2 3.15Å; P502-Q527 VanDerWaalsContact C-NE2 3.28Å; P502-Q527 PolarHBondContact O-NE2 3.45Å; C504-Q527 PolarHBondContact O-NE2 2.75Å; W525-Q527 HydrophobicContact CE3-CB 4.05Å; W525-Q527 HydrophobicContact CH2-CB 4.01Å; W525-Q527 HydrophobicContact CH2-CG 4.23Å; W525-Q527 HydrophobicContact CZ3-CB 3.53Å; W525-Q527 HydrophobicContact CZ3-CG 4.14Å; Q527-I529 HydrophobicContact CG-CG2 3.91Å
528	S	87.9	Confident	79.7	Confident	39 Å²	39	68.3 Å²	68.3	27%	0.273	38%	0.38	S	S	.	.			trans	-128.7	116.9	171.7	-176.6	0	0	0	0	109.1	Q500	Q500-S528 VanDerWaalsContact CA-O 3.31Å; Q500-S528 WeakPolarHBondContact CA-O 3.45Å; Q500-S528 WeakPolarHBondContact CB-O 3.32Å; Q500-S528 VanDerWaalsContact CG-O 3.3Å; Q500-S528 WeakPolarHBondContact CG-O 3.31Å
529	I	84.8	Confident	78.7	Confident	34 Å²	34	66 Å²	66	17%	0.174	37%	0.372	C	S	.	.			trans	-125	18.7	-179.4	54.4	166	0	0	0	112.1	V417 R433 P502 Q527	V417-I529 HydrophobicContact CG2-CD1 3.78Å; R433-I529 PolarHBondContact NH1-O 3.28Å; R433-I529 PolarHBondContact NH2-O 2.95Å; R433-I529 VanDerWaalsContact NH2-O 3.1Å; P502-I529 HydrophobicContact CG-CG2 4.15Å; Q527-I529 HydrophobicContact CG-CG2 3.91Å
530	S	78.5	Confident	78.3	Confident	104 Å²	104	68.6 Å²	68.6	73%	0.727	38%	0.384	S	S	*	.	S	Bend	trans	-85.6	-30.2	-175.1	53.1	0	0	0	0	113.6
531	A	80.2	Confident	78.2	Confident	49 Å²	49	62.6 Å²	62.6	41%	0.405	36%	0.355	S	S	.	.	S	Bend	trans	-109.6	-173.9	179.6	0	0	0	0	0	111.5	R433 Q500	R433-A531 PolarHBondContact NH1-O 3.18Å; R433-A531 PolarHBondContact NH2-O 2.9Å; Q500-A531 PolarHBondContact OE1-O 2.93Å
532	C	84.1	Confident	78.2	Confident	49 Å²	49	66.4 Å²	66.4	33%	0.331	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-101.9	146.5	168.4	-75.8	0	0	0	0	112.3	C443 Q500 T534	C443-C532 WeakPolarHBondContact CA-SG 3.46Å; C443-C532 HydrophobicContact CB-CB 4.35Å; C443-C532 WeakPolarHBondContact CB-SG 3.34Å; C443-C532 WeakPolarHBondContact SG-CA 3.09Å; C443-C532 WeakPolarHBondContact SG-CB 3.17Å; C443-C532 CovalentContact SG-SG 2.02Å; C443-C532 PolarHBondContact SG-SG 3.47Å; Q500-C532 VanDerWaalsContact OE1-N 3.08Å; Q500-C532 PolarHBondContact OE1-O 2.89Å; C532-T534 PolarHBondContact O-N 3.24Å; C532-T534 VanDerWaalsContact O-N 3.13Å
533	P	81.7	Confident	78.5	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.058	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.8	118	177.4	26.1	-32.1	0	0	0	108.1	P36 L445 G498	P36-P533 HydrophobicContact CG-CB 4.07Å; P36-P533 HydrophobicContact CG-CG 4.19Å; L445-P533 HydrophobicContact CD2-CG 4.42Å; G498-P533 WeakPolarHBondContact O-CB 3.39Å
534	T	66.5	Low	78.3	Confident	83 Å²	83	57.2 Å²	57.2	51%	0.509	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-98	117	173.8	53.7	0	0	0	0	108.4	T33 C532 N536	T33-T534 HydrophobicContact CG2-CG2 3.73Å; C532-T534 PolarHBondContact O-N 3.24Å; C532-T534 VanDerWaalsContact O-N 3.13Å; T534-N536 PolarHBondContact O-N 3.21Å
535	R	63.2	Low	78.3	Confident	124 Å²	124	59.5 Å²	59.5	47%	0.468	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-68.7	122.7	160.5	-94.5	-173.9	160.1	161.4	-0.7	107.6	E34 V37 L537	E34-R535 PolarHBondContact O-N 2.93Å; V37-R535 PolarHBondContact O-NH1 3.02Å; R535-L537 PolarHBondContact O-N 2.89Å
536	N	57.1	Low	78.1	Confident	130 Å²	130	62.7 Å²	62.7	70%	0.695	35%	0.351	S	S	*	.			trans	-60.9	106.3	168.5	-81.1	-5.9	0	0	0	107.8	T534 T538	T534-N536 PolarHBondContact O-N 3.21Å; N536-T538 PolarHBondContact O-N 3.25Å
537	L	57.4	Low	77.9	Confident	35 Å²	35	61.9 Å²	61.9	18%	0.183	35%	0.351	C	S	.	.			trans	-67.1	-17.6	170.8	-77.4	175.8	0	0	0	111.9	Q29 R32 E34 R535 V539 C577	Q29-L537 WeakPolarHBondContact O-CD1 3.2Å; R32-L537 HydrophobicContact CB-CD1 4.05Å; R32-L537 WeakPolarHBondContact O-CD1 3.21Å; E34-L537 HydrophobicContact CG-CD2 4.35Å; R535-L537 PolarHBondContact O-N 2.89Å; L537-V539 PolarHBondContact O-N 2.03Å; L537-C577 HydrophobicContact CB-CB 3.91Å; L537-C577 VanDerWaalsContact O-CB 3.31Å; L537-C577 WeakPolarHBondContact O-CB 3.48Å
538	T	61.2	Low	77.7	Confident	73 Å²	73	65.9 Å²	65.9	45%	0.448	38%	0.379	S	S	.	.			trans	-63.2	103.8	172.7	54.9	0	0	0	0	108.5	N536 Q576 C577	N536-T538 PolarHBondContact O-N 3.25Å; T538-Q576 WeakPolarHBondContact CA-O 3.45Å; T538-C577 WeakPolarHBondContact CG2-O 3.26Å
539	V	67.3	Low	77.6	Confident	43 Å²	43	68.9 Å²	68.9	26%	0.261	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-106.8	117	173.1	178.9	0	0	0	0	106.6	L537 P573 P575 Q576 G579	L537-V539 PolarHBondContact O-N 2.03Å; V539-P573 HydrophobicContact CG1-CB 3.79Å; V539-P573 HydrophobicContact CG1-CG 3.34Å; V539-P575 CarbonylContact O-C 3.41Å; V539-P575 VanDerWaalsContact O-CA 3.25Å; V539-P575 WeakPolarHBondContact O-CA 3.25Å; V539-Q576 HydrophobicContact CB-CB 4.16Å; V539-Q576 HydrophobicContact CG2-CB 4.47Å; V539-Q576 PolarHBondContact N-O 2.87Å; V539-Q576 PolarHBondContact O-N 2.98Å; V539-G579 WeakPolarHBondContact O-CA 3.14Å
540	D	78.2	Confident	77.6	Confident	74 Å²	74	70.7 Å²	70.7	40%	0.396	40%	0.397	S	S	.	.			trans	-71.8	137.1	173.5	-64.6	-28.2	0	0	0	109.8	H542 G579 W580	D540-H542 PolarHBondContact O-N 3.22Å; D540-G579 VanDerWaalsContact OD1-CA 3.23Å; D540-G579 WeakPolarHBondContact OD1-CA 3.44Å; D540-W580 HydrophobicContact CB-CB 4.48Å; D540-W580 VanDerWaalsContact OD1-CD1 3.24Å; D540-W580 PolarHBondContact OD1-N 3.27Å
541	G	78.4	Confident	77.9	Confident	10 Å²	10	71.2 Å²	71.2	10%	0.103	40%	0.398	C	S	.	.			trans	-69.2	128.8	-179.5	0	0	0	0	0	111.2	P573 W580 C582	G541-P573 WeakPolarHBondContact CA-O 3.29Å; G541-W580 PolarHBondContact N-O 2.97Å; G541-C582 PolarHBondContact O-SG 2.98Å; G541-C582 VanDerWaalsContact O-SG 3.32Å
542	H	82.2	Confident	77.8	Confident	115 Å²	115	70.3 Å²	70.3	53%	0.532	39%	0.388	S	S	.	.			trans	-117.7	142.3	168.3	-71.5	-83.9	0	0	0	111.2	D540 D571 S572 P573 C582	D540-H542 PolarHBondContact O-N 3.22Å; H542-D571 PolarHBondContact O-N 2.88Å; H542-S572 VanDerWaalsContact CB-O 3.29Å; H542-S572 WeakPolarHBondContact CB-O 3.2Å; H542-S572 PolarHBondContact O-N 2.91Å; H542-S572 VanDerWaalsContact O-N 3.1Å; H542-P573 PolarHBondContact N-O 3.35Å; H542-C582 PolarHBondContact N-SG 3.15Å
543	F	86.6	Confident	77.5	Confident	49 Å²	49	73 Å²	73	22%	0.215	40%	0.403	C	S	.	.			trans	-68.1	132.5	176	-81	-62.4	0	0	0	111.2	R568 C582 E583 G584	F543-R568 HydrophobicContact CD1-CB 4.45Å; F543-R568 HydrophobicContact CD1-CG 3.62Å; F543-R568 HydrophobicContact CE1-CG 4.1Å; F543-R568 VanDerWaalsContact CE2-NH2 3.33Å; F543-R568 HydrophobicContact CG-CG 4.24Å; F543-C582 HydrophobicContact CD1-CB 4.04Å; F543-C582 HydrophobicContact CD2-CB 3.75Å; F543-C582 HydrophobicContact CE1-CB 3.75Å; F543-C582 HydrophobicContact CE2-CB 3.46Å; F543-C582 VanDerWaalsContact CE2-CB 3.46Å; F543-C582 HydrophobicContact CG-CB 4.04Å; F543-C582 HydrophobicContact CZ-CB 3.44Å; F543-C582 VanDerWaalsContact CZ-CB 3.44Å; F543-C582 PolarHBondContact N-SG 2.79Å; F543-E583 WeakPolarHBondContact CE2-O 2.88Å; F543-G584 WeakPolarHBondContact CZ-O 3.33Å
544	G	83.3	Confident	76.8	Confident	12 Å²	12	75.8 Å²	75.8	12%	0.124	42%	0.416	C	S	.	.			trans	-67.2	176.6	166.4	0	0	0	0	0	113.2	S569 S572	G544-S569 PolarHBondContact N-O 3.25Å; G544-S572 VanDerWaalsContact CA-CB 3.49Å; G544-S572 WeakPolarHBondContact CA-OG 3.32Å
545	V	87.3	Confident	76.9	Confident	141 Å²	141	76.6 Å²	76.6	86%	0.855	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-63.1	140.8	176.9	-173.4	0	0	0	0	109.8
546	W	88.6	Confident	76.8	Confident	68 Å²	68	76.2 Å²	76.2	26%	0.258	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-60.1	136.6	172.8	-74.3	105.9	0	0	0	111.5	R566 R568 E588	W546-R566 HydrophobicContact CD2-CG 4.29Å; W546-R566 HydrophobicContact CE3-CB 4.26Å; W546-R566 HydrophobicContact CE3-CG 3.65Å; W546-R566 HydrophobicContact CZ3-CG 4.07Å; W546-R568 HydrophobicContact CD2-CB 4.15Å; W546-R568 HydrophobicContact CD2-CG 4.09Å; W546-R568 VanDerWaalsContact CE2-CD 3.45Å; W546-R568 HydrophobicContact CE3-CB 3.89Å; W546-R568 HydrophobicContact CE3-CG 3.8Å; W546-R568 HydrophobicContact CH2-CG 3.86Å; W546-R568 VanDerWaalsContact CZ2-CD 3.44Å; W546-R568 HydrophobicContact CZ2-CG 4.15Å; W546-R568 HydrophobicContact CZ3-CB 4.24Å; W546-R568 HydrophobicContact CZ3-CG 3.68Å; W546-E588 HydrophobicContact CH2-CB 3.73Å; W546-E588 HydrophobicContact CZ2-CB 4.48Å; W546-E588 HydrophobicContact CZ3-CB 3.81Å
547	S	88.7	Confident	76.6	Confident	35 Å²	35	73.7 Å²	73.7	25%	0.245	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-63.9	157.5	168.8	68	0	0	0	0	111.5	R566 T567	S547-R566 WeakPolarHBondContact O-CB 3.46Å; S547-T567 WeakPolarHBondContact CB-O 3.49Å; S547-T567 PolarHBondContact N-O 2.93Å; S547-T567 PolarHBondContact OG-N 2.85Å; S547-T567 PolarHBondContact OG-O 2.71Å; S547-T567 PolarHBondContact OG-OG1 3.32Å
548	P	88.8	Confident	76.7	Confident	107 Å²	107	78.2 Å²	78.2	70%	0.695	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-56.6	149.7	169.2	-21.5	32.5	0	0	0	111.2	T550	P548-T550 PolarHBondContact O-N 2.58Å
549	W	86.2	Confident	76.4	Confident	102 Å²	102	77.3 Å²	77.3	39%	0.386	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-60.4	123.7	174	-69.5	102.9	0	0	0	110.6	L564 R566 E588 A590	W549-L564 HydrophobicContact CE3-CB 3.77Å; W549-L564 HydrophobicContact CZ3-CB 4.37Å; W549-L564 WeakPolarHBondContact CZ3-O 3.46Å; W549-R566 HydrophobicContact CD2-CB 4.33Å; W549-R566 HydrophobicContact CD2-CG 4.19Å; W549-R566 HydrophobicContact CE3-CB 4.15Å; W549-R566 HydrophobicContact CE3-CG 3.97Å; W549-R566 HydrophobicContact CH2-CG 3.94Å; W549-R566 HydrophobicContact CZ2-CG 4.15Å; W549-R566 HydrophobicContact CZ3-CB 4.46Å; W549-R566 HydrophobicContact CZ3-CG 3.84Å; W549-E588 HydrophobicContact CH2-CG 3.98Å; W549-A590 HydrophobicContact CE3-CB 4.45Å; W549-A590 HydrophobicContact CH2-CB 3.49Å; W549-A590 VanDerWaalsContact CH2-CB 3.49Å; W549-A590 HydrophobicContact CZ2-CB 4.4Å; W549-A590 HydrophobicContact CZ3-CB 3.52Å
550	T	84.8	Confident	76.1	Confident	72 Å²	72	79.7 Å²	79.7	44%	0.442	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.7	178.8	52	0	0	0	0	111	P548 C552 L564 C565	P548-T550 PolarHBondContact O-N 2.58Å; T550-C552 PolarHBondContact O-N 3.04Å; T550-L564 CarbonylContact O-C 3.34Å; T550-L564 WeakPolarHBondContact O-CA 3.46Å; T550-C565 PolarHBondContact N-O 3.39Å; T550-C565 PolarHBondContact O-N 2.7Å; T550-C565 PolarHBondContact OG1-O 3.38Å
551	P	83.2	Confident	75.5	Confident	116 Å²	116	76.6 Å²	76.6	75%	0.753	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.7	173.1	-17.4	30.2	0	0	0	110.9	C563	P551-C563 CarbonylContact C-O 3.59Å; P551-C563 WeakPolarHBondContact CA-O 3.39Å
552	C	79.9	Confident	75.2	Confident	29 Å²	29	79.5 Å²	79.5	20%	0.196	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	166.6	177.7	60.5	0	0	0	0	110.3	T550 S562 C563 C565	T550-C552 PolarHBondContact O-N 3.04Å; C552-S562 CarbonylContact O-C 3.52Å; C552-C563 PolarHBondContact N-O 3.19Å; C552-C563 PolarHBondContact O-N 3.39Å; C552-C565 HydrophobicContact CB-CB 3.64Å; C552-C565 WeakPolarHBondContact CB-SG 3.4Å; C552-C565 WeakPolarHBondContact SG-CB 3.39Å; C552-C565 PolarHBondContact SG-N 2.97Å; C552-C565 CovalentContact SG-SG 2.01Å; C552-C565 PolarHBondContact SG-SG 3.38Å
553	T	77.5	Confident	75	Confident	106 Å²	106	74.2 Å²	74.2	65%	0.65	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.4	177.6	52.4	0	0	0	0	110.6	V560 G561	T553-V560 HydrophobicContact CG2-CG1 4.1Å; T553-G561 VanDerWaalsContact CA-O 3.31Å; T553-G561 WeakPolarHBondContact CA-O 3.2Å
554	H	67.2	Low	74.9	Confident	68 Å²	68	74.5 Å²	74.5	32%	0.315	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.5	174	-169.8	-100.5	0	0	0	110.2	D556 G561 C563	H554-D556 IonicContact CE1-OD1 3.71Å; H554-D556 PolarHBondContact CE1-OD1 3.15Å; H554-D556 IonicContact ND1-OD1 3.79Å; H554-D556 PolarHBondContact ND1-OD1 3.2Å; H554-D556 IonicContact ND1-OD2 3.87Å; H554-G561 PolarHBondContact N-O 2.05Å; H554-G561 PolarHBondContact O-N 3.37Å; H554-G561 VanDerWaalsContact O-N 3.07Å; H554-C563 WeakPolarHBondContact CB-SG 3.46Å
555	T	66.8	Low	75.1	Confident	99 Å²	99	74.5 Å²	74.5	61%	0.607	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	96.3	178.5	50.3	0	0	0	0	110.4	G557 V560	T555-G557 PolarHBondContact O-N 2.93Å; T555-V560 HydrophobicContact CG2-CG2 4.15Å
556	D	61	Low	75.2	Confident	117 Å²	117	70.7 Å²	70.7	63%	0.626	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	86.5	167.9	-87.2	-29.3	0	0	0	109.3	H554 S558 A559	H554-D556 IonicContact CE1-OD1 3.71Å; H554-D556 PolarHBondContact CE1-OD1 3.15Å; H554-D556 IonicContact ND1-OD1 3.79Å; H554-D556 PolarHBondContact ND1-OD1 3.2Å; H554-D556 IonicContact ND1-OD2 3.87Å; D556-S558 PolarHBondContact O-N 3.49Å; D556-A559 PolarHBondContact N-O 3.02Å; D556-A559 PolarHBondContact O-N 2.92Å
557	G	54.8	Low	75.2	Confident	77 Å²	77	70.4 Å²	70.4	79%	0.794	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	-20.1	163.3	0	0	0	0	0	118.9	T555	T555-G557 PolarHBondContact O-N 2.93Å
558	S	57.7	Low	75.3	Confident	130 Å²	130	71.2 Å²	71.2	91%	0.909	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-168.2	-12.6	176.9	-52.7	0	0	0	0	114	D556	D556-S558 PolarHBondContact O-N 3.49Å
559	A	55	Low	75.2	Confident	54 Å²	54	69.5 Å²	69.5	45%	0.446	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.3	-176.2	0	0	0	0	0	111.8	D556	D556-A559 PolarHBondContact N-O 3.02Å; D556-A559 PolarHBondContact O-N 2.92Å
560	V	62.8	Low	75.1	Confident	93 Å²	93	66.6 Å²	66.6	56%	0.564	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.4	172.8	-173.9	0	0	0	0	108.2	T553 T555	T553-V560 HydrophobicContact CG2-CG1 4.1Å; T555-V560 HydrophobicContact CG2-CG2 4.15Å
561	G	65.1	Low	75	Confident	8 Å²	8	67.5 Å²	67.5	8%	0.082	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.7	175.5	0	0	0	0	0	112.1	T553 H554 C563 S593	T553-G561 VanDerWaalsContact CA-O 3.31Å; T553-G561 WeakPolarHBondContact CA-O 3.2Å; H554-G561 PolarHBondContact N-O 2.05Å; H554-G561 PolarHBondContact O-N 3.37Å; H554-G561 VanDerWaalsContact O-N 3.07Å; G561-C563 PolarHBondContact O-N 3.47Å; G561-S593 WeakPolarHBondContact CA-O 3.36Å
562	S	71.7	Confident	74.7	Confident	72 Å²	72	65.2 Å²	65.2	50%	0.503	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	111.4	169.1	65.9	0	0	0	0	109.8	C552 S593	C552-S562 CarbonylContact O-C 3.52Å; S562-S593 WeakPolarHBondContact CA-OG 3.31Å; S562-S593 PolarHBondContact N-OG 3.12Å; S562-S593 WeakPolarHBondContact O-CB 3.3Å; S562-S593 PolarHBondContact O-N 3.22Å; S562-S593 PolarHBondContact O-OG 3.16Å; S562-S593 WeakPolarHBondContact OG-CB 3.42Å; S562-S593 PolarHBondContact OG-OG 2.99Å
563	C	78.8	Confident	74.6	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.027	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	170.7	179.4	-49.7	0	0	0	0	111	P551 C552 H554 G561 I589 C592	P551-C563 CarbonylContact C-O 3.59Å; P551-C563 WeakPolarHBondContact CA-O 3.39Å; C552-C563 PolarHBondContact N-O 3.19Å; C552-C563 PolarHBondContact O-N 3.39Å; H554-C563 WeakPolarHBondContact CB-SG 3.46Å; G561-C563 PolarHBondContact O-N 3.47Å; C563-I589 HydrophobicContact CB-CG2 3.73Å; C563-C592 HydrophobicContact CB-CB 3.99Å; C563-C592 WeakPolarHBondContact CB-SG 3.35Å; C563-C592 WeakPolarHBondContact SG-CA 3.35Å; C563-C592 WeakPolarHBondContact SG-CB 3.35Å; C563-C592 CovalentContact SG-SG 2.03Å; C563-C592 PolarHBondContact SG-SG 2.9Å
564	L	83.5	Confident	74.7	Confident	54 Å²	54	63.6 Å²	63.6	28%	0.283	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.8	161.8	-65.2	174.8	0	0	0	108.3	W549 T550 A590 N591	W549-L564 HydrophobicContact CE3-CB 3.77Å; W549-L564 HydrophobicContact CZ3-CB 4.37Å; W549-L564 WeakPolarHBondContact CZ3-O 3.46Å; T550-L564 CarbonylContact O-C 3.34Å; T550-L564 WeakPolarHBondContact O-CA 3.46Å; L564-A590 PolarHBondContact N-O 2.95Å; L564-A590 PolarHBondContact O-N 3.25Å; L564-A590 VanDerWaalsContact O-O 3.07Å; L564-N591 HydrophobicContact CD1-CB 4.01Å; L564-N591 WeakPolarHBondContact CD1-ND2 2.85Å; L564-N591 HydrophobicContact CG-CB 4.21Å
565	C	86.9	Confident	75.3	Confident	13 Å²	13	62.5 Å²	62.5	9%	0.088	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.2	175.8	-67.2	0	0	0	0	109.9	T550 C552 E588	T550-C565 PolarHBondContact N-O 3.39Å; T550-C565 PolarHBondContact O-N 2.7Å; T550-C565 PolarHBondContact OG1-O 3.38Å; C552-C565 HydrophobicContact CB-CB 3.64Å; C552-C565 WeakPolarHBondContact CB-SG 3.4Å; C552-C565 WeakPolarHBondContact SG-CB 3.39Å; C552-C565 PolarHBondContact SG-N 2.97Å; C552-C565 CovalentContact SG-SG 2.01Å; C552-C565 PolarHBondContact SG-SG 3.38Å; C565-E588 WeakPolarHBondContact CA-O 3.37Å
566	R	90.6	Very high	75.5	Confident	60 Å²	60	63.1 Å²	63.1	23%	0.226	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.6	159.4	61.6	178	-173.3	-173.6	-4.7	109.4	W546 S547 W549 M587 E588	W546-R566 HydrophobicContact CD2-CG 4.29Å; W546-R566 HydrophobicContact CE3-CB 4.26Å; W546-R566 HydrophobicContact CE3-CG 3.65Å; W546-R566 HydrophobicContact CZ3-CG 4.07Å; S547-R566 WeakPolarHBondContact O-CB 3.46Å; W549-R566 HydrophobicContact CD2-CB 4.33Å; W549-R566 HydrophobicContact CD2-CG 4.19Å; W549-R566 HydrophobicContact CE3-CB 4.15Å; W549-R566 HydrophobicContact CE3-CG 3.97Å; W549-R566 HydrophobicContact CH2-CG 3.94Å; W549-R566 HydrophobicContact CZ2-CG 4.15Å; W549-R566 HydrophobicContact CZ3-CB 4.46Å; W549-R566 HydrophobicContact CZ3-CG 3.84Å; R566-M587 WeakPolarHBondContact O-CA 3.5Å; R566-E588 HydrophobicContact CG-CB 3.92Å; R566-E588 IonicContact CZ-OE1 2.8Å; R566-E588 IonicContact CZ-OE2 3.92Å; R566-E588 PolarHBondContact N-O 2.92Å; R566-E588 IonicContact NE-OE1 3.12Å; R566-E588 IonicContact NE-OE2 2.77Å; R566-E588 PolarHBondContact NE-OE2 2.78Å; R566-E588 VanDerWaalsContact NH2-CD 3.31Å; R566-E588 IonicContact NH2-OE1 2.78Å; R566-E588 PolarHBondContact NH2-OE1 2.81Å; R566-E588 IonicContact NH2-OE2 3.2Å; R566-E588 PolarHBondContact NH2-OE2 3.39Å; R566-E588 PolarHBondContact O-N 2.88Å
567	T	88.5	Confident	75.9	Confident	63 Å²	63	59 Å²	59	39%	0.387	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.5	-174.5	54.4	0	0	0	0	109.7	S547 G586 M587	S547-T567 WeakPolarHBondContact CB-O 3.49Å; S547-T567 PolarHBondContact N-O 2.93Å; S547-T567 PolarHBondContact OG-N 2.85Å; S547-T567 PolarHBondContact OG-O 2.71Å; S547-T567 PolarHBondContact OG-OG1 3.32Å; T567-G586 CarbonylContact C-O 3.52Å; T567-G586 WeakPolarHBondContact CA-O 3.36Å; T567-M587 HydrophobicContact CG2-CB 4.32Å; T567-M587 HydrophobicContact CG2-CE 3.85Å; T567-M587 HydrophobicContact CG2-CG 4.11Å
568	R	90.3	Very high	76.4	Confident	52 Å²	52	59.1 Å²	59.1	20%	0.196	38%	0.381	C	S	.	.			trans	-137.3	144.3	170	60.7	-179.2	-179.4	168.2	1.2	108.7	F543 W546 P585 G586	F543-R568 HydrophobicContact CD1-CB 4.45Å; F543-R568 HydrophobicContact CD1-CG 3.62Å; F543-R568 HydrophobicContact CE1-CG 4.1Å; F543-R568 VanDerWaalsContact CE2-NH2 3.33Å; F543-R568 HydrophobicContact CG-CG 4.24Å; W546-R568 HydrophobicContact CD2-CB 4.15Å; W546-R568 HydrophobicContact CD2-CG 4.09Å; W546-R568 VanDerWaalsContact CE2-CD 3.45Å; W546-R568 HydrophobicContact CE3-CB 3.89Å; W546-R568 HydrophobicContact CE3-CG 3.8Å; W546-R568 HydrophobicContact CH2-CG 3.86Å; W546-R568 VanDerWaalsContact CZ2-CD 3.44Å; W546-R568 HydrophobicContact CZ2-CG 4.15Å; W546-R568 HydrophobicContact CZ3-CB 4.24Å; W546-R568 HydrophobicContact CZ3-CG 3.68Å; R568-P585 PolarHBondContact NE-O 3.33Å; R568-P585 PolarHBondContact NH2-O 3.31Å; R568-G586 PolarHBondContact N-O 2.86Å; R568-G586 VanDerWaalsContact O-O 3.12Å
569	S	87.2	Confident	77	Confident	70 Å²	70	53.5 Å²	53.5	49%	0.49	34%	0.344	S	S	.	.			trans	-102.6	150.2	179.2	-66.3	0	0	0	0	110	G544 D571	G544-S569 PolarHBondContact N-O 3.25Å; S569-D571 VanDerWaalsContact CB-CG 3.45Å; S569-D571 VanDerWaalsContact CB-OD2 3.26Å; S569-D571 WeakPolarHBondContact CB-OD2 3.34Å; S569-D571 PolarHBondContact O-N 3.08Å; S569-D571 VanDerWaalsContact O-N 3.08Å
570	C	84.7	Confident	78.2	Confident	42 Å²	42	60.1 Å²	60.1	28%	0.284	36%	0.358	S	S	.	.	S	Bend	trans	-83.2	68.7	171.2	-169.9	0	0	0	0	108.4	A574 P575 C582	C570-A574 VanDerWaalsContact O-CA 3.3Å; C570-A574 WeakPolarHBondContact O-CA 3.27Å; C570-A574 WeakPolarHBondContact O-CB 3.25Å; C570-P575 VanDerWaalsContact SG-CD 3.54Å; C570-C582 VanDerWaalsContact CA-SG 3.5Å; C570-C582 HydrophobicContact CB-CB 3.82Å; C570-C582 WeakPolarHBondContact CB-SG 3.1Å; C570-C582 WeakPolarHBondContact SG-CB 3.39Å; C570-C582 PolarHBondContact SG-N 3.43Å; C570-C582 VanDerWaalsContact SG-N 3.43Å; C570-C582 CovalentContact SG-SG 2.02Å; C570-C582 PolarHBondContact SG-SG 3.23Å
571	D	82.3	Confident	79.1	Confident	91 Å²	91	63.3 Å²	63.3	49%	0.487	37%	0.367	S	S	.	.			trans	-134.1	6.6	-169.1	65.2	-3.2	0	0	0	114	H542 S569 P573	H542-D571 PolarHBondContact O-N 2.88Å; S569-D571 VanDerWaalsContact CB-CG 3.45Å; S569-D571 VanDerWaalsContact CB-OD2 3.26Å; S569-D571 WeakPolarHBondContact CB-OD2 3.34Å; S569-D571 PolarHBondContact O-N 3.08Å; S569-D571 VanDerWaalsContact O-N 3.08Å; D571-P573 VanDerWaalsContact C-CA 3.48Å
572	S	76.7	Confident	80	Confident	67 Å²	67	64 Å²	64	47%	0.469	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	57.8	-170.5	-61.4	0	0	0	0	114.3	H542 G544	H542-S572 VanDerWaalsContact CB-O 3.29Å; H542-S572 WeakPolarHBondContact CB-O 3.2Å; H542-S572 PolarHBondContact O-N 2.91Å; H542-S572 VanDerWaalsContact O-N 3.1Å; G544-S572 VanDerWaalsContact CA-CB 3.49Å; G544-S572 WeakPolarHBondContact CA-OG 3.32Å
573	P	78.1	Confident	80.5	Confident	61 Å²	61	69.2 Å²	69.2	40%	0.396	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.4	163.6	-0.5	34.5	-35.6	0	0	0	113.2	V539 G541 H542 D571	V539-P573 HydrophobicContact CG1-CB 3.79Å; V539-P573 HydrophobicContact CG1-CG 3.34Å; G541-P573 WeakPolarHBondContact CA-O 3.29Å; H542-P573 PolarHBondContact N-O 3.35Å; D571-P573 VanDerWaalsContact C-CA 3.48Å
574	A	79.3	Confident	80.6	Confident	40 Å²	40	71.4 Å²	71.4	33%	0.331	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-70.1	146.1	171.9	0	0	0	0	0	111.4	C570 Q576	C570-A574 VanDerWaalsContact O-CA 3.3Å; C570-A574 WeakPolarHBondContact O-CA 3.27Å; C570-A574 WeakPolarHBondContact O-CB 3.25Å; A574-Q576 PolarHBondContact O-N 2.82Å
575	P	79.3	Confident	80.5	Confident	45 Å²	45	72.9 Å²	72.9	29%	0.292	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-65.3	127.8	178.5	24.9	-31.4	0	0	0	110.3	V539 C570	V539-P575 CarbonylContact O-C 3.41Å; V539-P575 VanDerWaalsContact O-CA 3.25Å; V539-P575 WeakPolarHBondContact O-CA 3.25Å; C570-P575 VanDerWaalsContact SG-CD 3.54Å
576	Q	71.8	Confident	80.3	Confident	113 Å²	113	73.8 Å²	73.8	53%	0.528	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-130.2	147.6	178.6	-66.4	-178	-14.1	0	0	110.4	T538 V539 A574 G578 G579	T538-Q576 WeakPolarHBondContact CA-O 3.45Å; V539-Q576 HydrophobicContact CB-CB 4.16Å; V539-Q576 HydrophobicContact CG2-CB 4.47Å; V539-Q576 PolarHBondContact N-O 2.87Å; V539-Q576 PolarHBondContact O-N 2.98Å; A574-Q576 PolarHBondContact O-N 2.82Å; Q576-G578 PolarHBondContact O-N 2.81Å; Q576-G579 PolarHBondContact O-N 2.86Å
577	C	68.7	Low	80	Confident	29 Å²	29	75.8 Å²	75.8	20%	0.196	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	41.8	169.7	-59.7	0	0	0	0	117	C30 L537 T538 G579	C30-C577 WeakPolarHBondContact CA-SG 3.03Å; C30-C577 HydrophobicContact CB-CB 3.27Å; C30-C577 WeakPolarHBondContact CB-SG 3.21Å; C30-C577 WeakPolarHBondContact SG-CA 3.41Å; C30-C577 WeakPolarHBondContact SG-CB 3.4Å; C30-C577 CovalentContact SG-SG 2.05Å; C30-C577 PolarHBondContact SG-SG 3.4Å; L537-C577 HydrophobicContact CB-CB 3.91Å; L537-C577 VanDerWaalsContact O-CB 3.31Å; L537-C577 WeakPolarHBondContact O-CB 3.48Å; T538-C577 WeakPolarHBondContact CG2-O 3.26Å; C577-G579 VanDerWaalsContact C-N 3.3Å
578	G	65.2	Low	79.8	Confident	80 Å²	80	76 Å²	76	83%	0.825	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	8.4	179.2	0	0	0	0	0	113.6	Q576	Q576-G578 PolarHBondContact O-N 2.81Å
579	G	70.9	Confident	79.5	Confident	13 Å²	13	76.8 Å²	76.8	13%	0.134	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-61.7	154.7	169.3	0	0	0	0	0	112.5	V539 D540 Q576 C577	V539-G579 WeakPolarHBondContact O-CA 3.14Å; D540-G579 VanDerWaalsContact OD1-CA 3.23Å; D540-G579 WeakPolarHBondContact OD1-CA 3.44Å; Q576-G579 PolarHBondContact O-N 2.86Å; C577-G579 VanDerWaalsContact C-N 3.3Å
580	W	79.1	Confident	78.9	Confident	192 Å²	192	74.8 Å²	74.8	73%	0.727	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-61.5	136.5	-175	-65.7	94.1	0	0	0	111.5	D540 G541	D540-W580 HydrophobicContact CB-CB 4.48Å; D540-W580 VanDerWaalsContact OD1-CD1 3.24Å; D540-W580 PolarHBondContact OD1-N 3.27Å; G541-W580 PolarHBondContact N-O 2.97Å
581	Q	83	Confident	78.5	Confident	161 Å²	161	76.5 Å²	76.5	75%	0.752	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-68.4	150.2	168.8	-72.3	-159.9	1.1	0	0	110.4	E583	Q581-E583 PolarHBondContact O-N 2.97Å; Q581-E583 VanDerWaalsContact O-N 3.15Å
582	C	83	Confident	78	Confident	22 Å²	22	74.1 Å²	74.1	15%	0.149	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-59.5	118.3	177	-60.5	0	0	0	0	111.3	G541 H542 F543 C570	G541-C582 PolarHBondContact O-SG 2.98Å; G541-C582 VanDerWaalsContact O-SG 3.32Å; H542-C582 PolarHBondContact N-SG 3.15Å; F543-C582 HydrophobicContact CD1-CB 4.04Å; F543-C582 HydrophobicContact CD2-CB 3.75Å; F543-C582 HydrophobicContact CE1-CB 3.75Å; F543-C582 HydrophobicContact CE2-CB 3.46Å; F543-C582 VanDerWaalsContact CE2-CB 3.46Å; F543-C582 HydrophobicContact CG-CB 4.04Å; F543-C582 HydrophobicContact CZ-CB 3.44Å; F543-C582 VanDerWaalsContact CZ-CB 3.44Å; F543-C582 PolarHBondContact N-SG 2.79Å; C570-C582 VanDerWaalsContact CA-SG 3.5Å; C570-C582 HydrophobicContact CB-CB 3.82Å; C570-C582 WeakPolarHBondContact CB-SG 3.1Å; C570-C582 WeakPolarHBondContact SG-CB 3.39Å; C570-C582 PolarHBondContact SG-N 3.43Å; C570-C582 VanDerWaalsContact SG-N 3.43Å; C570-C582 CovalentContact SG-SG 2.02Å; C570-C582 PolarHBondContact SG-SG 3.23Å
583	E	81.7	Confident	77.6	Confident	182 Å²	182	71.4 Å²	71.4	85%	0.85	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-82.3	116.7	174.5	-70.5	-167.5	158.4	0	0	111.5	F543 Q581	F543-E583 WeakPolarHBondContact CE2-O 2.88Å; Q581-E583 PolarHBondContact O-N 2.97Å; Q581-E583 VanDerWaalsContact O-N 3.15Å
584	G	81.2	Confident	77	Confident	49 Å²	49	74.4 Å²	74.4	51%	0.505	42%	0.42	S	S	.	.	S	Bend	trans	139.2	174.2	175.8	0	0	0	0	0	113.6	F543	F543-G584 WeakPolarHBondContact CZ-O 3.33Å
585	P	81.7	Confident	76.6	Confident	85 Å²	85	75.7 Å²	75.7	55%	0.552	42%	0.421	S	S	*	.			trans	-72.2	132.3	179.8	27.6	-33.2	0	0	0	111.5	R568	R568-P585 PolarHBondContact NE-O 3.33Å; R568-P585 PolarHBondContact NH2-O 3.31Å
586	G	83.4	Confident	76.1	Confident	33 Å²	33	74.4 Å²	74.4	34%	0.34	42%	0.416	S	S	.	.	S	Bend	trans	-84.8	-11.2	171.8	0	0	0	0	0	114	T567 R568	T567-G586 CarbonylContact C-O 3.52Å; T567-G586 WeakPolarHBondContact CA-O 3.36Å; R568-G586 PolarHBondContact N-O 2.86Å; R568-G586 VanDerWaalsContact O-O 3.12Å
587	M	84.1	Confident	76.3	Confident	101 Å²	101	69.8 Å²	69.8	50%	0.498	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	136.2	174.9	-179.2	-178.4	-69.3	0	0	108.8	R566 T567 I589	R566-M587 WeakPolarHBondContact O-CA 3.5Å; T567-M587 HydrophobicContact CG2-CB 4.32Å; T567-M587 HydrophobicContact CG2-CE 3.85Å; T567-M587 HydrophobicContact CG2-CG 4.11Å; M587-I589 HydrophobicContact CG-CG1 4.11Å; M587-I589 HydrophobicContact SD-CD1 4.15Å; M587-I589 HydrophobicContact SD-CG1 4.1Å
588	E	85.1	Confident	76.9	Confident	68 Å²	68	71.5 Å²	71.5	32%	0.318	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.4	173	-172	-179.9	165.4	0	0	108.9	W546 W549 C565 R566	W546-E588 HydrophobicContact CH2-CB 3.73Å; W546-E588 HydrophobicContact CZ2-CB 4.48Å; W546-E588 HydrophobicContact CZ3-CB 3.81Å; W549-E588 HydrophobicContact CH2-CG 3.98Å; C565-E588 WeakPolarHBondContact CA-O 3.37Å; R566-E588 HydrophobicContact CG-CB 3.92Å; R566-E588 IonicContact CZ-OE1 2.8Å; R566-E588 IonicContact CZ-OE2 3.92Å; R566-E588 PolarHBondContact N-O 2.92Å; R566-E588 IonicContact NE-OE1 3.12Å; R566-E588 IonicContact NE-OE2 2.77Å; R566-E588 PolarHBondContact NE-OE2 2.78Å; R566-E588 VanDerWaalsContact NH2-CD 3.31Å; R566-E588 IonicContact NH2-OE1 2.78Å; R566-E588 PolarHBondContact NH2-OE1 2.81Å; R566-E588 IonicContact NH2-OE2 3.2Å; R566-E588 PolarHBondContact NH2-OE2 3.39Å; R566-E588 PolarHBondContact O-N 2.88Å
589	I	82.2	Confident	77.6	Confident	69 Å²	69	69.1 Å²	69.1	35%	0.354	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.6	-178.2	-52.8	175.8	0	0	0	107.4	C563 M587 C592	C563-I589 HydrophobicContact CB-CG2 3.73Å; M587-I589 HydrophobicContact CG-CG1 4.11Å; M587-I589 HydrophobicContact SD-CD1 4.15Å; M587-I589 HydrophobicContact SD-CG1 4.1Å; I589-C592 WeakPolarHBondContact CG2-SG 3.12Å
590	A	76.2	Confident	78.2	Confident	28 Å²	28	73.4 Å²	73.4	23%	0.231	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	163.4	175.3	0	0	0	0	0	110.2	W549 L564 C592	W549-A590 HydrophobicContact CE3-CB 4.45Å; W549-A590 HydrophobicContact CH2-CB 3.49Å; W549-A590 VanDerWaalsContact CH2-CB 3.49Å; W549-A590 HydrophobicContact CZ2-CB 4.4Å; W549-A590 HydrophobicContact CZ3-CB 3.52Å; L564-A590 PolarHBondContact N-O 2.95Å; L564-A590 PolarHBondContact O-N 3.25Å; L564-A590 VanDerWaalsContact O-O 3.07Å; A590-C592 VanDerWaalsContact C-N 3.31Å; A590-C592 PolarHBondContact O-N 2.92Å
591	N	75.7	Confident	78.4	Confident	78 Å²	78	67.8 Å²	67.8	42%	0.417	38%	0.375	S	S	.	.			trans	54.8	37.6	171.4	-61.5	-19.9	0	0	0	115.6	L564 S593 H629	L564-N591 HydrophobicContact CD1-CB 4.01Å; L564-N591 WeakPolarHBondContact CD1-ND2 2.85Å; L564-N591 HydrophobicContact CG-CB 4.21Å; N591-S593 PolarHBondContact O-N 2.89Å; N591-H629 VanDerWaalsContact CA-CG 3.44Å; N591-H629 HydrophobicContact CB-CB 4.23Å; N591-H629 WeakPolarHBondContact O-CB 3.35Å; N591-H629 PolarHBondContact OD1-CE1 3.34Å; N591-H629 PolarHBondContact OD1-ND1 2.8Å
592	C	70.9	Confident	78.3	Confident	40 Å²	40	63.6 Å²	63.6	27%	0.27	36%	0.361	S	S	.	.			trans	-64.3	121.3	174.2	-76.1	0	0	0	0	112.3	C563 I589 A590 R594 H629	C563-C592 HydrophobicContact CB-CB 3.99Å; C563-C592 WeakPolarHBondContact CB-SG 3.35Å; C563-C592 WeakPolarHBondContact SG-CA 3.35Å; C563-C592 WeakPolarHBondContact SG-CB 3.35Å; C563-C592 CovalentContact SG-SG 2.03Å; C563-C592 PolarHBondContact SG-SG 2.9Å; I589-C592 WeakPolarHBondContact CG2-SG 3.12Å; A590-C592 VanDerWaalsContact C-N 3.31Å; A590-C592 PolarHBondContact O-N 2.92Å; C592-R594 PolarHBondContact O-N 2.81Å; C592-R594 VanDerWaalsContact O-N 3.16Å; C592-H629 PolarHBondContact O-CD2 3.42Å
593	S	69.5	Low	78.3	Confident	11 Å²	11	67.9 Å²	67.9	8%	0.077	39%	0.391	C	S	.	.			trans	-68.8	112.7	170.8	72.9	0	0	0	0	109.2	G561 S562 N591 R628 H629	G561-S593 WeakPolarHBondContact CA-O 3.36Å; S562-S593 WeakPolarHBondContact CA-OG 3.31Å; S562-S593 PolarHBondContact N-OG 3.12Å; S562-S593 WeakPolarHBondContact O-CB 3.3Å; S562-S593 PolarHBondContact O-N 3.22Å; S562-S593 PolarHBondContact O-OG 3.16Å; S562-S593 WeakPolarHBondContact OG-CB 3.42Å; S562-S593 PolarHBondContact OG-OG 2.99Å; N591-S593 PolarHBondContact O-N 2.89Å; S593-R628 VanDerWaalsContact CA-O 3.31Å; S593-R628 WeakPolarHBondContact CA-O 3.32Å; S593-H629 VanDerWaalsContact CB-O 3.3Å; S593-H629 WeakPolarHBondContact CB-O 3.09Å
594	R	65.3	Low	78.4	Confident	123 Å²	123	62.2 Å²	62.2	46%	0.464	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-101.5	112.4	174.5	-164.1	175.5	-168	-150	0.9	106.2	C592 P625 P627 R628	C592-R594 PolarHBondContact O-N 2.81Å; C592-R594 VanDerWaalsContact O-N 3.16Å; R594-P625 HydrophobicContact CG-CB 4.17Å; R594-P625 HydrophobicContact CG-CG 4.06Å; R594-P625 VanDerWaalsContact NH2-CB 3.28Å; R594-P625 VanDerWaalsContact NH2-CG 3.29Å; R594-P627 VanDerWaalsContact O-CA 3.29Å; R594-P627 WeakPolarHBondContact O-CA 3.45Å; R594-R628 HydrophobicContact CB-CB 4.46Å; R594-R628 PolarHBondContact N-O 3.43Å; R594-R628 PolarHBondContact O-N 3.4Å
595	N	71.1	Confident	78.3	Confident	67 Å²	67	61.6 Å²	61.6	36%	0.358	35%	0.35	S	S	.	.			trans	-61.8	139.9	174.7	-69.2	-34	0	0	0	109.4	G597 R632	N595-G597 PolarHBondContact O-N 3.07Å; N595-R632 PolarHBondContact OD1-N 2.84Å
596	G	68.5	Low	78.2	Confident	18 Å²	18	63.1 Å²	63.1	19%	0.186	36%	0.359	C	S	.	.			trans	-63.4	129.7	175.4	0	0	0	0	0	111.1	C622 P625 R632 C634	G596-C622 VanDerWaalsContact CA-SG 3.53Å; G596-P625 WeakPolarHBondContact CA-O 3.3Å; G596-R632 PolarHBondContact N-O 3.48Å; G596-C634 PolarHBondContact O-SG 2.9Å; G596-C634 VanDerWaalsContact O-SG 3.4Å
597	G	76.5	Confident	78.1	Confident	17 Å²	17	62.8 Å²	62.8	18%	0.175	35%	0.351	C	S	.	.			trans	-109.5	134.6	169.1	0	0	0	0	0	109.7	N595 T599 S623 N624 P625	N595-G597 PolarHBondContact O-N 3.07Å; G597-T599 PolarHBondContact O-N 3.01Å; G597-S623 PolarHBondContact O-N 2.72Å; G597-N624 CarbonylContact C-O 3.54Å; G597-N624 WeakPolarHBondContact CA-O 3.3Å; G597-N624 CarbonylContact O-C 3.6Å; G597-N624 PolarHBondContact O-N 2.92Å; G597-P625 PolarHBondContact N-O 3.23Å
598	W	81.1	Confident	77.5	Confident	64 Å²	64	60.2 Å²	60.2	24%	0.242	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-64	133.5	171.3	-72.1	118	0	0	0	109.6	R620 C622 C634 V635 G636 N638	W598-R620 HydrophobicContact CD2-CG 3.96Å; W598-R620 VanDerWaalsContact CD2-NE 3.33Å; W598-R620 VanDerWaalsContact CE2-CZ 3.42Å; W598-R620 HydrophobicContact CE3-CB 3.93Å; W598-R620 HydrophobicContact CE3-CG 3.34Å; W598-R620 HydrophobicContact CH2-CG 4.47Å; W598-R620 HydrophobicContact CZ3-CB 4.47Å; W598-R620 HydrophobicContact CZ3-CG 3.64Å; W598-R620 WeakPolarHBondContact CZ3-O 3.22Å; W598-C622 HydrophobicContact CE3-CB 4.5Å; W598-C622 HydrophobicContact CZ3-CB 4.39Å; W598-C634 HydrophobicContact CD2-CB 3.71Å; W598-C634 HydrophobicContact CE3-CB 4.13Å; W598-C634 HydrophobicContact CG-CB 4.29Å; W598-C634 HydrophobicContact CH2-CB 3.9Å; W598-C634 HydrophobicContact CZ2-CB 3.44Å; W598-C634 VanDerWaalsContact CZ2-CB 3.44Å; W598-C634 HydrophobicContact CZ3-CB 4.22Å; W598-V635 PolarHBondContact NE1-O 3.25Å; W598-G636 VanDerWaalsContact CZ2-O 3.28Å; W598-G636 WeakPolarHBondContact CZ2-O 3.42Å; W598-N638 HydrophobicContact CH2-CB 3.73Å; W598-N638 HydrophobicContact CZ3-CB 3.73Å
599	T	80	Confident	76.2	Confident	31 Å²	31	58.9 Å²	58.9	19%	0.19	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-58	158.3	158.4	58.4	0	0	0	0	109.4	G597 W601 R620 S621 S623 N624	G597-T599 PolarHBondContact O-N 3.01Å; T599-W601 PolarHBondContact O-N 3.32Å; T599-R620 WeakPolarHBondContact OG1-CA 3.43Å; T599-S621 WeakPolarHBondContact CG2-O 3.11Å; T599-S621 VanDerWaalsContact CG2-OG 3.28Å; T599-S621 WeakPolarHBondContact CG2-OG 3.41Å; T599-S621 PolarHBondContact N-O 3.13Å; T599-S621 PolarHBondContact OG1-N 3.46Å; T599-S621 PolarHBondContact OG1-O 2.97Å; T599-S623 VanDerWaalsContact CG2-OG 3.22Å; T599-S623 WeakPolarHBondContact CG2-OG 3.25Å; T599-N624 HydrophobicContact CG2-CB 3.8Å
600	P	82.6	Confident	75.4	Confident	103 Å²	103	61.6 Å²	61.6	67%	0.669	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-47.2	142.6	158	-22.9	33.1	0	0	0	109.3	T602	P600-T602 PolarHBondContact O-N 3.1Å
601	W	83.1	Confident	74.6	Confident	74 Å²	74	60.7 Å²	60.7	28%	0.28	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-55.5	137.7	170.4	-75	105	0	0	0	109.2	T599 R618 R620 E640	T599-W601 PolarHBondContact O-N 3.32Å; W601-R618 HydrophobicContact CD2-CG 4.14Å; W601-R618 HydrophobicContact CE3-CB 4.02Å; W601-R618 HydrophobicContact CE3-CG 3.48Å; W601-R618 VanDerWaalsContact CE3-CG 3.48Å; W601-R618 HydrophobicContact CZ3-CG 3.78Å; W601-R618 WeakPolarHBondContact CZ3-O 3.49Å; W601-R620 HydrophobicContact CD2-CB 4.17Å; W601-R620 HydrophobicContact CD2-CG 3.96Å; W601-R620 VanDerWaalsContact CE2-CD 3.49Å; W601-R620 HydrophobicContact CE3-CB 3.93Å; W601-R620 HydrophobicContact CE3-CG 3.67Å; W601-R620 HydrophobicContact CH2-CG 3.81Å; W601-R620 HydrophobicContact CZ2-CG 4.09Å; W601-R620 HydrophobicContact CZ3-CB 4.32Å; W601-R620 HydrophobicContact CZ3-CG 3.6Å; W601-E640 HydrophobicContact CH2-CB 3.71Å; W601-E640 HydrophobicContact CZ2-CB 4.48Å; W601-E640 WeakPolarHBondContact CZ2-OE2 3.42Å; W601-E640 HydrophobicContact CZ3-CB 3.93Å
602	T	82.5	Confident	74	Confident	73 Å²	73	57.9 Å²	57.9	45%	0.448	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-57.1	154.2	164.4	63.5	0	0	0	0	109	P600 W604 Q619	P600-T602 PolarHBondContact O-N 3.1Å; T602-W604 PolarHBondContact O-N 2.9Å; T602-Q619 WeakPolarHBondContact CG2-O 3.49Å; T602-Q619 PolarHBondContact N-O 3.08Å; T602-Q619 PolarHBondContact OG1-N 3.15Å; T602-Q619 PolarHBondContact OG1-O 3.35Å
603	S	82.6	Confident	73.8	Confident	111 Å²	111	61.6 Å²	61.6	78%	0.776	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-50.2	144.7	159.8	-57	0	0	0	0	109.2	S605	S603-S605 PolarHBondContact O-N 2.81Å
604	W	82.8	Confident	73.9	Confident	63 Å²	63	61.1 Å²	61.1	24%	0.239	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-52.9	132.3	173.2	-74.8	102.4	0	0	0	109.4	T602 Q616 R618 E640 R642	T602-W604 PolarHBondContact O-N 2.9Å; W604-Q616 HydrophobicContact CB-CB 4.46Å; W604-Q616 HydrophobicContact CD2-CB 4.48Å; W604-Q616 HydrophobicContact CE3-CB 3.72Å; W604-Q616 HydrophobicContact CZ3-CB 4.39Å; W604-Q616 VanDerWaalsContact CZ3-O 3.29Å; W604-Q616 WeakPolarHBondContact CZ3-O 3.5Å; W604-R618 HydrophobicContact CD2-CB 4.08Å; W604-R618 HydrophobicContact CD2-CG 4.04Å; W604-R618 HydrophobicContact CE3-CB 3.91Å; W604-R618 HydrophobicContact CE3-CG 3.84Å; W604-R618 HydrophobicContact CH2-CG 3.77Å; W604-R618 HydrophobicContact CZ2-CG 3.95Å; W604-R618 HydrophobicContact CZ3-CB 4.24Å; W604-R618 HydrophobicContact CZ3-CG 3.7Å; W604-E640 HydrophobicContact CH2-CB 4.33Å; W604-E640 HydrophobicContact CH2-CG 4Å; W604-R642 HydrophobicContact CD2-CG 4.38Å; W604-R642 HydrophobicContact CE3-CG 3.88Å; W604-R642 HydrophobicContact CH2-CB 3.88Å; W604-R642 HydrophobicContact CH2-CG 3.73Å; W604-R642 HydrophobicContact CZ2-CG 4.24Å; W604-R642 HydrophobicContact CZ3-CB 4.02Å; W604-R642 HydrophobicContact CZ3-CG 3.53Å
605	S	80.3	Confident	74.6	Confident	37 Å²	37	59.5 Å²	59.5	26%	0.259	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-56.7	155.8	171.7	74.2	0	0	0	0	109.6	S603 Q616 V617	S603-S605 PolarHBondContact O-N 2.81Å; S605-Q616 WeakPolarHBondContact O-CG 3.49Å; S605-V617 VanDerWaalsContact CB-O 3.26Å; S605-V617 WeakPolarHBondContact CB-O 3.47Å; S605-V617 PolarHBondContact N-O 3.08Å; S605-V617 PolarHBondContact OG-N 3.3Å; S605-V617 PolarHBondContact OG-O 2.89Å
606	P	78.2	Confident	75.2	Confident	116 Å²	116	58 Å²	58	75%	0.753	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-48.7	153	157.2	-21.6	32.5	0	0	0	110	S608	P606-S608 PolarHBondContact O-N 2.87Å
607	C	81	Confident	75.9	Confident	26 Å²	26	57.9 Å²	57.9	18%	0.176	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-56.6	130.7	177.3	-166.9	0	0	0	0	109.4	T609 Q616 C644 N645	C607-T609 PolarHBondContact O-N 2.78Å; C607-T609 PolarHBondContact SG-O 3.44Å; C607-T609 VanDerWaalsContact SG-O 3.33Å; C607-Q616 HydrophobicContact CB-CG 4.27Å; C607-C644 WeakPolarHBondContact CA-SG 2.93Å; C607-C644 HydrophobicContact CB-CB 3.93Å; C607-C644 WeakPolarHBondContact CB-SG 3.41Å; C607-C644 WeakPolarHBondContact SG-CB 3.42Å; C607-C644 CovalentContact SG-SG 2.02Å; C607-C644 PolarHBondContact SG-SG 2.81Å; C607-N645 PolarHBondContact SG-ND2 3.03Å
608	S	71.3	Confident	76.4	Confident	47 Å²	47	59.9 Å²	59.9	33%	0.329	34%	0.339	S	S	.	.	S	Bend	trans	-57.5	-20.2	-175.5	64.6	0	0	0	0	113.7	P606 G614 F615	P606-S608 PolarHBondContact O-N 2.87Å; S608-G614 WeakPolarHBondContact OG-CA 3.44Å; S608-F615 WeakPolarHBondContact CB-O 3.44Å; S608-F615 PolarHBondContact N-O 3.16Å; S608-F615 WeakPolarHBondContact OG-CD1 3.18Å; S608-F615 WeakPolarHBondContact OG-CE1 3.23Å; S608-F615 WeakPolarHBondContact OG-CG 3.34Å; S608-F615 PolarHBondContact OG-N 3.22Å; S608-F615 PolarHBondContact OG-O 3.37Å
609	T	58.6	Low	76.6	Confident	41 Å²	41	62 Å²	62	25%	0.252	35%	0.352	S	S	.	.			trans	-131.6	136.2	175.8	61.8	0	0	0	0	108.1	C607 C611 G612 G614 N645	C607-T609 PolarHBondContact O-N 2.78Å; C607-T609 PolarHBondContact SG-O 3.44Å; C607-T609 VanDerWaalsContact SG-O 3.33Å; T609-C611 WeakPolarHBondContact CB-O 3.34Å; T609-C611 PolarHBondContact O-N 2.83Å; T609-C611 PolarHBondContact OG1-O 2.89Å; T609-G612 PolarHBondContact OG1-O 2.86Å; T609-G614 WeakPolarHBondContact OG1-CA 3.42Å; T609-G614 PolarHBondContact OG1-N 2.54Å; T609-N645 PolarHBondContact O-ND2 2.79Å
610	T	65.1	Low	76.9	Confident	125 Å²	125	62.7 Å²	62.7	77%	0.767	35%	0.351	S	S	*	.	S	Bend	trans	-73.4	-0.4	174.3	46.3	0	0	0	0	112.5	L648	T610-L648 WeakPolarHBondContact O-CD2 2.88Å
611	C	60.9	Low	76.9	Confident	10 Å²	10	60.6 Å²	60.6	7%	0.068	34%	0.339	C	S	.	.	S	Bend	trans	-167.5	163.2	-168.2	46.9	0	0	0	0	107.8	T609 L649 C650 P651	T609-C611 WeakPolarHBondContact CB-O 3.34Å; T609-C611 PolarHBondContact O-N 2.83Å; T609-C611 PolarHBondContact OG1-O 2.89Å; C611-L649 WeakPolarHBondContact CB-O 3.37Å; C611-C650 WeakPolarHBondContact CA-SG 3.48Å; C611-C650 VanDerWaalsContact CB-CA 3.43Å; C611-C650 HydrophobicContact CB-CB 3.73Å; C611-C650 WeakPolarHBondContact CB-SG 3.4Å; C611-C650 PolarHBondContact O-SG 3.35Å; C611-C650 WeakPolarHBondContact SG-CA 2.91Å; C611-C650 WeakPolarHBondContact SG-CB 3.16Å; C611-C650 CovalentContact SG-SG 2.03Å; C611-C650 PolarHBondContact SG-SG 3.39Å; C611-P651 WeakPolarHBondContact SG-CD 3.36Å
612	G	61.3	Low	76.7	Confident	19 Å²	19	58.7 Å²	58.7	20%	0.196	34%	0.336	C	S	.	.	S	Bend	trans	65.4	171.5	-173	0	0	0	0	0	113.5	T609 G614 N645 L648	T609-G612 PolarHBondContact OG1-O 2.86Å; G612-G614 PolarHBondContact O-N 2.79Å; G612-N645 CarbonylContact C-O 3.58Å; G612-N645 WeakPolarHBondContact O-CB 3.45Å; G612-L648 WeakPolarHBondContact CA-O 3.3Å; G612-L648 PolarHBondContact N-O 2.72Å
613	I	68.3	Low	76.4	Confident	117 Å²	117	57.7 Å²	57.7	60%	0.6	33%	0.333	S	S	*	.	S	Bend	trans	-62.1	107.7	170.2	-56.8	171.6	0	0	0	107.9	Y643	I613-Y643 HydrophobicContact CG2-CD1 3.78Å; I613-Y643 HydrophobicContact CG2-CE1 4.43Å
614	G	71.3	Confident	75.7	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	170.6	172.7	0	0	0	0	0	111.3	S608 T609 G612 Y643 C644	S608-G614 WeakPolarHBondContact OG-CA 3.44Å; T609-G614 WeakPolarHBondContact OG1-CA 3.42Å; T609-G614 PolarHBondContact OG1-N 2.54Å; G612-G614 PolarHBondContact O-N 2.79Å; G614-Y643 WeakPolarHBondContact O-CA 3.34Å; G614-C644 CarbonylContact C-O 3.54Å; G614-C644 PolarHBondContact N-O 3.08Å; G614-C644 PolarHBondContact O-N 3.44Å; G614-C644 VanDerWaalsContact O-O 3.08Å; G614-C644 PolarHBondContact O-SG 3.25Å; G614-C644 VanDerWaalsContact O-SG 3.4Å
615	F	79.4	Confident	75.2	Confident	89 Å²	89	55.8 Å²	55.8	39%	0.39	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.6	173.3	50.8	-91.4	0	0	0	108.3	S608 V617 R642 C644	S608-F615 WeakPolarHBondContact CB-O 3.44Å; S608-F615 PolarHBondContact N-O 3.16Å; S608-F615 WeakPolarHBondContact OG-CD1 3.18Å; S608-F615 WeakPolarHBondContact OG-CE1 3.23Å; S608-F615 WeakPolarHBondContact OG-CG 3.34Å; S608-F615 PolarHBondContact OG-N 3.22Å; S608-F615 PolarHBondContact OG-O 3.37Å; F615-V617 HydrophobicContact CD2-CG2 3.5Å; F615-V617 VanDerWaalsContact CD2-CG2 3.5Å; F615-V617 HydrophobicContact CE2-CG2 3.89Å; F615-R642 CarbonylContact C-O 3.49Å; F615-R642 WeakPolarHBondContact CA-O 3.41Å; F615-C644 VanDerWaalsContact C-SG 3.53Å; F615-C644 PolarHBondContact N-SG 2.88Å
616	Q	83.4	Confident	74.7	Confident	36 Å²	36	56.7 Å²	56.7	17%	0.168	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.3	161.4	-68.6	-178.9	-15.1	0	0	107.4	W604 S605 C607 E641 R642 C644	W604-Q616 HydrophobicContact CB-CB 4.46Å; W604-Q616 HydrophobicContact CD2-CB 4.48Å; W604-Q616 HydrophobicContact CE3-CB 3.72Å; W604-Q616 HydrophobicContact CZ3-CB 4.39Å; W604-Q616 VanDerWaalsContact CZ3-O 3.29Å; W604-Q616 WeakPolarHBondContact CZ3-O 3.5Å; S605-Q616 WeakPolarHBondContact O-CG 3.49Å; C607-Q616 HydrophobicContact CB-CG 4.27Å; Q616-E641 WeakPolarHBondContact O-CA 3.03Å; Q616-R642 HydrophobicContact CB-CG 3.94Å; Q616-R642 PolarHBondContact N-O 3.09Å; Q616-R642 PolarHBondContact O-N 3.27Å; Q616-R642 VanDerWaalsContact O-N 3.08Å; Q616-C644 HydrophobicContact CG-CB 4.06Å
617	V	83.1	Confident	74.4	Confident	16 Å²	16	53.4 Å²	53.4	10%	0.097	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.1	177.2	-169.3	0	0	0	0	107.7	S605 F615 Q619 R639 E640	S605-V617 VanDerWaalsContact CB-O 3.26Å; S605-V617 WeakPolarHBondContact CB-O 3.47Å; S605-V617 PolarHBondContact N-O 3.08Å; S605-V617 PolarHBondContact OG-N 3.3Å; S605-V617 PolarHBondContact OG-O 2.89Å; F615-V617 HydrophobicContact CD2-CG2 3.5Å; F615-V617 VanDerWaalsContact CD2-CG2 3.5Å; F615-V617 HydrophobicContact CE2-CG2 3.89Å; V617-Q619 HydrophobicContact CG1-CG 3.82Å; V617-R639 HydrophobicContact CG1-CG 3.48Å; V617-R639 VanDerWaalsContact CG1-CG 3.48Å; V617-E640 WeakPolarHBondContact CA-O 3.22Å
618	R	87.1	Confident	73.8	Confident	58 Å²	58	59.1 Å²	59.1	22%	0.219	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.4	156.8	61.8	174.8	-176.6	-170.4	-5.4	108.6	W601 W604 E640	W601-R618 HydrophobicContact CD2-CG 4.14Å; W601-R618 HydrophobicContact CE3-CB 4.02Å; W601-R618 HydrophobicContact CE3-CG 3.48Å; W601-R618 VanDerWaalsContact CE3-CG 3.48Å; W601-R618 HydrophobicContact CZ3-CG 3.78Å; W601-R618 WeakPolarHBondContact CZ3-O 3.49Å; W604-R618 HydrophobicContact CD2-CB 4.08Å; W604-R618 HydrophobicContact CD2-CG 4.04Å; W604-R618 HydrophobicContact CE3-CB 3.91Å; W604-R618 HydrophobicContact CE3-CG 3.84Å; W604-R618 HydrophobicContact CH2-CG 3.77Å; W604-R618 HydrophobicContact CZ2-CG 3.95Å; W604-R618 HydrophobicContact CZ3-CB 4.24Å; W604-R618 HydrophobicContact CZ3-CG 3.7Å; R618-E640 HydrophobicContact CG-CB 3.94Å; R618-E640 IonicContact CZ-OE1 2.75Å; R618-E640 IonicContact CZ-OE2 3.96Å; R618-E640 PolarHBondContact N-O 3.43Å; R618-E640 VanDerWaalsContact N-O 3.09Å; R618-E640 IonicContact NE-OE1 2.8Å; R618-E640 IonicContact NE-OE2 2.7Å; R618-E640 PolarHBondContact NE-OE2 3Å; R618-E640 IonicContact NH2-OE1 2.79Å; R618-E640 PolarHBondContact NH2-OE1 3.01Å; R618-E640 IonicContact NH2-OE2 2.97Å; R618-E640 PolarHBondContact NH2-OE2 2.63Å; R618-E640 PolarHBondContact O-N 3.1Å
619	Q	86.5	Confident	73.6	Confident	108 Å²	108	61.3 Å²	61.3	51%	0.505	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.4	-179.2	-59.3	-174.5	-5	0	0	109.1	T602 V617 N638	T602-Q619 WeakPolarHBondContact CG2-O 3.49Å; T602-Q619 PolarHBondContact N-O 3.08Å; T602-Q619 PolarHBondContact OG1-N 3.15Å; T602-Q619 PolarHBondContact OG1-O 3.35Å; V617-Q619 HydrophobicContact CG1-CG 3.82Å; Q619-N638 WeakPolarHBondContact CA-O 3.23Å
620	R	85.6	Confident	73.9	Confident	46 Å²	46	63.1 Å²	63.1	17%	0.174	35%	0.352	C	S	.	.			trans	-138.6	137.5	166.8	51.5	176.4	-176.2	-175.9	-2.5	106.7	W598 T599 W601 Q637 N638	W598-R620 HydrophobicContact CD2-CG 3.96Å; W598-R620 VanDerWaalsContact CD2-NE 3.33Å; W598-R620 VanDerWaalsContact CE2-CZ 3.42Å; W598-R620 HydrophobicContact CE3-CB 3.93Å; W598-R620 HydrophobicContact CE3-CG 3.34Å; W598-R620 HydrophobicContact CH2-CG 4.47Å; W598-R620 HydrophobicContact CZ3-CB 4.47Å; W598-R620 HydrophobicContact CZ3-CG 3.64Å; W598-R620 WeakPolarHBondContact CZ3-O 3.22Å; T599-R620 WeakPolarHBondContact OG1-CA 3.43Å; W601-R620 HydrophobicContact CD2-CB 4.17Å; W601-R620 HydrophobicContact CD2-CG 3.96Å; W601-R620 VanDerWaalsContact CE2-CD 3.49Å; W601-R620 HydrophobicContact CE3-CB 3.93Å; W601-R620 HydrophobicContact CE3-CG 3.67Å; W601-R620 HydrophobicContact CH2-CG 3.81Å; W601-R620 HydrophobicContact CZ2-CG 4.09Å; W601-R620 HydrophobicContact CZ3-CB 4.32Å; W601-R620 HydrophobicContact CZ3-CG 3.6Å; R620-Q637 VanDerWaalsContact CZ-O 3.27Å; R620-Q637 PolarHBondContact NE-O 2.65Å; R620-Q637 PolarHBondContact NH2-O 3.07Å; R620-N638 PolarHBondContact N-O 3.5Å
621	S	81.7	Confident	74	Confident	60 Å²	60	57.6 Å²	57.6	42%	0.42	32%	0.32	S	S	.	.			trans	-97.3	144.1	175	46.4	0	0	0	0	109.1	T599 S623	T599-S621 WeakPolarHBondContact CG2-O 3.11Å; T599-S621 VanDerWaalsContact CG2-OG 3.28Å; T599-S621 WeakPolarHBondContact CG2-OG 3.41Å; T599-S621 PolarHBondContact N-O 3.13Å; T599-S621 PolarHBondContact OG1-N 3.46Å; T599-S621 PolarHBondContact OG1-O 2.97Å; S621-S623 WeakPolarHBondContact CB-OG 3.29Å; S621-S623 PolarHBondContact O-N 2.83Å; S621-S623 PolarHBondContact OG-OG 2.81Å
622	C	79.2	Confident	74.4	Confident	33 Å²	33	66.7 Å²	66.7	22%	0.223	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-77.2	64.2	169.1	-166.9	0	0	0	0	108.2	G596 W598 P625 T626 P627 C634	G596-C622 VanDerWaalsContact CA-SG 3.53Å; W598-C622 HydrophobicContact CE3-CB 4.5Å; W598-C622 HydrophobicContact CZ3-CB 4.39Å; C622-P625 CarbonylContact C-O 3.58Å; C622-T626 WeakPolarHBondContact O-CA 3.27Å; C622-P627 VanDerWaalsContact O-CD 3.29Å; C622-P627 WeakPolarHBondContact O-CD 3.41Å; C622-P627 VanDerWaalsContact SG-CG 3.53Å; C622-C634 VanDerWaalsContact CA-SG 3.52Å; C622-C634 HydrophobicContact CB-CB 3.82Å; C622-C634 WeakPolarHBondContact CB-SG 3.29Å; C622-C634 WeakPolarHBondContact SG-CB 3.37Å; C622-C634 PolarHBondContact SG-N 2.83Å; C622-C634 VanDerWaalsContact SG-N 3.37Å; C622-C634 CovalentContact SG-SG 2.04Å; C622-C634 PolarHBondContact SG-SG 3.01Å
623	S	75.7	Confident	74.8	Confident	53 Å²	53	71 Å²	71	37%	0.371	38%	0.376	S	S	.	.			trans	-132.4	9.3	-171.7	67.9	0	0	0	0	114.2	G597 T599 S621 P625	G597-S623 PolarHBondContact O-N 2.72Å; T599-S623 VanDerWaalsContact CG2-OG 3.22Å; T599-S623 WeakPolarHBondContact CG2-OG 3.25Å; S621-S623 WeakPolarHBondContact CB-OG 3.29Å; S621-S623 PolarHBondContact O-N 2.83Å; S621-S623 PolarHBondContact OG-OG 2.81Å; S623-P625 CarbonylContact C-O 3.54Å; S623-P625 PolarHBondContact N-O 3.19Å
624	N	69.9	Low	75.2	Confident	98 Å²	98	66.5 Å²	66.5	52%	0.524	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	61.2	-179.6	-170.4	43.1	0	0	0	113.2	G597 T599	G597-N624 CarbonylContact C-O 3.54Å; G597-N624 WeakPolarHBondContact CA-O 3.3Å; G597-N624 CarbonylContact O-C 3.6Å; G597-N624 PolarHBondContact O-N 2.92Å; T599-N624 HydrophobicContact CG2-CB 3.8Å
625	P	70.4	Confident	75.4	Confident	35 Å²	35	72.9 Å²	72.9	23%	0.227	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	cis	-45.1	142.8	-10.3	44.6	-25.3	0	0	0	127.1	R594 G596 G597 C622 S623	R594-P625 HydrophobicContact CG-CB 4.17Å; R594-P625 HydrophobicContact CG-CG 4.06Å; R594-P625 VanDerWaalsContact NH2-CB 3.28Å; R594-P625 VanDerWaalsContact NH2-CG 3.29Å; G596-P625 WeakPolarHBondContact CA-O 3.3Å; G597-P625 PolarHBondContact N-O 3.23Å; C622-P625 CarbonylContact C-O 3.58Å; S623-P625 CarbonylContact C-O 3.54Å; S623-P625 PolarHBondContact N-O 3.19Å
626	T	70.8	Confident	75.3	Confident	57 Å²	57	71 Å²	71	35%	0.35	40%	0.399	S	S	.	.			trans	-75.1	130.6	148.8	49.9	0	0	0	0	110.7	C622 R628	C622-T626 WeakPolarHBondContact O-CA 3.27Å; T626-R628 PolarHBondContact O-N 3.38Å
627	P	70.9	Confident	75.1	Confident	46 Å²	46	75.8 Å²	75.8	30%	0.299	42%	0.421	S	S	.	.			trans	-56.8	135.8	173.7	-19.8	27.4	0	0	0	112.2	R594 C622	R594-P627 VanDerWaalsContact O-CA 3.29Å; R594-P627 WeakPolarHBondContact O-CA 3.45Å; C622-P627 VanDerWaalsContact O-CD 3.29Å; C622-P627 WeakPolarHBondContact O-CD 3.41Å; C622-P627 VanDerWaalsContact SG-CG 3.53Å
628	R	70.1	Confident	75	Confident	146 Å²	146	80 Å²	80	55%	0.551	44%	0.443	S	S	*	.	B	Isolated β-bridge	trans	-141.4	152.5	174.9	-141.6	-176.1	-69.7	-150.6	-0.4	110	S593 R594 T626 G630 G631	S593-R628 VanDerWaalsContact CA-O 3.31Å; S593-R628 WeakPolarHBondContact CA-O 3.32Å; R594-R628 HydrophobicContact CB-CB 4.46Å; R594-R628 PolarHBondContact N-O 3.43Å; R594-R628 PolarHBondContact O-N 3.4Å; T626-R628 PolarHBondContact O-N 3.38Å; R628-G630 VanDerWaalsContact C-N 3.34Å; R628-G630 PolarHBondContact O-N 2.91Å; R628-G631 PolarHBondContact O-N 3.26Å
629	H	66.4	Low	74.9	Confident	94 Å²	94	82.1 Å²	82.1	44%	0.435	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	46.1	172.8	-51.1	-75.4	0	0	0	115.3	N591 C592 S593	N591-H629 VanDerWaalsContact CA-CG 3.44Å; N591-H629 HydrophobicContact CB-CB 4.23Å; N591-H629 WeakPolarHBondContact O-CB 3.35Å; N591-H629 PolarHBondContact OD1-CE1 3.34Å; N591-H629 PolarHBondContact OD1-ND1 2.8Å; C592-H629 PolarHBondContact O-CD2 3.42Å; S593-H629 VanDerWaalsContact CB-O 3.3Å; S593-H629 WeakPolarHBondContact CB-O 3.09Å
630	G	65.2	Low	74.8	Confident	78 Å²	78	79.9 Å²	79.9	80%	0.804	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	9	177.8	0	0	0	0	0	115.8	R628	R628-G630 VanDerWaalsContact C-N 3.34Å; R628-G630 PolarHBondContact O-N 2.91Å
631	G	66.2	Low	74.6	Confident	9 Å²	9	82.7 Å²	82.7	9%	0.093	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-59.4	146.2	172.4	0	0	0	0	0	112.3	R628 V633	R628-G631 PolarHBondContact O-N 3.26Å; G631-V633 PolarHBondContact O-N 3.34Å
632	R	69	Low	74.6	Confident	201 Å²	201	85.2 Å²	85.2	76%	0.758	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-56.9	128.3	-178.7	-75.4	-176.4	-178.2	164.5	1.7	110.2	N595 G596	N595-R632 PolarHBondContact OD1-N 2.84Å; G596-R632 PolarHBondContact N-O 3.48Å
633	V	71.4	Confident	74.6	Confident	111 Å²	111	92 Å²	92	67%	0.673	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-62.5	145	169.5	-135.8	0	0	0	0	108.5	G631 V635	G631-V633 PolarHBondContact O-N 3.34Å; V633-V635 PolarHBondContact O-N 3.34Å
634	C	76.7	Confident	74.5	Confident	21 Å²	21	90.2 Å²	90.2	14%	0.142	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-59.7	122.5	177	-58.7	0	0	0	0	110	G596 W598 C622	G596-C634 PolarHBondContact O-SG 2.9Å; G596-C634 VanDerWaalsContact O-SG 3.4Å; W598-C634 HydrophobicContact CD2-CB 3.71Å; W598-C634 HydrophobicContact CE3-CB 4.13Å; W598-C634 HydrophobicContact CG-CB 4.29Å; W598-C634 HydrophobicContact CH2-CB 3.9Å; W598-C634 HydrophobicContact CZ2-CB 3.44Å; W598-C634 VanDerWaalsContact CZ2-CB 3.44Å; W598-C634 HydrophobicContact CZ3-CB 4.22Å; C622-C634 VanDerWaalsContact CA-SG 3.52Å; C622-C634 HydrophobicContact CB-CB 3.82Å; C622-C634 WeakPolarHBondContact CB-SG 3.29Å; C622-C634 WeakPolarHBondContact SG-CB 3.37Å; C622-C634 PolarHBondContact SG-N 2.83Å; C622-C634 VanDerWaalsContact SG-N 3.37Å; C622-C634 CovalentContact SG-SG 2.04Å; C622-C634 PolarHBondContact SG-SG 3.01Å
635	V	75.4	Confident	74.3	Confident	136 Å²	136	88.2 Å²	88.2	82%	0.824	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-85.9	128.9	176.9	-175.5	0	0	0	0	108.8	W598 V633	W598-V635 PolarHBondContact NE1-O 3.25Å; V633-V635 PolarHBondContact O-N 3.34Å
636	G	76.6	Confident	73.8	Confident	50 Å²	50	92.3 Å²	92.3	52%	0.515	47%	0.471	S	S	.	.	S	Bend	trans	124.7	168.8	-178.4	0	0	0	0	0	112.8	W598 N638	W598-G636 VanDerWaalsContact CZ2-O 3.28Å; W598-G636 WeakPolarHBondContact CZ2-O 3.42Å; G636-N638 PolarHBondContact O-N 3.25Å
637	Q	79.2	Confident	73.2	Confident	136 Å²	136	98.1 Å²	98.1	64%	0.636	49%	0.493	S	S	*	.			trans	-70.3	132.2	179.7	-62	179	-5	0	0	110.3	R620 R639	R620-Q637 VanDerWaalsContact CZ-O 3.27Å; R620-Q637 PolarHBondContact NE-O 2.65Å; R620-Q637 PolarHBondContact NH2-O 3.07Å; Q637-R639 VanDerWaalsContact C-N 3.26Å; Q637-R639 WeakPolarHBondContact CB-O 3.03Å
638	N	81.3	Confident	72.2	Confident	105 Å²	105	100.4 Å²	100.4	56%	0.561	50%	0.503	S	S	*	.	S	Bend	trans	-79.7	-12.9	172.6	58.6	-10.8	0	0	0	112.7	W598 Q619 R620 G636	W598-N638 HydrophobicContact CH2-CB 3.73Å; W598-N638 HydrophobicContact CZ3-CB 3.73Å; Q619-N638 WeakPolarHBondContact CA-O 3.23Å; R620-N638 PolarHBondContact N-O 3.5Å; G636-N638 PolarHBondContact O-N 3.25Å
639	R	83.9	Confident	71.1	Confident	102 Å²	102	101.7 Å²	101.7	39%	0.385	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.2	-176.9	-175.9	-179.5	178.5	-155.6	-5.9	107.4	V617 Q637 E641	V617-R639 HydrophobicContact CG1-CG 3.48Å; V617-R639 VanDerWaalsContact CG1-CG 3.48Å; Q637-R639 VanDerWaalsContact C-N 3.26Å; Q637-R639 WeakPolarHBondContact CB-O 3.03Å; R639-E641 HydrophobicContact CG-CG 4.49Å; R639-E641 IonicContact CZ-OE1 3.89Å; R639-E641 IonicContact NE-OE1 2.8Å; R639-E641 PolarHBondContact NE-OE1 3.14Å; R639-E641 VanDerWaalsContact NE-OE1 3.12Å; R639-E641 IonicContact NH1-OE1 2.72Å; R639-E641 PolarHBondContact NH1-OE1 3.09Å; R639-E641 VanDerWaalsContact NH1-OE1 3.12Å; R639-E641 IonicContact NH2-OE1 2.94Å; R639-E641 PolarHBondContact NH2-OE1 3.05Å
640	E	85.1	Confident	70.1	Confident	60 Å²	60	100.8 Å²	100.8	28%	0.28	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137	172.7	-168.9	178.9	159.8	0	0	108.5	W601 W604 V617 R618	W601-E640 HydrophobicContact CH2-CB 3.71Å; W601-E640 HydrophobicContact CZ2-CB 4.48Å; W601-E640 WeakPolarHBondContact CZ2-OE2 3.42Å; W601-E640 HydrophobicContact CZ3-CB 3.93Å; W604-E640 HydrophobicContact CH2-CB 4.33Å; W604-E640 HydrophobicContact CH2-CG 4Å; V617-E640 WeakPolarHBondContact CA-O 3.22Å; R618-E640 HydrophobicContact CG-CB 3.94Å; R618-E640 IonicContact CZ-OE1 2.75Å; R618-E640 IonicContact CZ-OE2 3.96Å; R618-E640 PolarHBondContact N-O 3.43Å; R618-E640 VanDerWaalsContact N-O 3.09Å; R618-E640 IonicContact NE-OE1 2.8Å; R618-E640 IonicContact NE-OE2 2.7Å; R618-E640 PolarHBondContact NE-OE2 3Å; R618-E640 IonicContact NH2-OE1 2.79Å; R618-E640 PolarHBondContact NH2-OE1 3.01Å; R618-E640 IonicContact NH2-OE2 2.97Å; R618-E640 PolarHBondContact NH2-OE2 2.63Å; R618-E640 PolarHBondContact O-N 3.1Å
641	E	80.8	Confident	69.2	Low	106 Å²	106	102 Å²	102	50%	0.495	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131	-177.7	-63.8	-179.9	-168.7	0	0	108.6	Q616 R639	Q616-E641 WeakPolarHBondContact O-CA 3.03Å; R639-E641 HydrophobicContact CG-CG 4.49Å; R639-E641 IonicContact CZ-OE1 3.89Å; R639-E641 IonicContact NE-OE1 2.8Å; R639-E641 PolarHBondContact NE-OE1 3.14Å; R639-E641 VanDerWaalsContact NE-OE1 3.12Å; R639-E641 IonicContact NH1-OE1 2.72Å; R639-E641 PolarHBondContact NH1-OE1 3.09Å; R639-E641 VanDerWaalsContact NH1-OE1 3.12Å; R639-E641 IonicContact NH2-OE1 2.94Å; R639-E641 PolarHBondContact NH2-OE1 3.05Å
642	R	81.8	Confident	68.4	Low	113 Å²	113	106.9 Å²	106.9	43%	0.426	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.1	168	70.8	-179.7	180	175.2	-0.6	109.7	W604 F615 Q616	W604-R642 HydrophobicContact CD2-CG 4.38Å; W604-R642 HydrophobicContact CE3-CG 3.88Å; W604-R642 HydrophobicContact CH2-CB 3.88Å; W604-R642 HydrophobicContact CH2-CG 3.73Å; W604-R642 HydrophobicContact CZ2-CG 4.24Å; W604-R642 HydrophobicContact CZ3-CB 4.02Å; W604-R642 HydrophobicContact CZ3-CG 3.53Å; F615-R642 CarbonylContact C-O 3.49Å; F615-R642 WeakPolarHBondContact CA-O 3.41Å; Q616-R642 HydrophobicContact CB-CG 3.94Å; Q616-R642 PolarHBondContact N-O 3.09Å; Q616-R642 PolarHBondContact O-N 3.27Å; Q616-R642 VanDerWaalsContact O-N 3.08Å
643	Y	79.9	Confident	67.4	Low	174 Å²	174	105.8 Å²	105.8	68%	0.682	55%	0.55	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-64.3	140.9	173.2	-59.7	-70.4	0	0	0	110.3	I613 G614	I613-Y643 HydrophobicContact CG2-CD1 3.78Å; I613-Y643 HydrophobicContact CG2-CE1 4.43Å; G614-Y643 WeakPolarHBondContact O-CA 3.34Å
644	C	74.1	Confident	66.5	Low	16 Å²	16	104.8 Å²	104.8	11%	0.108	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157.3	172	53.3	0	0	0	0	107.8	C607 G614 F615 Q616 E646	C607-C644 WeakPolarHBondContact CA-SG 2.93Å; C607-C644 HydrophobicContact CB-CB 3.93Å; C607-C644 WeakPolarHBondContact CB-SG 3.41Å; C607-C644 WeakPolarHBondContact SG-CB 3.42Å; C607-C644 CovalentContact SG-SG 2.02Å; C607-C644 PolarHBondContact SG-SG 2.81Å; G614-C644 CarbonylContact C-O 3.54Å; G614-C644 PolarHBondContact N-O 3.08Å; G614-C644 PolarHBondContact O-N 3.44Å; G614-C644 VanDerWaalsContact O-O 3.08Å; G614-C644 PolarHBondContact O-SG 3.25Å; G614-C644 VanDerWaalsContact O-SG 3.4Å; F615-C644 VanDerWaalsContact C-SG 3.53Å; F615-C644 PolarHBondContact N-SG 2.88Å; Q616-C644 HydrophobicContact CG-CB 4.06Å; C644-E646 VanDerWaalsContact C-N 3.34Å; C644-E646 PolarHBondContact O-N 2.8Å
645	N	65.8	Low	65.8	Low	57 Å²	57	108.9 Å²	108.9	31%	0.305	56%	0.555	S	S	.	*			trans	60.9	33.4	177.6	-61.8	-12.1	0	0	0	115.3	C607 T609 G612 H647 L648	C607-N645 PolarHBondContact SG-ND2 3.03Å; T609-N645 PolarHBondContact O-ND2 2.79Å; G612-N645 CarbonylContact C-O 3.58Å; G612-N645 WeakPolarHBondContact O-CB 3.45Å; N645-H647 PolarHBondContact O-N 2.96Å; N645-L648 HydrophobicContact CB-CB 4.11Å; N645-L648 PolarHBondContact O-N 3.24Å; N645-L648 VanDerWaalsContact O-N 3.17Å
646	E	59.6	Low	65.5	Low	121 Å²	121	105.7 Å²	105.7	57%	0.565	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-15	179.1	-71.5	-177.6	165	0	0	115.2	C644	C644-E646 VanDerWaalsContact C-N 3.34Å; C644-E646 PolarHBondContact O-N 2.8Å
647	H	58.7	Low	65.5	Low	178 Å²	178	105.3 Å²	105.3	82%	0.824	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	17.3	-175.9	-58.9	-46.2	0	0	0	115.3	N645	N645-H647 PolarHBondContact O-N 2.96Å
648	L	48.4	Very low	65.4	Low	95 Å²	95	101.9 Å²	101.9	50%	0.497	52%	0.517	S	S	.	.			trans	-105.5	148.2	-179.5	-128.4	75	0	0	0	109.9	T610 G612 N645	T610-L648 WeakPolarHBondContact O-CD2 2.88Å; G612-L648 WeakPolarHBondContact CA-O 3.3Å; G612-L648 PolarHBondContact N-O 2.72Å; N645-L648 HydrophobicContact CB-CB 4.11Å; N645-L648 PolarHBondContact O-N 3.24Å; N645-L648 VanDerWaalsContact O-N 3.17Å
649	L	46.9	Very low	65.4	Low	172 Å²	172	101.2 Å²	101.2	90%	0.901	51%	0.506	S	S	*	.			trans	-111.7	132.6	-174.5	-86	154.2	0	0	0	112.3	C611	C611-L649 WeakPolarHBondContact CB-O 3.37Å
650	C	46	Very low	65.3	Low	75 Å²	75	97.7 Å²	97.7	51%	0.507	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-96	139.5	-171.4	-102.1	0	0	0	0	118.2	C611	C611-C650 WeakPolarHBondContact CA-SG 3.48Å; C611-C650 VanDerWaalsContact CB-CA 3.43Å; C611-C650 HydrophobicContact CB-CB 3.73Å; C611-C650 WeakPolarHBondContact CB-SG 3.4Å; C611-C650 PolarHBondContact O-SG 3.35Å; C611-C650 WeakPolarHBondContact SG-CA 2.91Å; C611-C650 WeakPolarHBondContact SG-CB 3.16Å; C611-C650 CovalentContact SG-SG 2.03Å; C611-C650 PolarHBondContact SG-SG 3.39Å
651	P	47.1	Very low	65.3	Low	104 Å²	104	100.6 Å²	100.6	68%	0.675	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-91.7	170.7	170	21.8	-6.2	0	0	0	115.1	C611	C611-P651 WeakPolarHBondContact SG-CD 3.36Å
652	P	49.5	Very low	65.4	Low	111 Å²	111	99.5 Å²	99.5	72%	0.721	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-79	160.8	-164.7	-9	26.4	0	0	0	118.2
653	H	46.9	Very low	65.6	Low	179 Å²	179	98 Å²	98	83%	0.829	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-71	150.2	-170.4	-74.9	-83.2	0	0	0	118.8	N682	H653-N682 VanDerWaalsContact O-CB 3.26Å; H653-N682 WeakPolarHBondContact O-CB 3.43Å; H653-N682 PolarHBondContact O-ND2 2.98Å
654	M	52.3	Low	65.9	Low	89 Å²	89	101 Å²	101	44%	0.438	53%	0.525	S	S	.	.			trans	-111.1	148.8	-171.7	-46	-173.5	-174.4	0	0	116.7	E681 N682 G683	M654-E681 CarbonylContact C-O 3.55Å; M654-E681 WeakPolarHBondContact CA-O 3.45Å; M654-E681 VanDerWaalsContact CB-O 3.28Å; M654-E681 WeakPolarHBondContact CB-O 3.3Å; M654-N682 HydrophobicContact CB-CB 4.29Å; M654-N682 WeakPolarHBondContact CE-O 3.33Å; M654-N682 HydrophobicContact CG-CB 3.99Å; M654-N682 WeakPolarHBondContact CG-O 3.37Å; M654-G683 VanDerWaalsContact CE-CA 3.45Å; M654-G683 WeakPolarHBondContact SD-CA 3.42Å; M654-G683 PolarHBondContact SD-N 2.03Å; M654-G683 VanDerWaalsContact SD-N 3.35Å
655	F	62.1	Low	66.4	Low	108 Å²	108	101.8 Å²	101.8	47%	0.474	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.1	178.5	56.6	-91.7	0	0	0	113.9	E681 N682 C686	F655-E681 HydrophobicContact CD2-CB 4.27Å; F655-E681 HydrophobicContact CE2-CB 3.9Å; F655-E681 WeakPolarHBondContact CE2-OE2 3.21Å; F655-E681 HydrophobicContact CZ-CB 4.03Å; F655-E681 WeakPolarHBondContact CZ-OE2 3.47Å; F655-E681 PolarHBondContact N-O 2.96Å; F655-E681 PolarHBondContact O-N 2.77Å; F655-N682 WeakPolarHBondContact CE1-ND2 3.32Å; F655-C686 VanDerWaalsContact C-SG 3.57Å
656	W	68.5	Low	67.1	Low	68 Å²	68	104.1 Å²	104.1	26%	0.258	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	140.1	176	-75.1	112	0	0	0	112.4	R678 C680 C686 A687 G688 N690	W656-R678 HydrophobicContact CD2-CG 4.31Å; W656-R678 HydrophobicContact CE3-CB 4.3Å; W656-R678 HydrophobicContact CE3-CG 3.59Å; W656-R678 HydrophobicContact CZ3-CG 3.79Å; W656-C680 HydrophobicContact CE3-CB 4.48Å; W656-C680 HydrophobicContact CZ3-CB 4.35Å; W656-C686 HydrophobicContact CD2-CB 3.61Å; W656-C686 HydrophobicContact CE3-CB 4.04Å; W656-C686 HydrophobicContact CG-CB 4.15Å; W656-C686 HydrophobicContact CH2-CB 3.8Å; W656-C686 HydrophobicContact CZ2-CB 3.36Å; W656-C686 WeakPolarHBondContact CZ2-O 3.03Å; W656-C686 HydrophobicContact CZ3-CB 4.13Å; W656-A687 PolarHBondContact NE1-O 2.85Å; W656-G688 WeakPolarHBondContact CZ2-O 3.44Å; W656-N690 HydrophobicContact CH2-CB 3.82Å; W656-N690 HydrophobicContact CZ3-CB 3.9Å
657	T	77.7	Confident	67.7	Low	42 Å²	42	99.6 Å²	99.6	26%	0.258	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-74.2	165.7	162.9	65.8	0	0	0	0	111.9	I679 E681	T657-I679 HydrophobicContact CG2-CB 4.35Å; T657-I679 PolarHBondContact N-O 2.97Å; T657-I679 PolarHBondContact OG1-N 3.5Å; T657-I679 PolarHBondContact OG1-O 2.87Å; T657-E681 HydrophobicContact CG2-CG 3.78Å
658	G	76.2	Confident	68.6	Low	64 Å²	64	99.6 Å²	99.6	66%	0.66	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-61.8	156.4	169.7	0	0	0	0	0	112.5
659	W	81.1	Confident	70.1	Confident	91 Å²	91	96.5 Å²	96.5	35%	0.345	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-65.4	134.9	176.3	-71.3	106.3	0	0	0	111.8	R676 R678 C689 E692	W659-R676 HydrophobicContact CD2-CG 4.47Å; W659-R676 HydrophobicContact CE3-CG 3.88Å; W659-R676 HydrophobicContact CZ3-CG 4.36Å; W659-R678 HydrophobicContact CD2-CB 4.24Å; W659-R678 HydrophobicContact CD2-CG 4.23Å; W659-R678 HydrophobicContact CE3-CB 3.92Å; W659-R678 HydrophobicContact CE3-CG 3.86Å; W659-R678 HydrophobicContact CH2-CG 3.91Å; W659-R678 HydrophobicContact CZ2-CG 4.26Å; W659-R678 HydrophobicContact CZ3-CB 4.23Å; W659-R678 HydrophobicContact CZ3-CG 3.7Å; W659-C689 WeakPolarHBondContact CH2-O 3.45Å; W659-E692 HydrophobicContact CH2-CB 3.84Å; W659-E692 HydrophobicContact CZ2-CB 4.43Å; W659-E692 HydrophobicContact CZ3-CB 3.91Å
660	G	82.8	Confident	71.2	Confident	28 Å²	28	91 Å²	91	29%	0.289	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-68.9	172.3	168.9	0	0	0	0	0	113.3	R677	G660-R677 PolarHBondContact N-O 2.78Å
661	P	84.4	Confident	72.5	Confident	121 Å²	121	89.2 Å²	89.2	79%	0.786	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-64.6	157.7	174.5	28.5	-34.5	0	0	0	112
662	W	83.9	Confident	74.1	Confident	83 Å²	83	84.6 Å²	84.6	31%	0.314	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-67.8	133.8	173.9	-69.6	104	0	0	0	111.5	Q674 R676 E692 Q694	W662-Q674 HydrophobicContact CD2-CG 4.25Å; W662-Q674 HydrophobicContact CE3-CB 4.27Å; W662-Q674 HydrophobicContact CE3-CG 3.71Å; W662-Q674 HydrophobicContact CZ3-CG 4.26Å; W662-Q674 WeakPolarHBondContact CZ3-O 3.29Å; W662-R676 HydrophobicContact CD2-CB 4.11Å; W662-R676 HydrophobicContact CD2-CG 4.15Å; W662-R676 HydrophobicContact CE3-CB 3.95Å; W662-R676 HydrophobicContact CE3-CG 3.97Å; W662-R676 HydrophobicContact CH2-CG 3.95Å; W662-R676 HydrophobicContact CZ2-CG 4.12Å; W662-R676 HydrophobicContact CZ3-CB 4.31Å; W662-R676 HydrophobicContact CZ3-CG 3.88Å; W662-E692 HydrophobicContact CH2-CG 3.99Å; W662-E692 WeakPolarHBondContact CZ3-O 3.29Å; W662-Q694 HydrophobicContact CE3-CB 4.28Å; W662-Q694 HydrophobicContact CH2-CB 3.54Å; W662-Q694 HydrophobicContact CZ2-CB 4.16Å; W662-Q694 HydrophobicContact CZ3-CB 3.61Å
663	E	86.2	Confident	75.5	Confident	83 Å²	83	83.7 Å²	83.7	39%	0.388	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-65.3	165	171.6	-69.3	174.1	-168.3	0	0	111.3	Q674 A675 R677	E663-Q674 VanDerWaalsContact O-CB 3.32Å; E663-Q674 WeakPolarHBondContact O-CB 3.49Å; E663-A675 VanDerWaalsContact CB-O 3.28Å; E663-A675 WeakPolarHBondContact CB-O 3.09Å; E663-A675 VanDerWaalsContact CG-O 3.24Å; E663-A675 WeakPolarHBondContact CG-O 3.37Å; E663-A675 PolarHBondContact N-O 3.44Å; E663-R677 IonicContact OE1-CZ 3.04Å; E663-R677 IonicContact OE1-NE 3.4Å; E663-R677 PolarHBondContact OE1-NE 2.02Å; E663-R677 IonicContact OE1-NH2 2.65Å; E663-R677 PolarHBondContact OE1-NH2 3.17Å; E663-R677 VanDerWaalsContact OE1-NH2 3.08Å; E663-R677 IonicContact OE2-NH2 2.68Å
664	R	84.9	Confident	77.5	Confident	235 Å²	235	77.2 Å²	77.2	89%	0.887	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-65.4	148	176.2	-60.7	-176.8	-162.9	162.2	5.2	110.7	T666	R664-T666 PolarHBondContact O-N 3.36Å
665	C	85.8	Confident	79	Confident	34 Å²	34	73.3 Å²	73.3	23%	0.23	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-59.8	134.9	175	-166.4	0	0	0	0	112.2	A667 C696 N697	C665-A667 VanDerWaalsContact C-N 3.27Å; C665-A667 PolarHBondContact O-N 2.92Å; C665-A667 PolarHBondContact SG-O 2.84Å; C665-C696 WeakPolarHBondContact CA-SG 3.48Å; C665-C696 HydrophobicContact CB-CB 3.8Å; C665-C696 WeakPolarHBondContact CB-SG 3.21Å; C665-C696 VanDerWaalsContact SG-C 3.59Å; C665-C696 WeakPolarHBondContact SG-CB 3.35Å; C665-C696 CovalentContact SG-SG 2.01Å; C665-C696 PolarHBondContact SG-SG 3.15Å; C665-N697 WeakPolarHBondContact CB-ND2 3.31Å; C665-N697 PolarHBondContact SG-ND2 3.45Å; C665-N697 VanDerWaalsContact SG-ND2 3.43Å
666	T	79.9	Confident	80.2	Confident	106 Å²	106	71 Å²	71	65%	0.65	40%	0.395	S	S	*	.	S	Bend	trans	-69.4	-15.2	-178.7	55.1	0	0	0	0	115.3	R664 G672 I673	R664-T666 PolarHBondContact O-N 3.36Å; T666-G672 VanDerWaalsContact OG1-CA 3.3Å; T666-G672 WeakPolarHBondContact OG1-CA 3.22Å; T666-I673 VanDerWaalsContact CG2-O 3.27Å; T666-I673 WeakPolarHBondContact CG2-O 3.29Å; T666-I673 PolarHBondContact N-O 2.8Å; T666-I673 PolarHBondContact OG1-N 2.8Å; T666-I673 PolarHBondContact OG1-O 2.8Å
667	A	72.4	Confident	81.1	Confident	25 Å²	25	74.5 Å²	74.5	21%	0.207	41%	0.409	C	S	.	.			trans	-135.6	143.2	-178.2	0	0	0	0	0	111.5	C665 G671 N697	C665-A667 VanDerWaalsContact C-N 3.27Å; C665-A667 PolarHBondContact O-N 2.92Å; C665-A667 PolarHBondContact SG-O 2.84Å; A667-G671 WeakPolarHBondContact CB-O 3.18Å; A667-N697 VanDerWaalsContact O-CB 3.24Å; A667-N697 WeakPolarHBondContact O-CB 3.33Å; A667-N697 PolarHBondContact O-ND2 2.67Å
668	Q	76.9	Confident	81.4	Confident	179 Å²	179	75 Å²	75	84%	0.836	41%	0.406	S	S	*	.	S	Bend	trans	-84.3	-27.7	176.4	-66.9	-176.9	-4.5	0	0	113.1
669	C	80	Confident	81.6	Confident	30 Å²	30	77.7 Å²	77.7	20%	0.203	40%	0.404	C	S	.	.	S	Bend	trans	-150.4	160	171.9	58.4	0	0	0	0	107.9	N699 C701	C669-N699 CarbonylContact C-O 3.53Å; C669-N699 WeakPolarHBondContact CA-O 3.48Å; C669-N699 WeakPolarHBondContact CB-O 3.27Å; C669-C701 VanDerWaalsContact C-SG 3.53Å; C669-C701 HydrophobicContact CB-CB 4.25Å; C669-C701 WeakPolarHBondContact CB-SG 3.38Å; C669-C701 WeakPolarHBondContact SG-CB 3.13Å; C669-C701 CovalentContact SG-SG 2.05Å; C669-C701 PolarHBondContact SG-SG 2.92Å
670	G	70.6	Confident	81.1	Confident	57 Å²	57	74.5 Å²	74.5	59%	0.588	40%	0.395	S	S	*	.	S	Bend	trans	87.6	6.1	176.4	0	0	0	0	0	115.5	N697 N699	G670-N697 PolarHBondContact N-O 2.97Å; G670-N699 PolarHBondContact N-O 2.7Å
671	G	72.7	Confident	80.4	Confident	37 Å²	37	77.7 Å²	77.7	38%	0.381	40%	0.402	S	S	.	.			trans	89	124.6	-178.7	0	0	0	0	0	113.1	A667 C696 N697	A667-G671 WeakPolarHBondContact CB-O 3.18Å; G671-C696 CarbonylContact C-O 3.59Å; G671-N697 VanDerWaalsContact CA-O 3.32Å; G671-N697 WeakPolarHBondContact CA-O 3.44Å; G671-N697 PolarHBondContact N-O 2.92Å
672	G	80.3	Confident	79.3	Confident	7 Å²	7	76.5 Å²	76.5	7%	0.072	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	-178.2	174.7	0	0	0	0	0	112	T666 S695 C696	T666-G672 VanDerWaalsContact OG1-CA 3.3Å; T666-G672 WeakPolarHBondContact OG1-CA 3.22Å; G672-S695 CarbonylContact O-C 3.55Å; G672-S695 WeakPolarHBondContact O-CA 3.44Å; G672-C696 PolarHBondContact N-O 3.5Å; G672-C696 PolarHBondContact O-N 3.02Å; G672-C696 PolarHBondContact O-SG 3.44Å
673	I	79.9	Confident	78.3	Confident	91 Å²	91	73.9 Å²	73.9	47%	0.467	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.2	-176.6	-39	173.4	0	0	0	107.5	T666 Y693 Q694 C696	T666-I673 VanDerWaalsContact CG2-O 3.27Å; T666-I673 WeakPolarHBondContact CG2-O 3.29Å; T666-I673 PolarHBondContact N-O 2.8Å; T666-I673 PolarHBondContact OG1-N 2.8Å; T666-I673 PolarHBondContact OG1-O 2.8Å; I673-Y693 HydrophobicContact CG2-CD1 4.03Å; I673-Y693 HydrophobicContact CG2-CG 4.49Å; I673-Q694 CarbonylContact C-O 3.47Å; I673-Q694 WeakPolarHBondContact CA-O 3.03Å; I673-C696 VanDerWaalsContact C-SG 3.56Å
674	Q	88.1	Confident	77.1	Confident	44 Å²	44	75.9 Å²	75.9	21%	0.206	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.7	166.6	58.7	-178.7	6.9	0	0	109	W662 E663 Y693 Q694	W662-Q674 HydrophobicContact CD2-CG 4.25Å; W662-Q674 HydrophobicContact CE3-CB 4.27Å; W662-Q674 HydrophobicContact CE3-CG 3.71Å; W662-Q674 HydrophobicContact CZ3-CG 4.26Å; W662-Q674 WeakPolarHBondContact CZ3-O 3.29Å; E663-Q674 VanDerWaalsContact O-CB 3.32Å; E663-Q674 WeakPolarHBondContact O-CB 3.49Å; Q674-Y693 CarbonylContact O-C 3.57Å; Q674-Y693 WeakPolarHBondContact O-CA 3.47Å; Q674-Q694 HydrophobicContact CG-CB 3.89Å; Q674-Q694 WeakPolarHBondContact CG-O 3.38Å; Q674-Q694 PolarHBondContact N-O 3Å; Q674-Q694 PolarHBondContact O-N 3.33Å
675	A	84.2	Confident	76	Confident	7 Å²	7	71.7 Å²	71.7	6%	0.058	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.4	-178.6	0	0	0	0	0	111.6	E663 V691 E692 Y693	E663-A675 VanDerWaalsContact CB-O 3.28Å; E663-A675 WeakPolarHBondContact CB-O 3.09Å; E663-A675 VanDerWaalsContact CG-O 3.24Å; E663-A675 WeakPolarHBondContact CG-O 3.37Å; E663-A675 PolarHBondContact N-O 3.44Å; A675-V691 HydrophobicContact CB-CG1 4.23Å; A675-E692 CarbonylContact C-O 3.34Å; A675-E692 WeakPolarHBondContact CA-O 3.27Å; A675-Y693 HydrophobicContact CB-CD1 3.94Å; A675-Y693 HydrophobicContact CB-CE1 4.08Å
676	R	88.4	Confident	75.1	Confident	59 Å²	59	71.1 Å²	71.1	22%	0.223	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.6	169.2	65.4	176.4	-176.3	-172.7	-6.3	110.9	W659 W662 V691 E692	W659-R676 HydrophobicContact CD2-CG 4.47Å; W659-R676 HydrophobicContact CE3-CG 3.88Å; W659-R676 HydrophobicContact CZ3-CG 4.36Å; W662-R676 HydrophobicContact CD2-CB 4.11Å; W662-R676 HydrophobicContact CD2-CG 4.15Å; W662-R676 HydrophobicContact CE3-CB 3.95Å; W662-R676 HydrophobicContact CE3-CG 3.97Å; W662-R676 HydrophobicContact CH2-CG 3.95Å; W662-R676 HydrophobicContact CZ2-CG 4.12Å; W662-R676 HydrophobicContact CZ3-CB 4.31Å; W662-R676 HydrophobicContact CZ3-CG 3.88Å; R676-V691 WeakPolarHBondContact O-CA 2.95Å; R676-E692 HydrophobicContact CG-CB 3.88Å; R676-E692 IonicContact CZ-OE1 3.69Å; R676-E692 IonicContact CZ-OE2 2.69Å; R676-E692 PolarHBondContact N-O 3.06Å; R676-E692 VanDerWaalsContact NE-CD 3.32Å; R676-E692 IonicContact NE-OE1 3.77Å; R676-E692 IonicContact NE-OE2 3.16Å; R676-E692 PolarHBondContact NE-OE2 3.43Å; R676-E692 IonicContact NH2-OE1 2.93Å; R676-E692 PolarHBondContact NH2-OE1 2.82Å; R676-E692 IonicContact NH2-OE2 3.25Å; R676-E692 PolarHBondContact NH2-OE2 3.2Å; R676-E692 PolarHBondContact O-N 3.37Å
677	R	86.7	Confident	74.4	Confident	142 Å²	142	70.3 Å²	70.3	54%	0.536	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.1	-170.3	-54.6	-179.4	-171.3	-105.9	-4.2	112.4	G660 E663 N690 V691	G660-R677 PolarHBondContact N-O 2.78Å; E663-R677 IonicContact OE1-CZ 3.04Å; E663-R677 IonicContact OE1-NE 3.4Å; E663-R677 PolarHBondContact OE1-NE 2.02Å; E663-R677 IonicContact OE1-NH2 2.65Å; E663-R677 PolarHBondContact OE1-NH2 3.17Å; E663-R677 VanDerWaalsContact OE1-NH2 3.08Å; E663-R677 IonicContact OE2-NH2 2.68Å; R677-N690 WeakPolarHBondContact CA-O 3.5Å; R677-V691 HydrophobicContact CG-CG2 4.33Å
678	R	83.2	Confident	74.1	Confident	52 Å²	52	71.5 Å²	71.5	20%	0.196	42%	0.419	C	S	.	.			trans	-134.3	156.7	170.7	60.4	176	177.2	174.3	-0	110.7	W656 W659 C689 N690	W656-R678 HydrophobicContact CD2-CG 4.31Å; W656-R678 HydrophobicContact CE3-CB 4.3Å; W656-R678 HydrophobicContact CE3-CG 3.59Å; W656-R678 HydrophobicContact CZ3-CG 3.79Å; W659-R678 HydrophobicContact CD2-CB 4.24Å; W659-R678 HydrophobicContact CD2-CG 4.23Å; W659-R678 HydrophobicContact CE3-CB 3.92Å; W659-R678 HydrophobicContact CE3-CG 3.86Å; W659-R678 HydrophobicContact CH2-CG 3.91Å; W659-R678 HydrophobicContact CZ2-CG 4.26Å; W659-R678 HydrophobicContact CZ3-CB 4.23Å; W659-R678 HydrophobicContact CZ3-CG 3.7Å; R678-C689 VanDerWaalsContact CZ-O 3.24Å; R678-C689 PolarHBondContact NE-O 2.99Å; R678-C689 PolarHBondContact NH2-O 3.39Å; R678-N690 PolarHBondContact N-O 2.69Å
679	I	80.5	Confident	73.8	Confident	120 Å²	120	65.2 Å²	65.2	62%	0.615	39%	0.394	S	S	*	.			trans	-117.3	144.7	-173	-58	170.5	0	0	0	109.1	T657	T657-I679 HydrophobicContact CG2-CB 4.35Å; T657-I679 PolarHBondContact N-O 2.97Å; T657-I679 PolarHBondContact OG1-N 3.5Å; T657-I679 PolarHBondContact OG1-O 2.87Å
680	C	70.5	Confident	73.7	Confident	25 Å²	25	68.4 Å²	68.4	17%	0.169	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.6	170.8	-171.5	0	0	0	0	108.9	W656 G683 C686	W656-C680 HydrophobicContact CE3-CB 4.48Å; W656-C680 HydrophobicContact CZ3-CB 4.35Å; C680-G683 WeakPolarHBondContact CB-O 3.41Å; C680-G683 PolarHBondContact SG-O 3.02Å; C680-C686 WeakPolarHBondContact CA-SG 3.21Å; C680-C686 HydrophobicContact CB-CB 3.58Å; C680-C686 WeakPolarHBondContact CB-SG 2.95Å; C680-C686 WeakPolarHBondContact SG-CB 3.37Å; C680-C686 PolarHBondContact SG-N 3.38Å; C680-C686 CovalentContact SG-SG 2.01Å; C680-C686 PolarHBondContact SG-SG 2.9Å
681	E	69.1	Low	74.2	Confident	94 Å²	94	66.8 Å²	66.8	44%	0.439	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	142.8	171.2	-87.9	-174.2	170	0	0	110.6	M654 F655 T657 G683	M654-E681 CarbonylContact C-O 3.55Å; M654-E681 WeakPolarHBondContact CA-O 3.45Å; M654-E681 VanDerWaalsContact CB-O 3.28Å; M654-E681 WeakPolarHBondContact CB-O 3.3Å; F655-E681 HydrophobicContact CD2-CB 4.27Å; F655-E681 HydrophobicContact CE2-CB 3.9Å; F655-E681 WeakPolarHBondContact CE2-OE2 3.21Å; F655-E681 HydrophobicContact CZ-CB 4.03Å; F655-E681 WeakPolarHBondContact CZ-OE2 3.47Å; F655-E681 PolarHBondContact N-O 2.96Å; F655-E681 PolarHBondContact O-N 2.77Å; T657-E681 HydrophobicContact CG2-CG 3.78Å; E681-G683 PolarHBondContact O-N 3.1Å
682	N	60.4	Low	74.6	Confident	97 Å²	97	68.1 Å²	68.1	52%	0.519	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	7.9	-176.1	-48.4	-38.5	0	0	0	117.7	H653 M654 F655	H653-N682 VanDerWaalsContact O-CB 3.26Å; H653-N682 WeakPolarHBondContact O-CB 3.43Å; H653-N682 PolarHBondContact O-ND2 2.98Å; M654-N682 HydrophobicContact CB-CB 4.29Å; M654-N682 WeakPolarHBondContact CE-O 3.33Å; M654-N682 HydrophobicContact CG-CB 3.99Å; M654-N682 WeakPolarHBondContact CG-O 3.37Å; F655-N682 WeakPolarHBondContact CE1-ND2 3.32Å
683	G	63	Low	74.7	Confident	27 Å²	27	75.5 Å²	75.5	28%	0.278	41%	0.411	S	S	.	.	S	Bend	trans	155.7	-164.7	157.2	0	0	0	0	0	116.3	M654 C680 E681 D685	M654-G683 VanDerWaalsContact CE-CA 3.45Å; M654-G683 WeakPolarHBondContact SD-CA 3.42Å; M654-G683 PolarHBondContact SD-N 2.03Å; M654-G683 VanDerWaalsContact SD-N 3.35Å; C680-G683 WeakPolarHBondContact CB-O 3.41Å; C680-G683 PolarHBondContact SG-O 3.02Å; E681-G683 PolarHBondContact O-N 3.1Å; G683-D685 PolarHBondContact O-N 2.98Å
684	P	61.5	Low	74.8	Confident	126 Å²	126	75.6 Å²	75.6	82%	0.818	41%	0.409	S	S	*	.	S	Bend	trans	-83.3	-8.3	-159.6	29.9	-34.9	0	0	0	115.8
685	D	62.6	Low	74.4	Confident	146 Å²	146	78.2 Å²	78.2	78%	0.781	43%	0.432	S	S	*	.			trans	-130.9	65.8	-160.4	-130.7	-4.3	0	0	0	112.9	G683	G683-D685 PolarHBondContact O-N 2.98Å
686	C	66.6	Low	74.4	Confident	22 Å²	22	78.9 Å²	78.9	15%	0.149	44%	0.436	C	S	.	.			trans	-86.8	133.8	168.3	-75.3	0	0	0	0	110.7	F655 W656 C680 G688	F655-C686 VanDerWaalsContact C-SG 3.57Å; W656-C686 HydrophobicContact CD2-CB 3.61Å; W656-C686 HydrophobicContact CE3-CB 4.04Å; W656-C686 HydrophobicContact CG-CB 4.15Å; W656-C686 HydrophobicContact CH2-CB 3.8Å; W656-C686 HydrophobicContact CZ2-CB 3.36Å; W656-C686 WeakPolarHBondContact CZ2-O 3.03Å; W656-C686 HydrophobicContact CZ3-CB 4.13Å; C680-C686 WeakPolarHBondContact CA-SG 3.21Å; C680-C686 HydrophobicContact CB-CB 3.58Å; C680-C686 WeakPolarHBondContact CB-SG 2.95Å; C680-C686 WeakPolarHBondContact SG-CB 3.37Å; C680-C686 PolarHBondContact SG-N 3.38Å; C680-C686 CovalentContact SG-SG 2.01Å; C680-C686 PolarHBondContact SG-SG 2.9Å; C686-G688 PolarHBondContact O-N 2.89Å
687	A	65.6	Low	74	Confident	90 Å²	90	79.9 Å²	79.9	74%	0.744	45%	0.446	S	S	*	.	S	Bend	trans	-72.7	114.5	178.6	0	0	0	0	0	112.1	W656	W656-A687 PolarHBondContact NE1-O 2.85Å
688	G	66	Low	73.5	Confident	50 Å²	50	78.5 Å²	78.5	52%	0.515	45%	0.454	S	S	.	.	S	Bend	trans	135.5	167.4	174.3	0	0	0	0	0	114.1	W656 C686 N690	W656-G688 WeakPolarHBondContact CZ2-O 3.44Å; C686-G688 PolarHBondContact O-N 2.89Å; G688-N690 PolarHBondContact O-N 3.26Å
689	C	70.1	Confident	73.2	Confident	47 Å²	47	81.9 Å²	81.9	32%	0.318	48%	0.475	S	S	.	.			trans	-68.2	127.6	178.7	-56.5	0	0	0	0	109.7	W659 R678 V691 C846	W659-C689 WeakPolarHBondContact CH2-O 3.45Å; R678-C689 VanDerWaalsContact CZ-O 3.24Å; R678-C689 PolarHBondContact NE-O 2.99Å; R678-C689 PolarHBondContact NH2-O 3.39Å; C689-V691 VanDerWaalsContact C-N 3.32Å; C689-C846 HydrophobicContact CB-CB 4.46Å; C689-C846 WeakPolarHBondContact CB-SG 3.42Å; C689-C846 WeakPolarHBondContact SG-CB 3.47Å; C689-C846 CovalentContact SG-SG 2.08Å; C689-C846 PolarHBondContact SG-SG 3.32Å
690	N	77.7	Confident	72.9	Confident	96 Å²	96	81.6 Å²	81.6	51%	0.513	48%	0.482	S	S	.	.	S	Bend	trans	-83.3	-8.2	176.4	62.5	-29.1	0	0	0	113.3	W656 R677 R678 G688	W656-N690 HydrophobicContact CH2-CB 3.82Å; W656-N690 HydrophobicContact CZ3-CB 3.9Å; R677-N690 WeakPolarHBondContact CA-O 3.5Å; R678-N690 PolarHBondContact N-O 2.69Å; G688-N690 PolarHBondContact O-N 3.26Å
691	V	80.8	Confident	73.2	Confident	23 Å²	23	81.8 Å²	81.8	14%	0.139	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.8	-179.9	-173.3	0	0	0	0	109.5	A675 R676 R677 C689 Y693	A675-V691 HydrophobicContact CB-CG1 4.23Å; R676-V691 WeakPolarHBondContact O-CA 2.95Å; R677-V691 HydrophobicContact CG-CG2 4.33Å; C689-V691 VanDerWaalsContact C-N 3.32Å; V691-Y693 HydrophobicContact CG1-CE1 4.13Å; V691-Y693 HydrophobicContact CG1-CE2 3.97Å
692	E	80.5	Confident	73.5	Confident	66 Å²	66	82 Å²	82	31%	0.308	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.1	174	-175	-179.3	168.9	0	0	110.4	W659 W662 A675 R676	W659-E692 HydrophobicContact CH2-CB 3.84Å; W659-E692 HydrophobicContact CZ2-CB 4.43Å; W659-E692 HydrophobicContact CZ3-CB 3.91Å; W662-E692 HydrophobicContact CH2-CG 3.99Å; W662-E692 WeakPolarHBondContact CZ3-O 3.29Å; A675-E692 CarbonylContact C-O 3.34Å; A675-E692 WeakPolarHBondContact CA-O 3.27Å; R676-E692 HydrophobicContact CG-CB 3.88Å; R676-E692 IonicContact CZ-OE1 3.69Å; R676-E692 IonicContact CZ-OE2 2.69Å; R676-E692 PolarHBondContact N-O 3.06Å; R676-E692 VanDerWaalsContact NE-CD 3.32Å; R676-E692 IonicContact NE-OE1 3.77Å; R676-E692 IonicContact NE-OE2 3.16Å; R676-E692 PolarHBondContact NE-OE2 3.43Å; R676-E692 IonicContact NH2-OE1 2.93Å; R676-E692 PolarHBondContact NH2-OE1 2.82Å; R676-E692 IonicContact NH2-OE2 3.25Å; R676-E692 PolarHBondContact NH2-OE2 3.2Å; R676-E692 PolarHBondContact O-N 3.37Å
693	Y	83.4	Confident	74.2	Confident	162 Å²	162	83.7 Å²	83.7	64%	0.635	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.2	-173.8	-60.3	-84.3	0	0	0	112.1	I673 Q674 A675 V691	I673-Y693 HydrophobicContact CG2-CD1 4.03Å; I673-Y693 HydrophobicContact CG2-CG 4.49Å; Q674-Y693 CarbonylContact O-C 3.57Å; Q674-Y693 WeakPolarHBondContact O-CA 3.47Å; A675-Y693 HydrophobicContact CB-CD1 3.94Å; A675-Y693 HydrophobicContact CB-CE1 4.08Å; V691-Y693 HydrophobicContact CG1-CE1 4.13Å; V691-Y693 HydrophobicContact CG1-CE2 3.97Å
694	Q	81.2	Confident	74.6	Confident	92 Å²	92	85.7 Å²	85.7	43%	0.43	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.5	174.9	-175.9	178.6	20.4	0	0	111.3	W662 I673 Q674	W662-Q694 HydrophobicContact CE3-CB 4.28Å; W662-Q694 HydrophobicContact CH2-CB 3.54Å; W662-Q694 HydrophobicContact CZ2-CB 4.16Å; W662-Q694 HydrophobicContact CZ3-CB 3.61Å; I673-Q694 CarbonylContact C-O 3.47Å; I673-Q694 WeakPolarHBondContact CA-O 3.03Å; Q674-Q694 HydrophobicContact CG-CB 3.89Å; Q674-Q694 WeakPolarHBondContact CG-O 3.38Å; Q674-Q694 PolarHBondContact N-O 3Å; Q674-Q694 PolarHBondContact O-N 3.33Å
695	S	81	Confident	75.2	Confident	99 Å²	99	87.6 Å²	87.6	69%	0.692	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	147.3	178.9	23.8	0	0	0	0	113.7	G672	G672-S695 CarbonylContact O-C 3.55Å; G672-S695 WeakPolarHBondContact O-CA 3.44Å
696	C	83.9	Confident	75.6	Confident	21 Å²	21	87.9 Å²	87.9	14%	0.142	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.8	-177.5	51.4	0	0	0	0	112.4	C665 G671 G672 I673	C665-C696 WeakPolarHBondContact CA-SG 3.48Å; C665-C696 HydrophobicContact CB-CB 3.8Å; C665-C696 WeakPolarHBondContact CB-SG 3.21Å; C665-C696 VanDerWaalsContact SG-C 3.59Å; C665-C696 WeakPolarHBondContact SG-CB 3.35Å; C665-C696 CovalentContact SG-SG 2.01Å; C665-C696 PolarHBondContact SG-SG 3.15Å; G671-C696 CarbonylContact C-O 3.59Å; G672-C696 PolarHBondContact N-O 3.5Å; G672-C696 PolarHBondContact O-N 3.02Å; G672-C696 PolarHBondContact O-SG 3.44Å; I673-C696 VanDerWaalsContact C-SG 3.56Å
697	N	79.3	Confident	76.1	Confident	81 Å²	81	90.9 Å²	90.9	43%	0.433	51%	0.509	S	S	.	.			trans	54.7	52.5	172.7	-64.4	-16.7	0	0	0	118.4	C665 A667 G670 G671 N699	C665-N697 WeakPolarHBondContact CB-ND2 3.31Å; C665-N697 PolarHBondContact SG-ND2 3.45Å; C665-N697 VanDerWaalsContact SG-ND2 3.43Å; A667-N697 VanDerWaalsContact O-CB 3.24Å; A667-N697 WeakPolarHBondContact O-CB 3.33Å; A667-N697 PolarHBondContact O-ND2 2.67Å; G670-N697 PolarHBondContact N-O 2.97Å; G671-N697 VanDerWaalsContact CA-O 3.32Å; G671-N697 WeakPolarHBondContact CA-O 3.44Å; G671-N697 PolarHBondContact N-O 2.92Å; N697-N699 PolarHBondContact O-N 3.28Å
698	T	75.9	Confident	76.5	Confident	113 Å²	113	88.7 Å²	88.7	69%	0.693	49%	0.486	S	S	*	.			trans	-80	9.9	-171.5	53.5	0	0	0	0	117.7
699	N	76.7	Confident	77.1	Confident	122 Å²	122	91.6 Å²	91.6	65%	0.652	50%	0.496	S	S	*	.	S	Bend	trans	-87.6	144.7	-178.4	-65.4	-28.8	0	0	0	112.9	C669 G670 N697	C669-N699 CarbonylContact C-O 3.53Å; C669-N699 WeakPolarHBondContact CA-O 3.48Å; C669-N699 WeakPolarHBondContact CB-O 3.27Å; G670-N699 PolarHBondContact N-O 2.7Å; N697-N699 PolarHBondContact O-N 3.28Å
700	P	74.3	Confident	77.7	Confident	115 Å²	115	94 Å²	94	75%	0.747	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-71.4	155.1	-176.3	26.7	-34.1	0	0	0	116.2
701	C	77.9	Confident	77.8	Confident	29 Å²	29	91.7 Å²	91.7	20%	0.196	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-95.3	161.6	-175.6	-53.9	0	0	0	0	115.5	C669	C669-C701 VanDerWaalsContact C-SG 3.53Å; C669-C701 HydrophobicContact CB-CB 4.25Å; C669-C701 WeakPolarHBondContact CB-SG 3.38Å; C669-C701 WeakPolarHBondContact SG-CB 3.13Å; C669-C701 CovalentContact SG-SG 2.05Å; C669-C701 PolarHBondContact SG-SG 2.92Å
702	P	75.3	Confident	77.8	Confident	98 Å²	98	95.7 Å²	95.7	64%	0.636	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-78.4	164.2	-178.8	-3.5	20.4	0	0	0	116.1	R736 L737	P702-R736 CarbonylContact O-C 3.51Å; P702-R736 VanDerWaalsContact O-CA 3.26Å; P702-R736 WeakPolarHBondContact O-CA 3.5Å; P702-L737 PolarHBondContact O-N 2.86Å
703	E	74.4	Confident	77.8	Confident	133 Å²	133	95.3 Å²	95.3	62%	0.621	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.1	-174	-162.8	175.1	167.8	0	0	115.4	R736	E703-R736 HydrophobicContact CB-CG 3.88Å; E703-R736 HydrophobicContact CG-CG 3.98Å; E703-R736 IonicContact OE2-NE 3.08Å
704	L	71.2	Confident	77.5	Confident	68 Å²	68	90.2 Å²	90.2	36%	0.356	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.4	-173.7	-71.9	157.5	0	0	0	114.6	K734 A735 P740	L704-K734 VanDerWaalsContact O-CA 3.31Å; L704-K734 WeakPolarHBondContact O-CA 3.38Å; L704-A735 PolarHBondContact N-O 2.86Å; L704-A735 PolarHBondContact O-N 3.26Å; L704-A735 VanDerWaalsContact O-N 3.09Å; L704-P740 HydrophobicContact CD1-CB 3.88Å; L704-P740 HydrophobicContact CD1-CG 3.97Å
705	K	74.7	Confident	77.2	Confident	167 Å²	167	90 Å²	90	73%	0.726	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.9	-178.9	179.1	-177	178.3	-170	0	114	C733 K734	K705-C733 WeakPolarHBondContact CA-O 3.45Å; K705-K734 HydrophobicContact CB-CG 4.27Å; K705-K734 HydrophobicContact CG-CG 4.03Å
706	K	71.7	Confident	76.6	Confident	151 Å²	151	87.9 Å²	87.9	66%	0.657	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.8	154	-178.8	-140.8	173.5	-173.8	178	0	114.9	C733 L743	K706-C733 PolarHBondContact N-O 3.1Å; K706-C733 PolarHBondContact O-N 3.35Å; K706-L743 HydrophobicContact CB-CD2 3.52Å; K706-L743 HydrophobicContact CD-CD2 4.39Å
707	T	75.6	Confident	75.6	Confident	86 Å²	86	92.4 Å²	92.4	53%	0.528	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.4	-179.9	42	0	0	0	0	112.5	T732	T707-T732 HydrophobicContact CG2-CG2 3.41Å; T707-T732 VanDerWaalsContact CG2-CG2 3.41Å
708	T	75	Confident	74.5	Confident	43 Å²	43	95.2 Å²	95.2	26%	0.264	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-87.4	156.9	-179.7	75.3	0	0	0	0	113.8	Y731	T708-Y731 HydrophobicContact CG2-CD2 4.34Å; T708-Y731 PolarHBondContact N-O 2.67Å; T708-Y731 PolarHBondContact OG1-N 2.7Å
709	P	78.8	Confident	73.6	Confident	112 Å²	112	92.2 Å²	92.2	73%	0.727	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-65.3	169	165.1	-12.5	27.4	0	0	0	112.3
710	W	81.8	Confident	72.6	Confident	96 Å²	96	94.7 Å²	94.7	36%	0.364	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-76	142.4	171.9	-73.2	107	0	0	0	111.8	R728 F729 R730 R749 E751	W710-R728 HydrophobicContact CE3-CG 4.04Å; W710-R728 HydrophobicContact CZ3-CG 4.46Å; W710-F729 CarbonylContact C-O 3.57Å; W710-F729 VanDerWaalsContact CA-O 3.32Å; W710-F729 WeakPolarHBondContact CA-O 3.5Å; W710-R730 HydrophobicContact CD2-CB 4Å; W710-R730 HydrophobicContact CD2-CG 4.08Å; W710-R730 VanDerWaalsContact CE2-CD 3.46Å; W710-R730 HydrophobicContact CE3-CB 3.9Å; W710-R730 HydrophobicContact CE3-CG 3.97Å; W710-R730 HydrophobicContact CG-CB 4.48Å; W710-R730 HydrophobicContact CH2-CG 3.94Å; W710-R730 VanDerWaalsContact CZ2-CD 3.47Å; W710-R730 HydrophobicContact CZ2-CG 4.03Å; W710-R730 HydrophobicContact CZ3-CB 4.28Å; W710-R730 HydrophobicContact CZ3-CG 3.9Å; W710-R749 HydrophobicContact CH2-CB 4.24Å; W710-R749 HydrophobicContact CZ3-CB 4.5Å; W710-E751 HydrophobicContact CH2-CB 4.42Å; W710-E751 HydrophobicContact CZ3-CB 4.22Å
711	T	79.5	Confident	71.8	Confident	49 Å²	49	96 Å²	96	30%	0.301	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-70.8	160.8	172	67.5	0	0	0	0	111.9	R728 F729	T711-R728 VanDerWaalsContact O-CB 3.27Å; T711-R728 WeakPolarHBondContact O-CB 3.29Å; T711-R728 WeakPolarHBondContact OG1-CA 3.33Å; T711-R728 WeakPolarHBondContact OG1-CB 3.42Å; T711-F729 HydrophobicContact CG2-CB 3.94Å; T711-F729 HydrophobicContact CG2-CD2 4.21Å; T711-F729 PolarHBondContact N-O 3.32Å; T711-F729 PolarHBondContact OG1-N 2.8Å
712	P	81.3	Confident	71	Confident	106 Å²	106	96.8 Å²	96.8	69%	0.688	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-57.4	158.5	164.6	-22.4	34	0	0	0	112.1
713	W	81.6	Confident	70.8	Confident	58 Å²	58	92.1 Å²	92.1	22%	0.22	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-70.2	136.4	173.4	-67.9	102.4	0	0	0	110.9	E726 Q727 R728 E751 R753	W713-E726 HydrophobicContact CB-CB 4.16Å; W713-E726 VanDerWaalsContact CB-OE2 3.24Å; W713-E726 WeakPolarHBondContact CB-OE2 3.38Å; W713-E726 HydrophobicContact CE3-CB 4.17Å; W713-Q727 CarbonylContact C-O 3.54Å; W713-Q727 WeakPolarHBondContact CA-O 3.3Å; W713-R728 HydrophobicContact CD2-CB 4.49Å; W713-R728 HydrophobicContact CD2-CG 4.3Å; W713-R728 HydrophobicContact CE3-CB 4.4Å; W713-R728 HydrophobicContact CE3-CG 4.19Å; W713-R728 HydrophobicContact CH2-CG 4.29Å; W713-R728 HydrophobicContact CZ2-CG 4.37Å; W713-R728 HydrophobicContact CZ3-CG 4.18Å; W713-E751 HydrophobicContact CH2-CB 4.43Å; W713-E751 HydrophobicContact CH2-CG 3.88Å; W713-R753 HydrophobicContact CD2-CG 4.1Å; W713-R753 HydrophobicContact CE3-CB 4.43Å; W713-R753 HydrophobicContact CE3-CG 3.67Å; W713-R753 HydrophobicContact CH2-CB 4.01Å; W713-R753 HydrophobicContact CH2-CG 4.07Å; W713-R753 HydrophobicContact CZ2-CG 4.47Å; W713-R753 HydrophobicContact CZ3-CB 3.91Å; W713-R753 HydrophobicContact CZ3-CG 3.66Å
714	T	76.4	Confident	70.7	Confident	55 Å²	55	88.3 Å²	88.3	34%	0.337	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.6	-175.9	49.2	0	0	0	0	111.4	E726 Q727	T714-E726 CarbonylContact O-C 3.46Å; T714-E726 WeakPolarHBondContact O-CA 3.3Å; T714-Q727 PolarHBondContact N-O 3Å; T714-Q727 PolarHBondContact O-N 3Å; T714-Q727 VanDerWaalsContact OG1-CG 3.29Å; T714-Q727 WeakPolarHBondContact OG1-CG 3.39Å; T714-Q727 PolarHBondContact OG1-O 2.94Å
715	P	74.8	Confident	71	Confident	88 Å²	88	90.8 Å²	90.8	57%	0.571	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	138.2	-177.7	25.3	-32.6	0	0	0	112.6	Y725	P715-Y725 CarbonylContact C-O 3.54Å; P715-Y725 WeakPolarHBondContact CA-O 3.27Å
716	V	68.7	Low	71.4	Confident	55 Å²	55	84 Å²	84	33%	0.333	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-32.3	-171.7	-167.6	0	0	0	0	113.3	Y725 Q727	V716-Y725 PolarHBondContact N-O 3.46Å; V716-Q727 HydrophobicContact CG2-CB 3.59Å; V716-Q727 HydrophobicContact CG2-CG 3.35Å
717	N	62.2	Low	72	Confident	115 Å²	115	79.1 Å²	79.1	62%	0.615	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.3	134.8	175.2	-84.4	-34.5	0	0	0	109.3	H724 Y725	N717-H724 VanDerWaalsContact O-CA 3.28Å; N717-H724 WeakPolarHBondContact O-CA 3.48Å; N717-Y725 PolarHBondContact O-N 3.24Å; N717-Y725 VanDerWaalsContact O-N 3.15Å
718	I	56.5	Low	72.6	Confident	141 Å²	141	77.9 Å²	77.9	72%	0.723	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.1	173.3	-58	167	0	0	0	106.3	H724	I718-H724 HydrophobicContact CG1-CB 4.35Å
719	S	56.2	Low	73	Confident	49 Å²	49	77.8 Å²	77.8	34%	0.343	42%	0.421	S	S	.	.			trans	-82.2	149.3	174.3	64.4	0	0	0	0	110.8	N721 G722 G723	S719-N721 PolarHBondContact O-N 2.84Å; S719-G722 PolarHBondContact O-N 3.12Å; S719-G723 PolarHBondContact N-O 3.35Å; S719-G723 PolarHBondContact OG-N 2.91Å; S719-G723 PolarHBondContact OG-O 3.36Å
720	D	56.4	Low	73.2	Confident	174 Å²	174	75.7 Å²	75.7	93%	0.93	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-15.2	-178.5	-72.9	-28.8	0	0	0	114.1
721	N	57.3	Low	73	Confident	143 Å²	143	75 Å²	75	77%	0.765	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	10.5	176.7	-69.6	-6.3	0	0	0	113.9	S719 G723 S757	S719-N721 PolarHBondContact O-N 2.84Å; N721-G723 PolarHBondContact O-N 2.96Å; N721-S757 VanDerWaalsContact O-CB 3.3Å; N721-S757 WeakPolarHBondContact O-CB 3.47Å; N721-S757 PolarHBondContact O-OG 3.48Å
722	G	61.2	Low	72.8	Confident	45 Å²	45	76 Å²	76	46%	0.464	40%	0.403	S	S	.	.	S	Bend	trans	83.2	3.9	174.2	0	0	0	0	0	116.2	S719 S757	S719-G722 PolarHBondContact O-N 3.12Å; G722-S757 VanDerWaalsContact C-CB 3.46Å; G722-S757 WeakPolarHBondContact O-CA 3.3Å; G722-S757 WeakPolarHBondContact O-CB 3.25Å
723	G	72.2	Confident	72.2	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.01	38%	0.375	C	S	.	.			trans	-91.2	147.6	170.4	0	0	0	0	0	112.2	S719 N721 C755	S719-G723 PolarHBondContact N-O 3.35Å; S719-G723 PolarHBondContact OG-N 2.91Å; S719-G723 PolarHBondContact OG-O 3.36Å; N721-G723 PolarHBondContact O-N 2.96Å; G723-C755 CarbonylContact C-O 3.51Å; G723-C755 VanDerWaalsContact CA-O 3.28Å; G723-C755 WeakPolarHBondContact CA-O 3.19Å
724	H	70.9	Confident	71.8	Confident	53 Å²	53	76.1 Å²	76.1	25%	0.245	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.8	-178.9	69.2	-84.4	0	0	0	113.7	N717 I718 E726 C755	N717-H724 VanDerWaalsContact O-CA 3.28Å; N717-H724 WeakPolarHBondContact O-CA 3.48Å; I718-H724 HydrophobicContact CG1-CB 4.35Å; H724-E726 IonicContact CD2-OE1 2.72Å; H724-E726 IonicContact CE1-OE1 2.65Å; H724-E726 IonicContact NE2-OE1 3.01Å; H724-E726 PolarHBondContact NE2-OE1 3.11Å; H724-C755 VanDerWaalsContact CE1-CB 3.49Å; H724-C755 WeakPolarHBondContact CE1-CB 3.34Å; H724-C755 PolarHBondContact N-O 2.81Å; H724-C755 WeakPolarHBondContact O-CB 3.42Å; H724-C755 PolarHBondContact O-N 3.16Å
725	Y	78.5	Confident	71.5	Confident	120 Å²	120	75 Å²	75	47%	0.471	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	150	170.3	-74.5	-85.3	0	0	0	111	P715 V716 N717 R753 Y754	P715-Y725 CarbonylContact C-O 3.54Å; P715-Y725 WeakPolarHBondContact CA-O 3.27Å; V716-Y725 PolarHBondContact N-O 3.46Å; N717-Y725 PolarHBondContact O-N 3.24Å; N717-Y725 VanDerWaalsContact O-N 3.15Å; Y725-R753 CarbonylContact C-O 3.56Å; Y725-R753 WeakPolarHBondContact CA-O 3.19Å; Y725-Y754 HydrophobicContact CD1-CD2 4.01Å; Y725-Y754 HydrophobicContact CD2-CD2 4.23Å; Y725-Y754 AromaticContact CE1-CD2 3.69Å; Y725-Y754 HydrophobicContact CE1-CD2 3.69Å; Y725-Y754 HydrophobicContact CE1-CG 4.31Å; Y725-Y754 AromaticContact CE2-CD2 3.93Å; Y725-Y754 HydrophobicContact CE2-CD2 3.93Å; Y725-Y754 HydrophobicContact CE2-CE2 4.2Å; Y725-Y754 HydrophobicContact CG-CD2 4.28Å; Y725-Y754 AromaticContact CZ-CD2 3.64Å
726	E	82.7	Confident	71.3	Confident	25 Å²	25	79.1 Å²	79.1	12%	0.117	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.3	171.6	-55.6	-178.9	-179.5	0	0	113.4	W713 T714 H724 M752 R753 C755	W713-E726 HydrophobicContact CB-CB 4.16Å; W713-E726 VanDerWaalsContact CB-OE2 3.24Å; W713-E726 WeakPolarHBondContact CB-OE2 3.38Å; W713-E726 HydrophobicContact CE3-CB 4.17Å; T714-E726 CarbonylContact O-C 3.46Å; T714-E726 WeakPolarHBondContact O-CA 3.3Å; H724-E726 IonicContact CD2-OE1 2.72Å; H724-E726 IonicContact CE1-OE1 2.65Å; H724-E726 IonicContact NE2-OE1 3.01Å; H724-E726 PolarHBondContact NE2-OE1 3.11Å; E726-M752 CarbonylContact O-C 3.59Å; E726-M752 VanDerWaalsContact O-CA 3.25Å; E726-M752 WeakPolarHBondContact O-CA 3.36Å; E726-R753 HydrophobicContact CB-CG 3.84Å; E726-R753 PolarHBondContact N-O 2.99Å; E726-R753 PolarHBondContact O-N 2.93Å; E726-R753 IonicContact OE1-NH2 3.06Å; E726-R753 IonicContact OE2-CZ 2.86Å; E726-R753 IonicContact OE2-NE 3.88Å; E726-R753 PolarHBondContact OE2-NE 3.22Å; E726-R753 IonicContact OE2-NH2 2.79Å; E726-R753 PolarHBondContact OE2-NH2 2.88Å; E726-C755 PolarHBondContact OE1-SG 2.84Å
727	Q	85	Confident	71.2	Confident	48 Å²	48	78.4 Å²	78.4	22%	0.224	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.4	-179	71.6	-174.4	-16.2	0	0	115.2	W713 T714 V716 F729 E751 M752	W713-Q727 CarbonylContact C-O 3.54Å; W713-Q727 WeakPolarHBondContact CA-O 3.3Å; T714-Q727 PolarHBondContact N-O 3Å; T714-Q727 PolarHBondContact O-N 3Å; T714-Q727 VanDerWaalsContact OG1-CG 3.29Å; T714-Q727 WeakPolarHBondContact OG1-CG 3.39Å; T714-Q727 PolarHBondContact OG1-O 2.94Å; V716-Q727 HydrophobicContact CG2-CB 3.59Å; V716-Q727 HydrophobicContact CG2-CG 3.35Å; Q727-F729 HydrophobicContact CG-CE2 4.25Å; Q727-F729 HydrophobicContact CG-CZ 3.91Å; Q727-E751 CarbonylContact C-O 3.34Å; Q727-E751 WeakPolarHBondContact CA-O 3.46Å; Q727-M752 HydrophobicContact CB-CG 4.25Å
728	R	87	Confident	71.4	Confident	60 Å²	60	75.8 Å²	75.8	23%	0.226	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.4	172.6	66.6	176.1	-171.1	-168.2	-5.6	115.3	W710 T711 W713 I750 E751	W710-R728 HydrophobicContact CE3-CG 4.04Å; W710-R728 HydrophobicContact CZ3-CG 4.46Å; T711-R728 VanDerWaalsContact O-CB 3.27Å; T711-R728 WeakPolarHBondContact O-CB 3.29Å; T711-R728 WeakPolarHBondContact OG1-CA 3.33Å; T711-R728 WeakPolarHBondContact OG1-CB 3.42Å; W713-R728 HydrophobicContact CD2-CB 4.49Å; W713-R728 HydrophobicContact CD2-CG 4.3Å; W713-R728 HydrophobicContact CE3-CB 4.4Å; W713-R728 HydrophobicContact CE3-CG 4.19Å; W713-R728 HydrophobicContact CH2-CG 4.29Å; W713-R728 HydrophobicContact CZ2-CG 4.37Å; W713-R728 HydrophobicContact CZ3-CG 4.18Å; R728-I750 WeakPolarHBondContact O-CA 3.27Å; R728-E751 HydrophobicContact CG-CB 3.87Å; R728-E751 IonicContact CZ-OE1 3.12Å; R728-E751 IonicContact CZ-OE2 2.71Å; R728-E751 PolarHBondContact N-O 2.87Å; R728-E751 VanDerWaalsContact NE-CD 3.31Å; R728-E751 IonicContact NE-OE1 3.8Å; R728-E751 IonicContact NE-OE2 2.81Å; R728-E751 PolarHBondContact NE-OE2 2.69Å; R728-E751 IonicContact NH2-OE1 2.91Å; R728-E751 PolarHBondContact NH2-OE1 3.04Å; R728-E751 IonicContact NH2-OE2 3.4Å; R728-E751 PolarHBondContact NH2-OE2 3.16Å; R728-E751 PolarHBondContact O-N 2.81Å
729	F	83.6	Confident	72	Confident	40 Å²	40	72 Å²	72	18%	0.175	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.1	-169.5	-47.8	-78.6	0	0	0	115.9	W710 T711 Q727 Q748 R749 I750	W710-F729 CarbonylContact C-O 3.57Å; W710-F729 VanDerWaalsContact CA-O 3.32Å; W710-F729 WeakPolarHBondContact CA-O 3.5Å; T711-F729 HydrophobicContact CG2-CB 3.94Å; T711-F729 HydrophobicContact CG2-CD2 4.21Å; T711-F729 PolarHBondContact N-O 3.32Å; T711-F729 PolarHBondContact OG1-N 2.8Å; Q727-F729 HydrophobicContact CG-CE2 4.25Å; Q727-F729 HydrophobicContact CG-CZ 3.91Å; F729-Q748 HydrophobicContact CD1-CG 4.06Å; F729-R749 CarbonylContact C-O 3.52Å; F729-R749 WeakPolarHBondContact CA-O 3.49Å; F729-I750 HydrophobicContact CD1-CG1 3.87Å; F729-I750 HydrophobicContact CE1-CG1 3.94Å; F729-I750 HydrophobicContact CE1-CG2 4.34Å
730	R	84.3	Confident	72.5	Confident	69 Å²	69	73.3 Å²	73.3	26%	0.26	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	161.9	164.9	73.2	175.2	-69.6	-175.1	4.7	114	W710 R749	W710-R730 HydrophobicContact CD2-CB 4Å; W710-R730 HydrophobicContact CD2-CG 4.08Å; W710-R730 VanDerWaalsContact CE2-CD 3.46Å; W710-R730 HydrophobicContact CE3-CB 3.9Å; W710-R730 HydrophobicContact CE3-CG 3.97Å; W710-R730 HydrophobicContact CG-CB 4.48Å; W710-R730 HydrophobicContact CH2-CG 3.94Å; W710-R730 VanDerWaalsContact CZ2-CD 3.47Å; W710-R730 HydrophobicContact CZ2-CG 4.03Å; W710-R730 HydrophobicContact CZ3-CB 4.28Å; W710-R730 HydrophobicContact CZ3-CG 3.9Å; R730-R749 HydrophobicContact CG-CB 3.89Å; R730-R749 PolarHBondContact N-O 3.44Å; R730-R749 VanDerWaalsContact N-O 3.15Å; R730-R749 PolarHBondContact O-N 3.3Å
731	Y	77	Confident	73.1	Confident	81 Å²	81	71.7 Å²	71.7	32%	0.318	37%	0.365	S	S	.	.			trans	-136.2	160.9	-172.8	-54.3	-89.3	0	0	0	116.1	T708 V745 G746 Q748	T708-Y731 HydrophobicContact CG2-CD2 4.34Å; T708-Y731 PolarHBondContact N-O 2.67Å; T708-Y731 PolarHBondContact OG1-N 2.7Å; Y731-V745 HydrophobicContact CD1-CG1 3.46Å; Y731-V745 VanDerWaalsContact CD1-CG1 3.46Å; Y731-V745 HydrophobicContact CD2-CG1 3.87Å; Y731-V745 HydrophobicContact CE1-CG1 4.29Å; Y731-V745 HydrophobicContact CG-CG1 3.21Å; Y731-G746 WeakPolarHBondContact CB-O 3.38Å; Y731-Q748 HydrophobicContact CD1-CB 4.31Å; Y731-Q748 HydrophobicContact CE1-CB 3.95Å; Y731-Q748 HydrophobicContact CE1-CG 4.39Å
732	T	74.5	Confident	73.5	Confident	71 Å²	71	70 Å²	70	44%	0.436	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	134.1	-179.2	36	0	0	0	0	113.1	T707 G746	T707-T732 HydrophobicContact CG2-CG2 3.41Å; T707-T732 VanDerWaalsContact CG2-CG2 3.41Å; T732-G746 PolarHBondContact N-O 3.2Å; T732-G746 CarbonylContact O-C 3.49Å; T732-G746 VanDerWaalsContact O-CA 3.23Å; T732-G746 WeakPolarHBondContact O-CA 3.45Å; T732-G746 PolarHBondContact O-N 3.42Å
733	C	68.9	Low	73.7	Confident	13 Å²	13	69.2 Å²	69.2	9%	0.088	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.2	-169.7	-32	0	0	0	0	114.5	K705 K706 L743 E744 V745	K705-C733 WeakPolarHBondContact CA-O 3.45Å; K706-C733 PolarHBondContact N-O 3.1Å; K706-C733 PolarHBondContact O-N 3.35Å; C733-L743 HydrophobicContact CB-CD1 4.31Å; C733-L743 HydrophobicContact CB-CD2 3.64Å; C733-L743 HydrophobicContact CB-CG 3.67Å; C733-E744 WeakPolarHBondContact CB-O 3.34Å; C733-V745 VanDerWaalsContact SG-CA 3.53Å
734	K	73.5	Confident	73.3	Confident	152 Å²	152	77.7 Å²	77.7	66%	0.661	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.3	130.8	175.6	-64.7	-178.3	-177.9	-178.5	0	112.2	L704 K705	L704-K734 VanDerWaalsContact O-CA 3.31Å; L704-K734 WeakPolarHBondContact O-CA 3.38Å; K705-K734 HydrophobicContact CB-CG 4.27Å; K705-K734 HydrophobicContact CG-CG 4.03Å
735	A	69.6	Low	72.8	Confident	32 Å²	32	79.4 Å²	79.4	26%	0.264	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	161.4	175.5	0	0	0	0	0	115	L704 L737 L743	L704-A735 PolarHBondContact N-O 2.86Å; L704-A735 PolarHBondContact O-N 3.26Å; L704-A735 VanDerWaalsContact O-N 3.09Å; A735-L737 HydrophobicContact CB-CD1 3.59Å; A735-L737 HydrophobicContact CB-CG 3.77Å; A735-L743 HydrophobicContact CB-CD1 3.87Å
736	R	70.9	Confident	71.9	Confident	174 Å²	174	75 Å²	75	66%	0.657	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	102	170.3	-71.2	-173.2	-177.4	179.6	1.2	110.7	P702 E703	P702-R736 CarbonylContact O-C 3.51Å; P702-R736 VanDerWaalsContact O-CA 3.26Å; P702-R736 WeakPolarHBondContact O-CA 3.5Å; E703-R736 HydrophobicContact CB-CG 3.88Å; E703-R736 HydrophobicContact CG-CG 3.98Å; E703-R736 IonicContact OE2-NE 3.08Å
737	L	67.4	Low	70.8	Confident	41 Å²	41	84.7 Å²	84.7	22%	0.215	42%	0.421	C	S	.	.			trans	-134.6	143.1	-167.5	-65.9	165.9	0	0	0	110.8	P702 A735 D739 L742 L743	P702-L737 PolarHBondContact O-N 2.86Å; A735-L737 HydrophobicContact CB-CD1 3.59Å; A735-L737 HydrophobicContact CB-CG 3.77Å; L737-D739 VanDerWaalsContact C-N 3.27Å; L737-D739 WeakPolarHBondContact CB-O 3.43Å; L737-L742 HydrophobicContact CD1-CB 3.87Å; L737-L742 WeakPolarHBondContact CD1-O 3.43Å; L737-L742 HydrophobicContact CD2-CB 4.01Å; L737-L742 HydrophobicContact CG-CB 4.38Å; L737-L743 HydrophobicContact CD1-CB 4.26Å; L737-L743 HydrophobicContact CD1-CD1 4.23Å
738	A	65.3	Low	70	Confident	59 Å²	59	87.3 Å²	87.3	49%	0.488	43%	0.433	S	S	.	.	S	Bend	trans	-68.6	-28.7	171.8	0	0	0	0	0	112.1
739	D	68.6	Low	69.5	Low	62 Å²	62	92.5 Å²	92.5	33%	0.332	45%	0.452	S	S	.	.	S	Bend	trans	-121.1	120.7	178.4	-176.3	-3.4	0	0	0	110	L737 N741 L742	L737-D739 VanDerWaalsContact C-N 3.27Å; L737-D739 WeakPolarHBondContact CB-O 3.43Å; D739-N741 PolarHBondContact O-N 3.38Å; D739-N741 VanDerWaalsContact O-N 3.07Å; D739-N741 VanDerWaalsContact OD1-CB 3.28Å; D739-N741 WeakPolarHBondContact OD1-CB 3.43Å; D739-N741 VanDerWaalsContact OD1-CG 3.24Å; D739-N741 PolarHBondContact OD1-N 2.9Å; D739-N741 PolarHBondContact OD1-ND2 2.75Å; D739-L742 HydrophobicContact CB-CD1 3.86Å; D739-L742 HydrophobicContact CB-CG 4.06Å; D739-L742 PolarHBondContact O-N 2.99Å; D739-L742 VanDerWaalsContact O-N 3.12Å
740	P	67.2	Low	69.2	Low	77 Å²	77	95.4 Å²	95.4	50%	0.5	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-56.4	-17.8	172.5	-21.8	31.1	0	0	0	115.1	L704 L742	L704-P740 HydrophobicContact CD1-CB 3.88Å; L704-P740 HydrophobicContact CD1-CG 3.97Å; P740-L742 VanDerWaalsContact C-N 3.34Å
741	N	70.2	Confident	69	Low	140 Å²	140	95 Å²	95	75%	0.749	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-79.7	-13.5	179	-56.5	-43.7	0	0	0	113.6	D739 L743	D739-N741 PolarHBondContact O-N 3.38Å; D739-N741 VanDerWaalsContact O-N 3.07Å; D739-N741 VanDerWaalsContact OD1-CB 3.28Å; D739-N741 WeakPolarHBondContact OD1-CB 3.43Å; D739-N741 VanDerWaalsContact OD1-CG 3.24Å; D739-N741 PolarHBondContact OD1-N 2.9Å; D739-N741 PolarHBondContact OD1-ND2 2.75Å; N741-L743 PolarHBondContact O-N 2.88Å
742	L	65	Low	68.9	Low	106 Å²	106	97.1 Å²	97.1	56%	0.555	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-85.3	8.8	178.5	-68.5	169.3	0	0	0	113.4	L737 D739 P740 E744	L737-L742 HydrophobicContact CD1-CB 3.87Å; L737-L742 WeakPolarHBondContact CD1-O 3.43Å; L737-L742 HydrophobicContact CD2-CB 4.01Å; L737-L742 HydrophobicContact CG-CB 4.38Å; D739-L742 HydrophobicContact CB-CD1 3.86Å; D739-L742 HydrophobicContact CB-CG 4.06Å; D739-L742 PolarHBondContact O-N 2.99Å; D739-L742 VanDerWaalsContact O-N 3.12Å; P740-L742 VanDerWaalsContact C-N 3.34Å; L742-E744 PolarHBondContact O-N 3.38Å
743	L	65.6	Low	69	Low	29 Å²	29	97 Å²	97	15%	0.152	48%	0.476	C	S	.	.			trans	-74.5	96.2	-177.5	-167	79.8	0	0	0	110.9	K706 C733 A735 L737 N741	K706-L743 HydrophobicContact CB-CD2 3.52Å; K706-L743 HydrophobicContact CD-CD2 4.39Å; C733-L743 HydrophobicContact CB-CD1 4.31Å; C733-L743 HydrophobicContact CB-CD2 3.64Å; C733-L743 HydrophobicContact CB-CG 3.67Å; A735-L743 HydrophobicContact CB-CD1 3.87Å; L737-L743 HydrophobicContact CD1-CB 4.26Å; L737-L743 HydrophobicContact CD1-CD1 4.23Å; N741-L743 PolarHBondContact O-N 2.88Å
744	E	63	Low	69.2	Low	179 Å²	179	101 Å²	101	84%	0.836	49%	0.49	S	S	*	.			trans	-70.8	147.5	177.9	-71.9	-172.5	167.9	0	0	113.9	C733 L742 G746	C733-E744 WeakPolarHBondContact CB-O 3.34Å; L742-E744 PolarHBondContact O-N 3.38Å; E744-G746 PolarHBondContact O-N 3Å
745	V	59.9	Low	69.3	Low	89 Å²	89	94 Å²	94	54%	0.539	46%	0.46	S	S	.	.			trans	-82.3	112.2	-167.3	-176	0	0	0	0	112.5	Y731 C733	Y731-V745 HydrophobicContact CD1-CG1 3.46Å; Y731-V745 VanDerWaalsContact CD1-CG1 3.46Å; Y731-V745 HydrophobicContact CD2-CG1 3.87Å; Y731-V745 HydrophobicContact CE1-CG1 4.29Å; Y731-V745 HydrophobicContact CG-CG1 3.21Å; C733-V745 VanDerWaalsContact SG-CA 3.53Å
746	G	61.2	Low	69.2	Low	29 Å²	29	94.6 Å²	94.6	30%	0.299	46%	0.462	S	S	.	.			trans	-87.8	170.1	177.8	0	0	0	0	0	115.3	Y731 T732 E744	Y731-G746 WeakPolarHBondContact CB-O 3.38Å; T732-G746 PolarHBondContact N-O 3.2Å; T732-G746 CarbonylContact O-C 3.49Å; T732-G746 VanDerWaalsContact O-CA 3.23Å; T732-G746 WeakPolarHBondContact O-CA 3.45Å; T732-G746 PolarHBondContact O-N 3.42Å; E744-G746 PolarHBondContact O-N 3Å
747	R	58.3	Low	68.8	Low	228 Å²	228	89 Å²	89	86%	0.86	45%	0.45	S	S	*	.			trans	10.2	116.1	176.8	-106.8	-178.5	174.8	173.4	-1.6	118.1
748	Q	69.4	Low	68.5	Low	103 Å²	103	92.4 Å²	92.4	48%	0.481	47%	0.468	S	S	.	.			trans	-75.6	138	173.9	177	-175.4	-11.1	0	0	112.7	F729 Y731 I750	F729-Q748 HydrophobicContact CD1-CG 4.06Å; Y731-Q748 HydrophobicContact CD1-CB 4.31Å; Y731-Q748 HydrophobicContact CE1-CB 3.95Å; Y731-Q748 HydrophobicContact CE1-CG 4.39Å; Q748-I750 HydrophobicContact CG-CG1 4.1Å
749	R	75.9	Confident	68.1	Low	169 Å²	169	93.4 Å²	93.4	64%	0.638	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.2	162.1	-76.6	-173.3	174	-170.6	-1.7	110.2	W710 F729 R730	W710-R749 HydrophobicContact CH2-CB 4.24Å; W710-R749 HydrophobicContact CZ3-CB 4.5Å; F729-R749 CarbonylContact C-O 3.52Å; F729-R749 WeakPolarHBondContact CA-O 3.49Å; R730-R749 HydrophobicContact CG-CB 3.89Å; R730-R749 PolarHBondContact N-O 3.44Å; R730-R749 VanDerWaalsContact N-O 3.15Å; R730-R749 PolarHBondContact O-N 3.3Å
750	I	76.9	Confident	67.6	Low	101 Å²	101	96.5 Å²	96.5	52%	0.518	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.1	-174.7	-56	167.4	0	0	0	110.4	R728 F729 Q748	R728-I750 WeakPolarHBondContact O-CA 3.27Å; F729-I750 HydrophobicContact CD1-CG1 3.87Å; F729-I750 HydrophobicContact CE1-CG1 3.94Å; F729-I750 HydrophobicContact CE1-CG2 4.34Å; Q748-I750 HydrophobicContact CG-CG1 4.1Å
751	E	81.5	Confident	67.1	Low	60 Å²	60	96.4 Å²	96.4	28%	0.28	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.9	173.9	-168.1	-179.7	163	0	0	110.7	W710 W713 Q727 R728	W710-E751 HydrophobicContact CH2-CB 4.42Å; W710-E751 HydrophobicContact CZ3-CB 4.22Å; W713-E751 HydrophobicContact CH2-CB 4.43Å; W713-E751 HydrophobicContact CH2-CG 3.88Å; Q727-E751 CarbonylContact C-O 3.34Å; Q727-E751 WeakPolarHBondContact CA-O 3.46Å; R728-E751 HydrophobicContact CG-CB 3.87Å; R728-E751 IonicContact CZ-OE1 3.12Å; R728-E751 IonicContact CZ-OE2 2.71Å; R728-E751 PolarHBondContact N-O 2.87Å; R728-E751 VanDerWaalsContact NE-CD 3.31Å; R728-E751 IonicContact NE-OE1 3.8Å; R728-E751 IonicContact NE-OE2 2.81Å; R728-E751 PolarHBondContact NE-OE2 2.69Å; R728-E751 IonicContact NH2-OE1 2.91Å; R728-E751 PolarHBondContact NH2-OE1 3.04Å; R728-E751 IonicContact NH2-OE2 3.4Å; R728-E751 PolarHBondContact NH2-OE2 3.16Å; R728-E751 PolarHBondContact O-N 2.81Å
752	M	74	Confident	66.8	Low	125 Å²	125	93 Å²	93	62%	0.616	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.3	-172.8	-62.6	-169.2	-59.4	0	0	113.5	E726 Q727	E726-M752 CarbonylContact O-C 3.59Å; E726-M752 VanDerWaalsContact O-CA 3.25Å; E726-M752 WeakPolarHBondContact O-CA 3.36Å; Q727-M752 HydrophobicContact CB-CG 4.25Å
753	R	76.2	Confident	66.9	Low	69 Å²	69	90.2 Å²	90.2	26%	0.26	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157	173	69.3	-178	-176	169.6	2.1	112.4	W713 Y725 E726 C763 T765	W713-R753 HydrophobicContact CD2-CG 4.1Å; W713-R753 HydrophobicContact CE3-CB 4.43Å; W713-R753 HydrophobicContact CE3-CG 3.67Å; W713-R753 HydrophobicContact CH2-CB 4.01Å; W713-R753 HydrophobicContact CH2-CG 4.07Å; W713-R753 HydrophobicContact CZ2-CG 4.47Å; W713-R753 HydrophobicContact CZ3-CB 3.91Å; W713-R753 HydrophobicContact CZ3-CG 3.66Å; Y725-R753 CarbonylContact C-O 3.56Å; Y725-R753 WeakPolarHBondContact CA-O 3.19Å; E726-R753 HydrophobicContact CB-CG 3.84Å; E726-R753 PolarHBondContact N-O 2.99Å; E726-R753 PolarHBondContact O-N 2.93Å; E726-R753 IonicContact OE1-NH2 3.06Å; E726-R753 IonicContact OE2-CZ 2.86Å; E726-R753 IonicContact OE2-NE 3.88Å; E726-R753 PolarHBondContact OE2-NE 3.22Å; E726-R753 IonicContact OE2-NH2 2.79Å; E726-R753 PolarHBondContact OE2-NH2 2.88Å; R753-C763 HydrophobicContact CG-CB 4.25Å; R753-T765 HydrophobicContact CB-CG2 3.94Å
754	Y	74.2	Confident	66.7	Low	98 Å²	98	91.9 Å²	91.9	38%	0.384	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.6	177.1	178.4	-99.7	0	0	0	111.8	Y725 C763 S764	Y725-Y754 HydrophobicContact CD1-CD2 4.01Å; Y725-Y754 HydrophobicContact CD2-CD2 4.23Å; Y725-Y754 AromaticContact CE1-CD2 3.69Å; Y725-Y754 HydrophobicContact CE1-CD2 3.69Å; Y725-Y754 HydrophobicContact CE1-CG 4.31Å; Y725-Y754 AromaticContact CE2-CD2 3.93Å; Y725-Y754 HydrophobicContact CE2-CD2 3.93Å; Y725-Y754 HydrophobicContact CE2-CE2 4.2Å; Y725-Y754 HydrophobicContact CG-CD2 4.28Å; Y725-Y754 AromaticContact CZ-CD2 3.64Å; Y754-C763 CarbonylContact O-C 3.42Å; Y754-C763 WeakPolarHBondContact O-CA 3.47Å; Y754-C763 WeakPolarHBondContact O-CB 3.32Å; Y754-S764 PolarHBondContact N-O 3.18Å; Y754-S764 PolarHBondContact O-N 2.63Å
755	C	74.8	Confident	66.5	Low	4 Å²	4	87.2 Å²	87.2	3%	0.027	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.9	-179.6	-55.7	0	0	0	0	110.4	G723 H724 E726 C763	G723-C755 CarbonylContact C-O 3.51Å; G723-C755 VanDerWaalsContact CA-O 3.28Å; G723-C755 WeakPolarHBondContact CA-O 3.19Å; H724-C755 VanDerWaalsContact CE1-CB 3.49Å; H724-C755 WeakPolarHBondContact CE1-CB 3.34Å; H724-C755 PolarHBondContact N-O 2.81Å; H724-C755 WeakPolarHBondContact O-CB 3.42Å; H724-C755 PolarHBondContact O-N 3.16Å; E726-C755 PolarHBondContact OE1-SG 2.84Å; C755-C763 HydrophobicContact CB-CB 4.12Å; C755-C763 WeakPolarHBondContact CB-SG 3.08Å; C755-C763 WeakPolarHBondContact SG-CB 3.16Å; C755-C763 CovalentContact SG-SG 2.04Å; C755-C763 PolarHBondContact SG-SG 3.46Å
756	S	67.9	Low	65.8	Low	44 Å²	44	89.5 Å²	89.5	31%	0.308	50%	0.5	S	S	.	.			trans	-84.9	150.2	-178.7	-168.7	0	0	0	0	112.8	D758	S756-D758 VanDerWaalsContact C-N 3.29Å; S756-D758 PolarHBondContact O-N 3.18Å
757	S	62.5	Low	64.7	Low	58 Å²	58	91.2 Å²	91.2	41%	0.406	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.3	178.8	53.7	0	0	0	0	114.4	N721 G722 G759	N721-S757 VanDerWaalsContact O-CB 3.3Å; N721-S757 WeakPolarHBondContact O-CB 3.47Å; N721-S757 PolarHBondContact O-OG 3.48Å; G722-S757 VanDerWaalsContact C-CB 3.46Å; G722-S757 WeakPolarHBondContact O-CA 3.3Å; G722-S757 WeakPolarHBondContact O-CB 3.25Å; S757-G759 PolarHBondContact O-N 3.18Å; S757-G759 VanDerWaalsContact O-N 3.15Å
758	D	61.4	Low	63.6	Low	112 Å²	112	89 Å²	89	60%	0.599	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	11.3	-161.9	-66.9	-9.9	0	0	0	114.2	S756 T760	S756-D758 VanDerWaalsContact C-N 3.29Å; S756-D758 PolarHBondContact O-N 3.18Å; D758-T760 WeakPolarHBondContact O-CB 3.48Å; D758-T760 VanDerWaalsContact O-CG2 3.28Å; D758-T760 WeakPolarHBondContact O-CG2 3.38Å; D758-T760 PolarHBondContact O-N 3.3Å; D758-T760 PolarHBondContact O-OG1 2.9Å
759	G	57.2	Low	61.8	Low	79 Å²	79	90 Å²	90	81%	0.814	54%	0.54	S	S	*	.	S	Bend	trans	57.7	-0	172.3	0	0	0	0	0	116.5	S757	S757-G759 PolarHBondContact O-N 3.18Å; S757-G759 VanDerWaalsContact O-N 3.15Å
760	T	58.3	Low	59.6	Low	128 Å²	128	85.1 Å²	85.1	79%	0.785	54%	0.543	S	S	*	.	S	Bend	trans	-109.6	-7.9	-166.7	42.5	0	0	0	0	112.5	D758	D758-T760 WeakPolarHBondContact O-CB 3.48Å; D758-T760 VanDerWaalsContact O-CG2 3.28Å; D758-T760 WeakPolarHBondContact O-CG2 3.38Å; D758-T760 PolarHBondContact O-N 3.3Å; D758-T760 PolarHBondContact O-OG1 2.9Å
761	S	55	Low	57.6	Low	74 Å²	74	87.6 Å²	87.6	52%	0.517	56%	0.558	S	S	.	*	S	Bend	trans	-137.4	125.6	172.5	50.5	0	0	0	0	110.5
762	G	64.3	Low	55.2	Low	69 Å²	69	94 Å²	94	71%	0.711	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-62.9	163.6	176	0	0	0	0	0	112.7	S764	G762-S764 PolarHBondContact O-N 3.11Å
763	C	67.4	Low	53.2	Low	48 Å²	48	94.2 Å²	94.2	32%	0.324	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-60.9	120.9	-177.8	-52.2	0	0	0	0	111.4	R753 Y754 C755	R753-C763 HydrophobicContact CG-CB 4.25Å; Y754-C763 CarbonylContact O-C 3.42Å; Y754-C763 WeakPolarHBondContact O-CA 3.47Å; Y754-C763 WeakPolarHBondContact O-CB 3.32Å; C755-C763 HydrophobicContact CB-CB 4.12Å; C755-C763 WeakPolarHBondContact CB-SG 3.08Å; C755-C763 WeakPolarHBondContact SG-CB 3.16Å; C755-C763 CovalentContact SG-SG 2.04Å; C755-C763 PolarHBondContact SG-SG 3.46Å
764	S	61.5	Low	51	Low	63 Å²	63	102 Å²	102	44%	0.441	62%	0.617	S	S	.	*	B	Isolated β-bridge	trans	-93.1	131.6	-179.5	-174.2	0	0	0	0	111.1	Y754 G762 D766	Y754-S764 PolarHBondContact N-O 3.18Å; Y754-S764 PolarHBondContact O-N 2.63Å; G762-S764 PolarHBondContact O-N 3.11Å; S764-D766 VanDerWaalsContact C-N 3.35Å; S764-D766 PolarHBondContact OG-N 2.92Å; S764-D766 PolarHBondContact OG-O 3.39Å
765	T	58.8	Low	48.9	Very low	82 Å²	82	101.9 Å²	101.9	50%	0.503	64%	0.636	S	S	.	*			trans	-87.4	-8.8	165.2	47.8	0	0	0	0	112.3	R753	R753-T765 HydrophobicContact CB-CG2 3.94Å
766	D	46.1	Very low	46.8	Very low	136 Å²	136	105.4 Å²	105.4	73%	0.727	67%	0.673	S	S	*	*			trans	-112.1	93.8	-163.2	-66.3	0.7	0	0	0	109.4	S764	S764-D766 VanDerWaalsContact C-N 3.35Å; S764-D766 PolarHBondContact OG-N 2.92Å; S764-D766 PolarHBondContact OG-O 3.39Å
767	G	36.4	Very low	44.9	Very low	66 Å²	66	112.9 Å²	112.9	68%	0.68	70%	0.695	S	S	*	*	S	Bend	trans	162.3	65	173.6	0	0	0	0	0	113.3
768	L	36.1	Very low	43.5	Very low	180 Å²	180	119 Å²	119	94%	0.942	71%	0.71	S	S	*	*			trans	174.2	65.6	140.5	-88.6	162.4	0	0	0	110.7
769	S	31.2	Very low	42.3	Very low	124 Å²	124	119.1 Å²	119.1	87%	0.867	72%	0.72	S	S	*	*			trans	-114.4	119.9	150.5	47.9	0	0	0	0	107.1
770	G	30.5	Very low	41.6	Very low	67 Å²	67	119.6 Å²	119.6	69%	0.691	72%	0.716	S	S	*	*	S	Bend	trans	123.5	110.2	168.9	0	0	0	0	0	114.7
771	D	34	Very low	41.6	Very low	154 Å²	154	120.6 Å²	120.6	82%	0.824	71%	0.712	S	S	*	*			trans	3.1	128.3	142.8	-64	-42.6	0	0	0	116.8
772	F	30.9	Very low	41.6	Very low	193 Å²	193	121.7 Å²	121.7	85%	0.846	72%	0.715	S	S	*	*			trans	-170.6	105.4	143.7	-107.5	-86.4	0	0	0	111.1
773	L	33	Very low	42.1	Very low	131 Å²	131	120.7 Å²	120.7	69%	0.686	70%	0.695	S	S	*	*			trans	65	116.3	134	-56.7	-173.5	0	0	0	123.3
774	R	29.2	Very low	42.8	Very low	233 Å²	233	122.8 Å²	122.8	88%	0.879	70%	0.703	S	S	*	*				40.1	128.4	97.1	-145.3	179.1	-166.5	-179.5	3.5	118.1
775	A	31.1	Very low	43.8	Very low	95 Å²	95	120.5 Å²	120.5	79%	0.785	69%	0.689	S	S	*	*			trans	74.4	113.1	162.3	0	0	0	0	0	115.1
776	G	29.7	Very low	44.9	Very low	78 Å²	78	118.5 Å²	118.5	80%	0.804	68%	0.682	S	S	*	*				82.9	123.1	86.7	0	0	0	0	0	108
777	R	29.1	Very low	47	Very low	201 Å²	201	114.9 Å²	114.9	76%	0.758	66%	0.658	S	S	*	*			cis	172.9	152.7	44.2	-160.1	169.7	-175.4	-165.3	5.6	103.9
778	Y	32.4	Very low	49.5	Very low	185 Å²	185	112.9 Å²	112.9	73%	0.725	63%	0.634	S	S	*	*			trans	100.2	119.4	160.6	-49.7	-68.6	0	0	0	120.6
779	S	37.1	Very low	52	Low	116 Å²	116	108.4 Å²	108.4	81%	0.811	62%	0.623	S	S	*	*			trans	83.4	76.3	148.2	-78.4	0	0	0	0	122
780	A	41.9	Very low	54.9	Low	88 Å²	88	106.1 Å²	106.1	73%	0.727	60%	0.595	S	S	*	*				52.3	82.8	116.2	0	0	0	0	0	119
781	H	57.3	Low	57.7	Low	150 Å²	150	106.7 Å²	106.7	69%	0.694	59%	0.585	S	S	*	*			trans	171.4	5.4	133.9	-91.5	-62.4	0	0	0	114.3	Y818	H781-Y818 HydrophobicContact CB-CG 4.49Å; H781-Y818 WeakPolarHBondContact O-CB 3.47Å; H781-Y818 WeakPolarHBondContact O-CD2 3.1Å
782	T	55.8	Low	60.3	Low	97 Å²	97	104.7 Å²	104.7	60%	0.595	58%	0.583	S	S	*	*			trans	-71.4	135.6	-177.9	65.4	0	0	0	0	113.9	Y818	T782-Y818 WeakPolarHBondContact CG2-O 3.27Å
783	V	74.5	Confident	63.2	Low	47 Å²	47	98.7 Å²	98.7	29%	0.285	56%	0.555	S	S	.	*	B	Isolated β-bridge	trans	-116.7	110.1	176	-179.7	0	0	0	0	108.2	P814 P816 K817 Y818 G820	V783-P814 HydrophobicContact CG1-CB 3.87Å; V783-P814 HydrophobicContact CG1-CG 3.59Å; V783-P816 CarbonylContact O-C 3.54Å; V783-P816 VanDerWaalsContact O-CA 3.25Å; V783-P816 WeakPolarHBondContact O-CA 3.41Å; V783-K817 HydrophobicContact CB-CB 3.97Å; V783-K817 HydrophobicContact CG2-CB 4.2Å; V783-K817 PolarHBondContact N-O 3.27Å; V783-K817 PolarHBondContact O-N 3.23Å; V783-Y818 HydrophobicContact CG2-CD2 4.26Å; V783-G820 WeakPolarHBondContact O-CA 3.05Å
784	N	81.3	Confident	65.8	Low	92 Å²	92	94.5 Å²	94.5	49%	0.492	54%	0.537	S	S	.	.			trans	-72.4	140.6	177.4	-67.9	-31.8	0	0	0	111.2	G820 M821	N784-G820 WeakPolarHBondContact OD1-CA 3.43Å; N784-M821 PolarHBondContact OD1-N 2.92Å
785	G	82.3	Confident	68.5	Low	15 Å²	15	92.3 Å²	92.3	16%	0.155	54%	0.536	C	S	.	.			trans	-65.7	133.8	174.8	0	0	0	0	0	112	P814 M821	G785-P814 CarbonylContact C-O 3.57Å; G785-P814 VanDerWaalsContact CA-O 3.27Å; G785-P814 WeakPolarHBondContact CA-O 3.37Å; G785-M821 PolarHBondContact N-O 2.96Å
786	A	83.4	Confident	71.2	Confident	41 Å²	41	89.3 Å²	89.3	34%	0.339	51%	0.51	S	S	.	.			trans	-127.8	148.8	165.9	0	0	0	0	0	112.5	N812 N813 P814	A786-N812 PolarHBondContact O-N 2.89Å; A786-N813 WeakPolarHBondContact CB-O 3.26Å; A786-N813 CarbonylContact O-C 3.57Å; A786-N813 PolarHBondContact O-N 2.97Å; A786-P814 PolarHBondContact N-O 2.8Å
787	W	90.1	Very high	73.9	Confident	59 Å²	59	89.4 Å²	89.4	22%	0.223	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-67.7	141.1	-175.9	-71.6	113.9	0	0	0	111.7	R809 C811 C823 L824 G825	W787-R809 HydrophobicContact CD2-CG 4.08Å; W787-R809 HydrophobicContact CE3-CB 4.29Å; W787-R809 HydrophobicContact CE3-CG 3.57Å; W787-R809 HydrophobicContact CZ3-CG 3.96Å; W787-C811 HydrophobicContact CE3-CB 4.28Å; W787-C811 HydrophobicContact CZ3-CB 4.13Å; W787-C823 HydrophobicContact CD2-CB 3.66Å; W787-C823 HydrophobicContact CE3-CB 4.11Å; W787-C823 HydrophobicContact CG-CB 4.17Å; W787-C823 HydrophobicContact CH2-CB 3.92Å; W787-C823 HydrophobicContact CZ2-CB 3.42Å; W787-C823 VanDerWaalsContact CZ2-CB 3.42Å; W787-C823 HydrophobicContact CZ3-CB 4.24Å; W787-L824 PolarHBondContact NE1-O 2.84Å; W787-G825 WeakPolarHBondContact CZ2-O 3.26Å
788	S	88.7	Confident	76.1	Confident	25 Å²	25	86.1 Å²	86.1	18%	0.175	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-61	164.2	162.1	77.2	0	0	0	0	110.8	V810 N812	S788-V810 WeakPolarHBondContact CB-O 3.46Å; S788-V810 PolarHBondContact N-O 2.78Å; S788-V810 WeakPolarHBondContact OG-CG2 3.34Å; S788-V810 PolarHBondContact OG-N 3.04Å; S788-V810 PolarHBondContact OG-O 3.44Å; S788-N812 VanDerWaalsContact CB-OD1 3.32Å; S788-N812 WeakPolarHBondContact CB-OD1 3.49Å
789	A	89	Confident	78.3	Confident	86 Å²	86	84.6 Å²	84.6	71%	0.711	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-55.2	147.9	161.3	0	0	0	0	0	110.3
790	W	92.1	Very high	80.4	Confident	75 Å²	75	80.6 Å²	80.6	28%	0.284	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-65.3	141.6	171.8	-73.6	104.5	0	0	0	110.6	R807 K808 R809 E829	W790-R807 HydrophobicContact CD2-CG 4.21Å; W790-R807 HydrophobicContact CE3-CB 4.31Å; W790-R807 HydrophobicContact CE3-CG 3.68Å; W790-R807 HydrophobicContact CZ3-CG 4.12Å; W790-R807 WeakPolarHBondContact CZ3-O 3.44Å; W790-K808 VanDerWaalsContact CE3-C 3.45Å; W790-R809 HydrophobicContact CD2-CB 3.97Å; W790-R809 HydrophobicContact CD2-CG 4.06Å; W790-R809 HydrophobicContact CE3-CB 3.72Å; W790-R809 HydrophobicContact CE3-CG 3.76Å; W790-R809 HydrophobicContact CH2-CG 3.7Å; W790-R809 HydrophobicContact CZ2-CG 4.01Å; W790-R809 HydrophobicContact CZ3-CB 4.04Å; W790-R809 HydrophobicContact CZ3-CG 3.56Å; W790-E829 HydrophobicContact CH2-CB 3.86Å; W790-E829 HydrophobicContact CZ2-CB 4.48Å; W790-E829 HydrophobicContact CZ3-CB 4.05Å
791	T	89.6	Confident	82	Confident	79 Å²	79	78.4 Å²	78.4	49%	0.485	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-64.8	161.7	165.5	50.3	0	0	0	0	111	R807 K808	T791-R807 WeakPolarHBondContact O-CB 3.48Å; T791-K808 WeakPolarHBondContact CB-O 3.44Å; T791-K808 WeakPolarHBondContact CG2-O 3.29Å; T791-K808 PolarHBondContact N-O 2.88Å; T791-K808 WeakPolarHBondContact OG1-CA 3.22Å; T791-K808 PolarHBondContact OG1-N 2.85Å; T791-K808 PolarHBondContact OG1-O 2.83Å
792	S	88.7	Confident	83	Confident	113 Å²	113	79.3 Å²	79.3	79%	0.79	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-59.9	147.5	171.3	-61.1	0	0	0	0	110.6
793	W	90.5	Very high	84.3	Confident	66 Å²	66	74.7 Å²	74.7	25%	0.25	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-59.6	140.5	173.5	-72.9	106.4	0	0	0	111.3	R805 N806 R807 E829 Q831	W793-R805 HydrophobicContact CD2-CG 4.19Å; W793-R805 HydrophobicContact CE3-CB 4.29Å; W793-R805 HydrophobicContact CE3-CG 3.7Å; W793-R805 HydrophobicContact CZ3-CG 4.26Å; W793-R805 WeakPolarHBondContact CZ3-O 3.41Å; W793-N806 CarbonylContact C-O 3.54Å; W793-N806 WeakPolarHBondContact CA-O 3.27Å; W793-N806 VanDerWaalsContact CE3-C 3.41Å; W793-R807 HydrophobicContact CD2-CB 4.07Å; W793-R807 HydrophobicContact CD2-CG 4.04Å; W793-R807 HydrophobicContact CE3-CB 3.9Å; W793-R807 HydrophobicContact CE3-CG 3.88Å; W793-R807 HydrophobicContact CH2-CG 3.79Å; W793-R807 HydrophobicContact CZ2-CG 3.94Å; W793-R807 HydrophobicContact CZ3-CB 4.23Å; W793-R807 HydrophobicContact CZ3-CG 3.76Å; W793-E829 HydrophobicContact CH2-CB 4.29Å; W793-E829 HydrophobicContact CH2-CG 3.92Å; W793-E829 WeakPolarHBondContact CZ3-O 3.31Å; W793-Q831 HydrophobicContact CE3-CB 4.43Å; W793-Q831 HydrophobicContact CH2-CB 3.58Å; W793-Q831 HydrophobicContact CZ2-CB 4.16Å; W793-Q831 HydrophobicContact CZ3-CB 3.73Å
794	S	88.7	Confident	84.8	Confident	43 Å²	43	76.8 Å²	76.8	30%	0.301	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-62.5	163.7	170.8	75.3	0	0	0	0	111.5	R805 N806	S794-R805 WeakPolarHBondContact O-CB 3.1Å; S794-R805 WeakPolarHBondContact OG-CA 3.46Å; S794-N806 PolarHBondContact N-O 2.73Å; S794-N806 PolarHBondContact OG-N 3.12Å
795	Q	86.1	Confident	85.2	Confident	187 Å²	187	76.3 Å²	76.3	87%	0.874	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-56	149.5	164.1	-68.3	-172.7	-12.4	0	0	110.3
796	C	87.8	Confident	85.5	Confident	33 Å²	33	78.3 Å²	78.3	22%	0.223	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-66.6	137.9	175.9	-165.5	0	0	0	0	109.3	R798 G803 C833 N834	C796-R798 PolarHBondContact O-N 3.1Å; C796-R798 VanDerWaalsContact O-N 3.16Å; C796-R798 PolarHBondContact SG-O 3.4Å; C796-G803 VanDerWaalsContact SG-CA 3.59Å; C796-C833 WeakPolarHBondContact CA-SG 3.2Å; C796-C833 HydrophobicContact CB-CB 3.94Å; C796-C833 WeakPolarHBondContact CB-SG 3.46Å; C796-C833 WeakPolarHBondContact SG-CB 3.44Å; C796-C833 CovalentContact SG-SG 2.02Å; C796-C833 PolarHBondContact SG-SG 3Å; C796-N834 PolarHBondContact SG-ND2 2.93Å
797	S	85.3	Confident	86	Confident	80 Å²	80	79.2 Å²	79.2	56%	0.559	41%	0.412	S	S	*	.	S	Bend	trans	-67.9	-12.3	-178.5	69.8	0	0	0	0	114.8	G803 I804	S797-G803 WeakPolarHBondContact OG-CA 3.47Å; S797-I804 WeakPolarHBondContact CB-O 3.13Å; S797-I804 PolarHBondContact N-O 2.9Å; S797-I804 PolarHBondContact OG-N 2.9Å
798	R	76.7	Confident	86	Confident	132 Å²	132	82.4 Å²	82.4	50%	0.498	43%	0.427	S	S	.	.			trans	-148.7	143.2	179.2	-54.4	-176.4	77.4	176.4	7.8	110.4	C796 C800 S801 N834	C796-R798 PolarHBondContact O-N 3.1Å; C796-R798 VanDerWaalsContact O-N 3.16Å; C796-R798 PolarHBondContact SG-O 3.4Å; R798-C800 VanDerWaalsContact C-N 3.32Å; R798-C800 WeakPolarHBondContact CB-O 2.81Å; R798-S801 PolarHBondContact NH1-O 3.05Å; R798-N834 WeakPolarHBondContact O-CB 3.45Å; R798-N834 PolarHBondContact O-ND2 3.35Å
799	D	78.5	Confident	86.2	Confident	152 Å²	152	83.2 Å²	83.2	81%	0.813	43%	0.426	S	S	*	.	S	Bend	trans	-76.7	-20	176.5	-60.3	-40.5	0	0	0	113.2
800	C	80.8	Confident	86.2	Confident	33 Å²	33	83.1 Å²	83.1	22%	0.223	42%	0.416	C	S	.	.	S	Bend	trans	-153.2	165.2	177.5	51.2	0	0	0	0	110	R798 C838	R798-C800 VanDerWaalsContact C-N 3.32Å; R798-C800 WeakPolarHBondContact CB-O 2.81Å; C800-C838 HydrophobicContact CB-CB 3.94Å; C800-C838 WeakPolarHBondContact CB-SG 3.24Å; C800-C838 VanDerWaalsContact SG-CA 3.58Å; C800-C838 WeakPolarHBondContact SG-CB 3.48Å; C800-C838 CovalentContact SG-SG 2.02Å; C800-C838 PolarHBondContact SG-SG 2.84Å
801	S	74.8	Confident	86	Confident	41 Å²	41	81.4 Å²	81.4	29%	0.287	42%	0.415	S	S	.	.	S	Bend	trans	61	55.6	177.8	-53.4	0	0	0	0	114.9	R798 N834 L836 C838	R798-S801 PolarHBondContact NH1-O 3.05Å; S801-N834 PolarHBondContact N-O 3.44Å; S801-L836 PolarHBondContact N-O 2.57Å; S801-C838 PolarHBondContact OG-N 2.97Å; S801-C838 PolarHBondContact OG-SG 2.72Å
802	R	79.4	Confident	85.8	Confident	170 Å²	170	82.1 Å²	82.1	64%	0.642	42%	0.416	S	S	*	.			trans	59.8	84.7	172.1	-64	-179	170	179	-4.8	113.7	N834 I835	R802-N834 PolarHBondContact N-O 3.46Å; R802-I835 HydrophobicContact CG-CG2 4.38Å
803	G	82.7	Confident	85.4	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	170.7	165.9	0	0	0	0	0	112.9	C796 S797 E832 C833	C796-G803 VanDerWaalsContact SG-CA 3.59Å; S797-G803 WeakPolarHBondContact OG-CA 3.47Å; G803-E832 CarbonylContact O-C 3.5Å; G803-E832 WeakPolarHBondContact O-CA 3.49Å; G803-C833 VanDerWaalsContact C-SG 3.5Å; G803-C833 PolarHBondContact N-O 3.07Å; G803-C833 PolarHBondContact O-N 2.84Å; G803-C833 PolarHBondContact O-SG 3.43Å
804	I	84	Confident	85	Confident	91 Å²	91	81.9 Å²	81.9	47%	0.467	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.4	178.2	-57.4	174.1	0	0	0	108.3	S797 Y830 Q831	S797-I804 WeakPolarHBondContact CB-O 3.13Å; S797-I804 PolarHBondContact N-O 2.9Å; S797-I804 PolarHBondContact OG-N 2.9Å; I804-Y830 HydrophobicContact CG2-CD1 3.85Å; I804-Y830 HydrophobicContact CG2-CG 4.5Å; I804-Q831 CarbonylContact C-O 3.6Å; I804-Q831 WeakPolarHBondContact CA-O 3.33Å
805	R	89.6	Confident	84.7	Confident	82 Å²	82	85.6 Å²	85.6	31%	0.309	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.3	168.7	63	-178.1	-167.3	-179.2	-2.3	110.8	W793 S794 Y830 Q831	W793-R805 HydrophobicContact CD2-CG 4.19Å; W793-R805 HydrophobicContact CE3-CB 4.29Å; W793-R805 HydrophobicContact CE3-CG 3.7Å; W793-R805 HydrophobicContact CZ3-CG 4.26Å; W793-R805 WeakPolarHBondContact CZ3-O 3.41Å; S794-R805 WeakPolarHBondContact O-CB 3.1Å; S794-R805 WeakPolarHBondContact OG-CA 3.46Å; R805-Y830 CarbonylContact O-C 3.6Å; R805-Y830 WeakPolarHBondContact O-CA 3.27Å; R805-Q831 HydrophobicContact CG-CB 4.06Å; R805-Q831 VanDerWaalsContact CZ-OE1 3.24Å; R805-Q831 PolarHBondContact N-O 2.75Å; R805-Q831 PolarHBondContact O-N 2.89Å
806	N	90	Very high	84.6	Confident	56 Å²	56	78.9 Å²	78.9	30%	0.299	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.4	-179.6	68	73.8	0	0	0	113.3	W793 S794 L828 E829 Y830	W793-N806 CarbonylContact C-O 3.54Å; W793-N806 WeakPolarHBondContact CA-O 3.27Å; W793-N806 VanDerWaalsContact CE3-C 3.41Å; S794-N806 PolarHBondContact N-O 2.73Å; S794-N806 PolarHBondContact OG-N 3.12Å; N806-L828 HydrophobicContact CB-CD1 4.42Å; N806-E829 CarbonylContact C-O 3.6Å; N806-E829 WeakPolarHBondContact CA-O 3.5Å; N806-E829 WeakPolarHBondContact CB-O 3.3Å; N806-Y830 HydrophobicContact CB-CD1 3.88Å; N806-Y830 HydrophobicContact CB-CE1 4.04Å
807	R	92.5	Very high	84.1	Confident	61 Å²	61	82.6 Å²	82.6	23%	0.23	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.2	169.3	64.3	177.3	-176.4	-176.2	-6.1	111.1	W790 T791 W793 E829	W790-R807 HydrophobicContact CD2-CG 4.21Å; W790-R807 HydrophobicContact CE3-CB 4.31Å; W790-R807 HydrophobicContact CE3-CG 3.68Å; W790-R807 HydrophobicContact CZ3-CG 4.12Å; W790-R807 WeakPolarHBondContact CZ3-O 3.44Å; T791-R807 WeakPolarHBondContact O-CB 3.48Å; W793-R807 HydrophobicContact CD2-CB 4.07Å; W793-R807 HydrophobicContact CD2-CG 4.04Å; W793-R807 HydrophobicContact CE3-CB 3.9Å; W793-R807 HydrophobicContact CE3-CG 3.88Å; W793-R807 HydrophobicContact CH2-CG 3.79Å; W793-R807 HydrophobicContact CZ2-CG 3.94Å; W793-R807 HydrophobicContact CZ3-CB 4.23Å; W793-R807 HydrophobicContact CZ3-CG 3.76Å; R807-E829 HydrophobicContact CG-CB 4Å; R807-E829 IonicContact CZ-OE2 2.72Å; R807-E829 PolarHBondContact N-O 3.07Å; R807-E829 IonicContact NE-OE2 2.95Å; R807-E829 PolarHBondContact NE-OE2 2.78Å; R807-E829 VanDerWaalsContact NH2-CD 3.33Å; R807-E829 IonicContact NH2-OE1 2.74Å; R807-E829 PolarHBondContact NH2-OE1 3.49Å; R807-E829 IonicContact NH2-OE2 3.76Å; R807-E829 PolarHBondContact NH2-OE2 3.19Å; R807-E829 PolarHBondContact O-N 2.84Å
808	K	91.7	Very high	83.7	Confident	126 Å²	126	86.5 Å²	86.5	55%	0.548	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.4	-175.7	-62.8	-179.5	-175.8	-178.8	0	112.6	W790 T791 S827 L828	W790-K808 VanDerWaalsContact CE3-C 3.45Å; T791-K808 WeakPolarHBondContact CB-O 3.44Å; T791-K808 WeakPolarHBondContact CG2-O 3.29Å; T791-K808 PolarHBondContact N-O 2.88Å; T791-K808 WeakPolarHBondContact OG1-CA 3.22Å; T791-K808 PolarHBondContact OG1-N 2.85Å; T791-K808 PolarHBondContact OG1-O 2.83Å; K808-S827 CarbonylContact C-O 3.49Å; K808-S827 WeakPolarHBondContact CA-O 3.46Å; K808-L828 HydrophobicContact CD-CD1 4.3Å; K808-L828 HydrophobicContact CG-CD1 3.5Å; K808-L828 VanDerWaalsContact CG-CD1 3.5Å
809	R	91.1	Very high	83.5	Confident	42 Å²	42	84 Å²	84	16%	0.158	43%	0.432	C	S	.	.			trans	-138.6	155.4	168.4	61.3	177.6	174.9	-178.6	-0.4	110.4	W787 W790 P826 S827	W787-R809 HydrophobicContact CD2-CG 4.08Å; W787-R809 HydrophobicContact CE3-CB 4.29Å; W787-R809 HydrophobicContact CE3-CG 3.57Å; W787-R809 HydrophobicContact CZ3-CG 3.96Å; W790-R809 HydrophobicContact CD2-CB 3.97Å; W790-R809 HydrophobicContact CD2-CG 4.06Å; W790-R809 HydrophobicContact CE3-CB 3.72Å; W790-R809 HydrophobicContact CE3-CG 3.76Å; W790-R809 HydrophobicContact CH2-CG 3.7Å; W790-R809 HydrophobicContact CZ2-CG 4.01Å; W790-R809 HydrophobicContact CZ3-CB 4.04Å; W790-R809 HydrophobicContact CZ3-CG 3.56Å; R809-P826 VanDerWaalsContact CZ-O 3.23Å; R809-P826 PolarHBondContact NE-O 2.83Å; R809-P826 PolarHBondContact NH2-O 2.87Å; R809-S827 PolarHBondContact N-O 2.83Å; R809-S827 WeakPolarHBondContact O-CB 3.46Å
810	V	89.4	Confident	83.3	Confident	83 Å²	83	77.4 Å²	77.4	50%	0.503	40%	0.399	S	S	.	.			trans	-122.6	151.1	-178.9	-71.1	0	0	0	0	111.1	S788 N812	S788-V810 WeakPolarHBondContact CB-O 3.46Å; S788-V810 PolarHBondContact N-O 2.78Å; S788-V810 WeakPolarHBondContact OG-CG2 3.34Å; S788-V810 PolarHBondContact OG-N 3.04Å; S788-V810 PolarHBondContact OG-O 3.44Å; V810-N812 WeakPolarHBondContact CG2-ND2 3.17Å; V810-N812 PolarHBondContact O-N 3.29Å
811	C	87.8	Confident	83.2	Confident	39 Å²	39	81.5 Å²	81.5	26%	0.264	42%	0.416	S	S	.	.	S	Bend	trans	-89.6	69.3	-176.5	-173.9	0	0	0	0	111.1	W787 C823	W787-C811 HydrophobicContact CE3-CB 4.28Å; W787-C811 HydrophobicContact CZ3-CB 4.13Å; C811-C823 VanDerWaalsContact CA-SG 3.51Å; C811-C823 HydrophobicContact CB-CB 3.78Å; C811-C823 WeakPolarHBondContact CB-SG 3.43Å; C811-C823 WeakPolarHBondContact SG-CB 3.35Å; C811-C823 PolarHBondContact SG-N 2.88Å; C811-C823 CovalentContact SG-SG 2.02Å; C811-C823 PolarHBondContact SG-SG 2.88Å
812	N	85.8	Confident	83.6	Confident	95 Å²	95	84 Å²	84	51%	0.508	43%	0.431	S	S	.	.			trans	-133.9	13.1	-171.2	71.5	-10.8	0	0	0	115	A786 S788 V810 P814	A786-N812 PolarHBondContact O-N 2.89Å; S788-N812 VanDerWaalsContact CB-OD1 3.32Å; S788-N812 WeakPolarHBondContact CB-OD1 3.49Å; V810-N812 WeakPolarHBondContact CG2-ND2 3.17Å; V810-N812 PolarHBondContact O-N 3.29Å; N812-P814 VanDerWaalsContact C-C 3.43Å
813	N	80.2	Confident	83.8	Confident	106 Å²	106	76.9 Å²	76.9	57%	0.567	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	67.1	-173.1	-171.6	41.8	0	0	0	113.9	A786	A786-N813 WeakPolarHBondContact CB-O 3.26Å; A786-N813 CarbonylContact O-C 3.57Å; A786-N813 PolarHBondContact O-N 2.97Å
814	P	82.9	Confident	83.8	Confident	67 Å²	67	83.6 Å²	83.6	44%	0.435	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.1	166.6	-2.3	33.4	-31.2	0	0	0	112.3	V783 G785 A786 N812	V783-P814 HydrophobicContact CG1-CB 3.87Å; V783-P814 HydrophobicContact CG1-CG 3.59Å; G785-P814 CarbonylContact C-O 3.57Å; G785-P814 VanDerWaalsContact CA-O 3.27Å; G785-P814 WeakPolarHBondContact CA-O 3.37Å; A786-P814 PolarHBondContact N-O 2.8Å; N812-P814 VanDerWaalsContact C-C 3.43Å
815	E	82.9	Confident	83.8	Confident	121 Å²	121	81.6 Å²	81.6	57%	0.565	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-71.4	142.9	172.1	-171.3	175.5	-164.9	0	0	110.7	K817	E815-K817 PolarHBondContact O-N 2.77Å
816	P	83	Confident	83.6	Confident	47 Å²	47	81.8 Å²	81.8	31%	0.305	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.4	121.8	177.3	-10.2	19.2	0	0	0	111	V783	V783-P816 CarbonylContact O-C 3.54Å; V783-P816 VanDerWaalsContact O-CA 3.25Å; V783-P816 WeakPolarHBondContact O-CA 3.41Å
817	K	78	Confident	83.4	Confident	110 Å²	110	82.4 Å²	82.4	48%	0.478	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-127.7	153.6	174.4	-63.1	-174.8	175.2	-177.4	0	111.4	V783 E815 G819 G820	V783-K817 HydrophobicContact CB-CB 3.97Å; V783-K817 HydrophobicContact CG2-CB 4.2Å; V783-K817 PolarHBondContact N-O 3.27Å; V783-K817 PolarHBondContact O-N 3.23Å; E815-K817 PolarHBondContact O-N 2.77Å; K817-G819 VanDerWaalsContact C-N 3.31Å; K817-G819 PolarHBondContact O-N 2.87Å; K817-G820 PolarHBondContact O-N 2.84Å; K817-G820 VanDerWaalsContact O-N 3.1Å
818	Y	76.9	Confident	83.3	Confident	163 Å²	163	82.2 Å²	82.2	64%	0.639	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	42	175.3	-43.9	-79.4	0	0	0	113.3	H781 T782 V783	H781-Y818 HydrophobicContact CB-CG 4.49Å; H781-Y818 WeakPolarHBondContact O-CB 3.47Å; H781-Y818 WeakPolarHBondContact O-CD2 3.1Å; T782-Y818 WeakPolarHBondContact CG2-O 3.27Å; V783-Y818 HydrophobicContact CG2-CD2 4.26Å
819	G	72	Confident	83.2	Confident	80 Å²	80	79.5 Å²	79.5	83%	0.825	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	18.6	-179.3	0	0	0	0	0	114.9	K817	K817-G819 VanDerWaalsContact C-N 3.31Å; K817-G819 PolarHBondContact O-N 2.87Å
820	G	73.9	Confident	83.1	Confident	12 Å²	12	84.8 Å²	84.8	12%	0.124	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-66	155.6	170.7	0	0	0	0	0	113.2	V783 N784 K817	V783-G820 WeakPolarHBondContact O-CA 3.05Å; N784-G820 WeakPolarHBondContact OD1-CA 3.43Å; K817-G820 PolarHBondContact O-N 2.84Å; K817-G820 VanDerWaalsContact O-N 3.1Å
821	M	79.5	Confident	82.9	Confident	119 Å²	119	84.8 Å²	84.8	59%	0.586	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-65.8	141.3	-175.2	-66.3	-112.8	-72.9	0	0	112.2	N784 G785	N784-M821 PolarHBondContact OD1-N 2.92Å; G785-M821 PolarHBondContact N-O 2.96Å
822	P	83.2	Confident	82.9	Confident	93 Å²	93	89 Å²	89	60%	0.604	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-68.3	158	172.4	29.8	-34.7	0	0	0	111.4	L824	P822-L824 PolarHBondContact O-N 2.6Å
823	C	84	Confident	82.8	Confident	21 Å²	21	85.2 Å²	85.2	14%	0.142	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-65.4	129.1	178.6	-62.6	0	0	0	0	112.2	W787 C811	W787-C823 HydrophobicContact CD2-CB 3.66Å; W787-C823 HydrophobicContact CE3-CB 4.11Å; W787-C823 HydrophobicContact CG-CB 4.17Å; W787-C823 HydrophobicContact CH2-CB 3.92Å; W787-C823 HydrophobicContact CZ2-CB 3.42Å; W787-C823 VanDerWaalsContact CZ2-CB 3.42Å; W787-C823 HydrophobicContact CZ3-CB 4.24Å; C811-C823 VanDerWaalsContact CA-SG 3.51Å; C811-C823 HydrophobicContact CB-CB 3.78Å; C811-C823 WeakPolarHBondContact CB-SG 3.43Å; C811-C823 WeakPolarHBondContact SG-CB 3.35Å; C811-C823 PolarHBondContact SG-N 2.88Å; C811-C823 CovalentContact SG-SG 2.02Å; C811-C823 PolarHBondContact SG-SG 2.88Å
824	L	82.4	Confident	82.7	Confident	142 Å²	142	83.5 Å²	83.5	74%	0.743	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-86.3	127.4	179.4	-66	169.3	0	0	0	111.7	W787 P822	W787-L824 PolarHBondContact NE1-O 2.84Å; P822-L824 PolarHBondContact O-N 2.6Å
825	G	82.4	Confident	82.4	Confident	49 Å²	49	85.9 Å²	85.9	51%	0.505	47%	0.469	S	S	.	.	S	Bend	trans	115.8	174.7	177.2	0	0	0	0	0	114.3	W787	W787-G825 WeakPolarHBondContact CZ2-O 3.26Å
826	P	85.3	Confident	82	Confident	86 Å²	86	86.3 Å²	86.3	56%	0.558	47%	0.474	S	S	*	.			trans	-77	146.2	-178.4	30.1	-34.9	0	0	0	112.1	R809 L828	R809-P826 VanDerWaalsContact CZ-O 3.23Å; R809-P826 PolarHBondContact NE-O 2.83Å; R809-P826 PolarHBondContact NH2-O 2.87Å; P826-L828 VanDerWaalsContact C-N 3.3Å
827	S	87.5	Confident	81.6	Confident	69 Å²	69	87.2 Å²	87.2	48%	0.483	48%	0.48	S	S	.	.	S	Bend	trans	-81.5	-7.8	172.7	56.1	0	0	0	0	113.6	K808 R809	K808-S827 CarbonylContact C-O 3.49Å; K808-S827 WeakPolarHBondContact CA-O 3.46Å; R809-S827 PolarHBondContact N-O 2.83Å; R809-S827 WeakPolarHBondContact O-CB 3.46Å
828	L	89.6	Confident	81.6	Confident	56 Å²	56	83.9 Å²	83.9	29%	0.293	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.2	-174	-170.8	71.4	0	0	0	110.6	N806 K808 P826 Y830	N806-L828 HydrophobicContact CB-CD1 4.42Å; K808-L828 HydrophobicContact CD-CD1 4.3Å; K808-L828 HydrophobicContact CG-CD1 3.5Å; K808-L828 VanDerWaalsContact CG-CD1 3.5Å; P826-L828 VanDerWaalsContact C-N 3.3Å; L828-Y830 HydrophobicContact CD2-CE1 4.42Å; L828-Y830 HydrophobicContact CD2-CE2 3.64Å; L828-Y830 VanDerWaalsContact CD2-CZ 3.49Å; L828-Y830 WeakPolarHBondContact CD2-OH 3.22Å; L828-Y830 HydrophobicContact CG-CE2 4.01Å
829	E	89.8	Confident	81.7	Confident	69 Å²	69	79.9 Å²	79.9	32%	0.322	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141	177.9	-168.9	-178.3	170.9	0	0	111	W790 W793 N806 R807	W790-E829 HydrophobicContact CH2-CB 3.86Å; W790-E829 HydrophobicContact CZ2-CB 4.48Å; W790-E829 HydrophobicContact CZ3-CB 4.05Å; W793-E829 HydrophobicContact CH2-CB 4.29Å; W793-E829 HydrophobicContact CH2-CG 3.92Å; W793-E829 WeakPolarHBondContact CZ3-O 3.31Å; N806-E829 CarbonylContact C-O 3.6Å; N806-E829 WeakPolarHBondContact CA-O 3.5Å; N806-E829 WeakPolarHBondContact CB-O 3.3Å; R807-E829 HydrophobicContact CG-CB 4Å; R807-E829 IonicContact CZ-OE2 2.72Å; R807-E829 PolarHBondContact N-O 3.07Å; R807-E829 IonicContact NE-OE2 2.95Å; R807-E829 PolarHBondContact NE-OE2 2.78Å; R807-E829 VanDerWaalsContact NH2-CD 3.33Å; R807-E829 IonicContact NH2-OE1 2.74Å; R807-E829 PolarHBondContact NH2-OE1 3.49Å; R807-E829 IonicContact NH2-OE2 3.76Å; R807-E829 PolarHBondContact NH2-OE2 3.19Å; R807-E829 PolarHBondContact O-N 2.84Å
830	Y	88.5	Confident	82.2	Confident	153 Å²	153	78.6 Å²	78.6	60%	0.6	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.4	-179.5	-63.8	-86.3	0	0	0	111	I804 R805 N806 L828	I804-Y830 HydrophobicContact CG2-CD1 3.85Å; I804-Y830 HydrophobicContact CG2-CG 4.5Å; R805-Y830 CarbonylContact O-C 3.6Å; R805-Y830 WeakPolarHBondContact O-CA 3.27Å; N806-Y830 HydrophobicContact CB-CD1 3.88Å; N806-Y830 HydrophobicContact CB-CE1 4.04Å; L828-Y830 HydrophobicContact CD2-CE1 4.42Å; L828-Y830 HydrophobicContact CD2-CE2 3.64Å; L828-Y830 VanDerWaalsContact CD2-CZ 3.49Å; L828-Y830 WeakPolarHBondContact CD2-OH 3.22Å; L828-Y830 HydrophobicContact CG-CE2 4.01Å
831	Q	85.8	Confident	82.4	Confident	83 Å²	83	82.4 Å²	82.4	39%	0.388	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.3	177.3	-171.9	176.8	29.6	0	0	111.7	W793 I804 R805	W793-Q831 HydrophobicContact CE3-CB 4.43Å; W793-Q831 HydrophobicContact CH2-CB 3.58Å; W793-Q831 HydrophobicContact CZ2-CB 4.16Å; W793-Q831 HydrophobicContact CZ3-CB 3.73Å; I804-Q831 CarbonylContact C-O 3.6Å; I804-Q831 WeakPolarHBondContact CA-O 3.33Å; R805-Q831 HydrophobicContact CG-CB 4.06Å; R805-Q831 VanDerWaalsContact CZ-OE1 3.24Å; R805-Q831 PolarHBondContact N-O 2.75Å; R805-Q831 PolarHBondContact O-N 2.89Å
832	E	86.8	Confident	82.5	Confident	127 Å²	127	77.3 Å²	77.3	59%	0.593	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	142.8	172.4	-66.6	-174.6	-176.4	0	0	111.9	G803	G803-E832 CarbonylContact O-C 3.5Å; G803-E832 WeakPolarHBondContact O-CA 3.49Å
833	C	85	Confident	82.4	Confident	17 Å²	17	76.4 Å²	76.4	12%	0.115	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.5	177.5	47.2	0	0	0	0	110.7	C796 G803	C796-C833 WeakPolarHBondContact CA-SG 3.2Å; C796-C833 HydrophobicContact CB-CB 3.94Å; C796-C833 WeakPolarHBondContact CB-SG 3.46Å; C796-C833 WeakPolarHBondContact SG-CB 3.44Å; C796-C833 CovalentContact SG-SG 2.02Å; C796-C833 PolarHBondContact SG-SG 3Å; G803-C833 VanDerWaalsContact C-SG 3.5Å; G803-C833 PolarHBondContact N-O 3.07Å; G803-C833 PolarHBondContact O-N 2.84Å; G803-C833 PolarHBondContact O-SG 3.43Å
834	N	78.6	Confident	82.3	Confident	70 Å²	70	77.9 Å²	77.9	37%	0.374	43%	0.431	S	S	.	.			trans	55.1	58.6	176.5	-60.4	-16.5	0	0	0	114.9	C796 R798 S801 R802 L836	C796-N834 PolarHBondContact SG-ND2 2.93Å; R798-N834 WeakPolarHBondContact O-CB 3.45Å; R798-N834 PolarHBondContact O-ND2 3.35Å; S801-N834 PolarHBondContact N-O 3.44Å; R802-N834 PolarHBondContact N-O 3.46Å; N834-L836 VanDerWaalsContact C-N 3.3Å; N834-L836 PolarHBondContact O-N 3.48Å
835	I	74.6	Confident	82.3	Confident	117 Å²	117	72.4 Å²	72.4	60%	0.6	40%	0.404	S	S	*	.			trans	-72.7	-8.4	-175.6	52.4	170.7	0	0	0	115.6	R802	R802-I835 HydrophobicContact CG-CG2 4.38Å
836	L	74.4	Confident	82.3	Confident	129 Å²	129	73.6 Å²	73.6	68%	0.675	40%	0.404	S	S	*	.	S	Bend	trans	-79.3	145.6	-179.3	-77.7	95.4	0	0	0	112.6	S801 N834	S801-L836 PolarHBondContact N-O 2.57Å; N834-L836 VanDerWaalsContact C-N 3.3Å; N834-L836 PolarHBondContact O-N 3.48Å
837	P	76.4	Confident	82.2	Confident	67 Å²	67	73 Å²	73	44%	0.435	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-59.9	150.2	173.1	-19.2	30.9	0	0	0	112.5	Y875	P837-Y875 HydrophobicContact CB-CD1 3.69Å; P837-Y875 HydrophobicContact CB-CD2 3.95Å; P837-Y875 HydrophobicContact CB-CE1 3.91Å; P837-Y875 HydrophobicContact CB-CE2 4.16Å; P837-Y875 HydrophobicContact CB-CG 3.71Å; P837-Y875 HydrophobicContact CG-CD1 3.85Å; P837-Y875 HydrophobicContact CG-CE1 3.82Å; P837-Y875 HydrophobicContact CG-CG 4.39Å
838	C	76.9	Confident	81.9	Confident	39 Å²	39	71.6 Å²	71.6	26%	0.264	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-75.2	145.1	173.9	-55.4	0	0	0	0	111.2	C800 S801 Y875	C800-C838 HydrophobicContact CB-CB 3.94Å; C800-C838 WeakPolarHBondContact CB-SG 3.24Å; C800-C838 VanDerWaalsContact SG-CA 3.58Å; C800-C838 WeakPolarHBondContact SG-CB 3.48Å; C800-C838 CovalentContact SG-SG 2.02Å; C800-C838 PolarHBondContact SG-SG 2.84Å; S801-C838 PolarHBondContact OG-N 2.97Å; S801-C838 PolarHBondContact OG-SG 2.72Å; C838-Y875 WeakPolarHBondContact O-CB 3.37Å
839	P	80.4	Confident	81.5	Confident	80 Å²	80	74.5 Å²	74.5	52%	0.519	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-57.8	141.7	171	23	-31.2	0	0	0	111.5	Y875	P839-Y875 WeakPolarHBondContact CA-O 3.37Å; P839-Y875 WeakPolarHBondContact CB-O 3.11Å
840	V	80.8	Confident	81.2	Confident	52 Å²	52	75.9 Å²	75.9	32%	0.315	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-120.5	114.6	178.9	177.9	0	0	0	0	108.5	P871 P873 A874 Y875 G877	V840-P871 HydrophobicContact CG1-CB 4.44Å; V840-P871 HydrophobicContact CG1-CG 4Å; V840-P873 CarbonylContact O-C 3.5Å; V840-P873 VanDerWaalsContact O-CA 3.26Å; V840-P873 WeakPolarHBondContact O-CA 3.13Å; V840-A874 HydrophobicContact CB-CB 4.12Å; V840-A874 HydrophobicContact CG2-CB 4.46Å; V840-A874 PolarHBondContact N-O 2.8Å; V840-A874 PolarHBondContact O-N 3.03Å; V840-Y875 HydrophobicContact CG2-CD2 4.09Å; V840-G877 WeakPolarHBondContact O-CA 2.98Å
841	D	78.6	Confident	80.7	Confident	92 Å²	92	72 Å²	72	49%	0.492	40%	0.398	S	S	.	.			trans	-75.4	140	179.5	-56.3	-32	0	0	0	111.3	G877 D878	D841-G877 VanDerWaalsContact OD1-CA 3.27Å; D841-G877 WeakPolarHBondContact OD1-CA 3.42Å; D841-D878 PolarHBondContact OD1-N 3.24Å
842	G	81.2	Confident	80.5	Confident	12 Å²	12	77.6 Å²	77.6	12%	0.124	42%	0.421	C	S	.	.			trans	-73.9	133.8	178.7	0	0	0	0	0	112.4	P871 D878 C880	G842-P871 WeakPolarHBondContact CA-O 3.29Å; G842-D878 PolarHBondContact N-O 3.37Å; G842-C880 PolarHBondContact O-SG 3.27Å; G842-C880 VanDerWaalsContact O-SG 3.36Å
843	V	80.6	Confident	80.4	Confident	75 Å²	75	73.4 Å²	73.4	46%	0.455	41%	0.405	S	S	.	.			trans	-124	139.8	175.7	178.1	0	0	0	0	111.1	S869 N870 P871 C880	V843-S869 PolarHBondContact O-N 3.26Å; V843-N870 VanDerWaalsContact CB-O 3.26Å; V843-N870 WeakPolarHBondContact CB-O 3.31Å; V843-N870 WeakPolarHBondContact CG1-O 3.45Å; V843-N870 PolarHBondContact O-N 2.74Å; V843-P871 PolarHBondContact N-O 3.26Å; V843-C880 PolarHBondContact N-SG 3.01Å; V843-C880 VanDerWaalsContact N-SG 3.36Å
844	W	82.3	Confident	80	Confident	52 Å²	52	75.8 Å²	75.8	20%	0.197	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-63	142	179.2	-70.1	111	0	0	0	112.6	R866 C868 C880 L881 G882 H884	W844-R866 HydrophobicContact CD2-CG 4.13Å; W844-R866 HydrophobicContact CE3-CB 4.3Å; W844-R866 HydrophobicContact CE3-CG 3.55Å; W844-R866 HydrophobicContact CZ3-CG 4.01Å; W844-C868 HydrophobicContact CE3-CB 4.48Å; W844-C868 HydrophobicContact CZ3-CB 4.37Å; W844-C880 HydrophobicContact CD2-CB 3.81Å; W844-C880 VanDerWaalsContact CE2-CB 3.45Å; W844-C880 HydrophobicContact CE3-CB 4.28Å; W844-C880 HydrophobicContact CG-CB 4.26Å; W844-C880 HydrophobicContact CH2-CB 4.1Å; W844-C880 HydrophobicContact CZ2-CB 3.59Å; W844-C880 WeakPolarHBondContact CZ2-O 3.39Å; W844-C880 HydrophobicContact CZ3-CB 4.43Å; W844-L881 PolarHBondContact NE1-O 2.94Å; W844-G882 WeakPolarHBondContact CZ2-O 3.48Å; W844-H884 HydrophobicContact CH2-CB 3.68Å; W844-H884 HydrophobicContact CZ3-CB 3.62Å
845	S	83.7	Confident	79.6	Confident	26 Å²	26	73.9 Å²	73.9	18%	0.182	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-72	166.7	163.6	54.7	0	0	0	0	112.1	S867	S845-S867 WeakPolarHBondContact CB-O 3.49Å; S845-S867 PolarHBondContact N-O 2.83Å; S845-S867 PolarHBondContact OG-N 2.88Å; S845-S867 PolarHBondContact OG-O 3.46Å; S845-S867 PolarHBondContact OG-OG 3.26Å
846	C	82.8	Confident	79.7	Confident	74 Å²	74	72.7 Å²	72.7	50%	0.5	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-58.5	145.9	168.8	-62.3	0	0	0	0	109.5	C689	C689-C846 HydrophobicContact CB-CB 4.46Å; C689-C846 WeakPolarHBondContact CB-SG 3.42Å; C689-C846 WeakPolarHBondContact SG-CB 3.47Å; C689-C846 CovalentContact SG-SG 2.08Å; C689-C846 PolarHBondContact SG-SG 3.32Å
847	W	82	Confident	79.9	Confident	75 Å²	75	67.9 Å²	67.9	28%	0.284	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-60.4	144.7	174	-72.4	105.1	0	0	0	112.1	R864 R866 L883 E886	W847-R864 HydrophobicContact CD2-CG 4.17Å; W847-R864 HydrophobicContact CE3-CB 4.28Å; W847-R864 HydrophobicContact CE3-CG 3.65Å; W847-R864 HydrophobicContact CZ3-CG 4.09Å; W847-R866 HydrophobicContact CD2-CB 4.11Å; W847-R866 HydrophobicContact CD2-CG 4.03Å; W847-R866 HydrophobicContact CE3-CB 3.87Å; W847-R866 HydrophobicContact CE3-CG 3.75Å; W847-R866 HydrophobicContact CH2-CG 3.85Å; W847-R866 HydrophobicContact CZ2-CG 4.11Å; W847-R866 VanDerWaalsContact CZ2-NE 3.25Å; W847-R866 HydrophobicContact CZ3-CB 4.26Å; W847-R866 HydrophobicContact CZ3-CG 3.66Å; W847-L883 WeakPolarHBondContact CH2-O 3.42Å; W847-E886 HydrophobicContact CH2-CB 3.78Å; W847-E886 HydrophobicContact CZ2-CB 4.41Å; W847-E886 HydrophobicContact CZ3-CB 3.95Å
848	S	80.9	Confident	79.6	Confident	39 Å²	39	67.3 Å²	67.3	27%	0.273	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-65.7	159.9	166.8	71.2	0	0	0	0	111	R864 T865	S848-R864 WeakPolarHBondContact O-CB 3.21Å; S848-T865 WeakPolarHBondContact CB-O 3.47Å; S848-T865 PolarHBondContact N-O 3.29Å; S848-T865 PolarHBondContact OG-N 2.05Å; S848-T865 PolarHBondContact OG-O 3.21Å; S848-T865 PolarHBondContact OG-OG1 3.49Å
849	P	82.2	Confident	79.6	Confident	116 Å²	116	67 Å²	67	75%	0.753	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-57.4	148.5	167.6	-19.9	31.9	0	0	0	110.8
850	W	82.5	Confident	79.4	Confident	99 Å²	99	63.4 Å²	63.4	38%	0.375	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-59.2	139.3	171.4	-67.9	111.8	0	0	0	111.2	Y862 M863 R864 E886 A888	W850-Y862 AromaticContact CD2-CD2 3.57Å; W850-Y862 HydrophobicContact CD2-CD2 3.57Å; W850-Y862 AromaticContact CD2-CE2 3.88Å; W850-Y862 HydrophobicContact CD2-CE2 3.88Å; W850-Y862 HydrophobicContact CD2-CG 4.49Å; W850-Y862 AromaticContact CE2-CE2 3.95Å; W850-Y862 AromaticContact CE3-CD2 3.2Å; W850-Y862 HydrophobicContact CE3-CD2 3.2Å; W850-Y862 AromaticContact CE3-CE2 3.8Å; W850-Y862 HydrophobicContact CE3-CE2 3.8Å; W850-Y862 HydrophobicContact CE3-CG 4.2Å; W850-Y862 HydrophobicContact CG-CD2 4.18Å; W850-Y862 AromaticContact CH2-CD2 3.99Å; W850-Y862 HydrophobicContact CH2-CD2 3.99Å; W850-Y862 AromaticContact CH2-CE2 3.79Å; W850-Y862 HydrophobicContact CH2-CE2 3.79Å; W850-Y862 HydrophobicContact CZ2-CD2 4.34Å; W850-Y862 AromaticContact CZ2-CE2 3.93Å; W850-Y862 HydrophobicContact CZ2-CE2 3.93Å; W850-Y862 AromaticContact CZ3-CD2 3.42Å; W850-Y862 HydrophobicContact CZ3-CD2 3.42Å; W850-Y862 VanDerWaalsContact CZ3-CD2 3.42Å; W850-Y862 AromaticContact CZ3-CE2 3.73Å; W850-Y862 HydrophobicContact CZ3-CE2 3.73Å; W850-M863 CarbonylContact C-O 3.55Å; W850-M863 WeakPolarHBondContact CA-O 3.29Å; W850-M863 VanDerWaalsContact CE3-C 3.47Å; W850-R864 HydrophobicContact CD2-CB 4.05Å; W850-R864 HydrophobicContact CD2-CG 4.01Å; W850-R864 HydrophobicContact CE3-CB 3.69Å; W850-R864 HydrophobicContact CE3-CG 3.63Å; W850-R864 HydrophobicContact CH2-CG 3.83Å; W850-R864 HydrophobicContact CZ2-CG 4.13Å; W850-R864 HydrophobicContact CZ3-CB 4.12Å; W850-R864 HydrophobicContact CZ3-CG 3.57Å; W850-E886 HydrophobicContact CH2-CB 4.32Å; W850-E886 HydrophobicContact CH2-CG 3.89Å; W850-E886 HydrophobicContact CZ3-CG 4.48Å; W850-E886 WeakPolarHBondContact CZ3-O 3.44Å; W850-A888 HydrophobicContact CH2-CB 4.23Å
851	T	78.2	Confident	79.4	Confident	72 Å²	72	65.4 Å²	65.4	44%	0.442	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-66	162	171	59.6	0	0	0	0	111.2	Y862 M863	T851-Y862 WeakPolarHBondContact O-CB 3.43Å; T851-M863 HydrophobicContact CG2-CB 4.21Å; T851-M863 WeakPolarHBondContact CG2-O 3.49Å; T851-M863 PolarHBondContact N-O 3.38Å; T851-M863 PolarHBondContact OG1-N 3.18Å; T851-M863 PolarHBondContact OG1-O 2.76Å
852	K	82.4	Confident	79.7	Confident	200 Å²	200	64.6 Å²	64.6	87%	0.87	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-59.4	145.9	166.7	-66.2	-176.7	179	-179.5	0	109.3	S854	K852-S854 PolarHBondContact O-N 3.23Å
853	C	83.7	Confident	79.7	Confident	39 Å²	39	66.8 Å²	66.8	26%	0.264	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-56.9	132.8	177	-170.4	0	0	0	0	111	A855 C890 N891	C853-A855 VanDerWaalsContact C-N 3.27Å; C853-A855 PolarHBondContact O-N 2.9Å; C853-A855 PolarHBondContact SG-O 2.92Å; C853-C890 WeakPolarHBondContact CA-SG 3.37Å; C853-C890 HydrophobicContact CB-CB 3.89Å; C853-C890 WeakPolarHBondContact CB-SG 3.3Å; C853-C890 WeakPolarHBondContact SG-CB 3.38Å; C853-C890 CovalentContact SG-SG 2.01Å; C853-C890 PolarHBondContact SG-SG 3.4Å; C853-N891 PolarHBondContact SG-ND2 2.85Å
854	S	77.2	Confident	80	Confident	67 Å²	67	65.9 Å²	65.9	47%	0.469	37%	0.37	S	S	.	.	S	Bend	trans	-71.9	-14.1	-175.5	62.6	0	0	0	0	115.3	K852 G860 H861	K852-S854 PolarHBondContact O-N 3.23Å; S854-G860 WeakPolarHBondContact OG-CA 3.48Å; S854-H861 WeakPolarHBondContact CB-NE2 3.48Å; S854-H861 PolarHBondContact N-O 3.35Å; S854-H861 PolarHBondContact OG-CE1 2.96Å; S854-H861 VanDerWaalsContact OG-CG 3.27Å; S854-H861 PolarHBondContact OG-N 3.16Å; S854-H861 PolarHBondContact OG-ND1 2.92Å; S854-H861 PolarHBondContact OG-NE2 2.95Å; S854-H861 PolarHBondContact OG-O 2.83Å
855	A	69.7	Low	80	Confident	29 Å²	29	66.6 Å²	66.6	24%	0.24	38%	0.38	C	S	.	.			trans	-137.5	152.2	175.3	0	0	0	0	0	110.1	C853 C857 N891	C853-A855 VanDerWaalsContact C-N 3.27Å; C853-A855 PolarHBondContact O-N 2.9Å; C853-A855 PolarHBondContact SG-O 2.92Å; A855-C857 WeakPolarHBondContact CB-O 3.4Å; A855-N891 WeakPolarHBondContact O-CB 3.38Å; A855-N891 PolarHBondContact O-ND2 3.08Å
856	T	76.9	Confident	80.1	Confident	93 Å²	93	68 Å²	68	57%	0.571	38%	0.382	S	S	*	.	S	Bend	trans	-89.1	-17.2	177.8	41.3	0	0	0	0	113.4	Q893	T856-Q893 PolarHBondContact O-NE2 3.2Å
857	C	78.2	Confident	80.1	Confident	28 Å²	28	67.5 Å²	67.5	19%	0.189	38%	0.379	C	S	.	.	S	Bend	trans	-160.5	172.8	174.7	55.7	0	0	0	0	107.6	A855 G859 N891 Q893 C895	A855-C857 WeakPolarHBondContact CB-O 3.4Å; C857-G859 VanDerWaalsContact C-N 3.28Å; C857-G859 PolarHBondContact O-N 2.91Å; C857-N891 CarbonylContact C-O 3.54Å; C857-Q893 HydrophobicContact CB-CG 4.24Å; C857-C895 HydrophobicContact CB-CB 3.91Å; C857-C895 WeakPolarHBondContact CB-SG 2.98Å; C857-C895 PolarHBondContact O-SG 2.72Å; C857-C895 WeakPolarHBondContact SG-CA 3.41Å; C857-C895 WeakPolarHBondContact SG-CB 2.99Å; C857-C895 CovalentContact SG-SG 2.03Å; C857-C895 PolarHBondContact SG-SG 2.77Å
858	G	69.9	Low	80.1	Confident	55 Å²	55	65.9 Å²	65.9	57%	0.567	38%	0.378	S	S	*	.	S	Bend	trans	77.6	7.6	174.9	0	0	0	0	0	115.1	N891 Q893 C895	G858-N891 PolarHBondContact N-O 2.63Å; G858-Q893 PolarHBondContact N-O 3.01Å; G858-C895 PolarHBondContact N-SG 3.29Å; G858-C895 VanDerWaalsContact N-SG 3.42Å
859	G	76.6	Confident	80.1	Confident	33 Å²	33	67.1 Å²	67.1	34%	0.34	39%	0.387	S	S	.	.			trans	86.2	106.4	-175.3	0	0	0	0	0	112.6	C857 C890 N891	C857-G859 VanDerWaalsContact C-N 3.28Å; C857-G859 PolarHBondContact O-N 2.91Å; G859-C890 CarbonylContact C-O 3.44Å; G859-N891 WeakPolarHBondContact CA-O 3.38Å; G859-N891 PolarHBondContact N-O 2.86Å
860	G	77.5	Confident	79.7	Confident	3 Å²	3	66.8 Å²	66.8	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-176.2	165.3	0	0	0	0	0	112.1	S854 L889 C890	S854-G860 WeakPolarHBondContact OG-CA 3.48Å; G860-L889 CarbonylContact O-C 3.6Å; G860-L889 WeakPolarHBondContact O-CA 3.32Å; G860-C890 PolarHBondContact N-O 2.82Å; G860-C890 PolarHBondContact O-N 3.25Å
861	H	80	Confident	79.6	Confident	94 Å²	94	65.2 Å²	65.2	44%	0.435	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.7	174.7	53.6	-97	0	0	0	110	S854 A888 C890	S854-H861 WeakPolarHBondContact CB-NE2 3.48Å; S854-H861 PolarHBondContact N-O 3.35Å; S854-H861 PolarHBondContact OG-CE1 2.96Å; S854-H861 VanDerWaalsContact OG-CG 3.27Å; S854-H861 PolarHBondContact OG-N 3.16Å; S854-H861 PolarHBondContact OG-ND1 2.92Å; S854-H861 PolarHBondContact OG-NE2 2.95Å; S854-H861 PolarHBondContact OG-O 2.83Å; H861-A888 CarbonylContact C-O 3.56Å; H861-A888 VanDerWaalsContact CA-O 3.26Å; H861-A888 WeakPolarHBondContact CA-O 3.47Å; H861-C890 PolarHBondContact N-SG 3.29Å; H861-C890 VanDerWaalsContact N-SG 3.41Å
862	Y	84.8	Confident	79.6	Confident	76 Å²	76	64.4 Å²	64.4	30%	0.298	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.7	161.1	50.2	-114	0	0	0	108.9	W850 T851 E887 A888 L889 C890	W850-Y862 AromaticContact CD2-CD2 3.57Å; W850-Y862 HydrophobicContact CD2-CD2 3.57Å; W850-Y862 AromaticContact CD2-CE2 3.88Å; W850-Y862 HydrophobicContact CD2-CE2 3.88Å; W850-Y862 HydrophobicContact CD2-CG 4.49Å; W850-Y862 AromaticContact CE2-CE2 3.95Å; W850-Y862 AromaticContact CE3-CD2 3.2Å; W850-Y862 HydrophobicContact CE3-CD2 3.2Å; W850-Y862 AromaticContact CE3-CE2 3.8Å; W850-Y862 HydrophobicContact CE3-CE2 3.8Å; W850-Y862 HydrophobicContact CE3-CG 4.2Å; W850-Y862 HydrophobicContact CG-CD2 4.18Å; W850-Y862 AromaticContact CH2-CD2 3.99Å; W850-Y862 HydrophobicContact CH2-CD2 3.99Å; W850-Y862 AromaticContact CH2-CE2 3.79Å; W850-Y862 HydrophobicContact CH2-CE2 3.79Å; W850-Y862 HydrophobicContact CZ2-CD2 4.34Å; W850-Y862 AromaticContact CZ2-CE2 3.93Å; W850-Y862 HydrophobicContact CZ2-CE2 3.93Å; W850-Y862 AromaticContact CZ3-CD2 3.42Å; W850-Y862 HydrophobicContact CZ3-CD2 3.42Å; W850-Y862 VanDerWaalsContact CZ3-CD2 3.42Å; W850-Y862 AromaticContact CZ3-CE2 3.73Å; W850-Y862 HydrophobicContact CZ3-CE2 3.73Å; T851-Y862 WeakPolarHBondContact O-CB 3.43Å; Y862-E887 WeakPolarHBondContact O-CA 3.15Å; Y862-A888 HydrophobicContact CD2-CB 3.89Å; Y862-A888 HydrophobicContact CE2-CB 3.18Å; Y862-A888 PolarHBondContact N-O 2.94Å; Y862-A888 PolarHBondContact O-N 3.1Å; Y862-L889 WeakPolarHBondContact CE1-O 3.4Å; Y862-C890 HydrophobicContact CD1-CB 3.47Å; Y862-C890 VanDerWaalsContact CD1-CB 3.47Å; Y862-C890 HydrophobicContact CE1-CB 3.71Å
863	M	81.3	Confident	79.5	Confident	58 Å²	58	57.3 Å²	57.3	29%	0.286	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.7	-173.3	-166.9	-171.2	-146.8	0	0	110.3	W850 T851 T885 E886 E887	W850-M863 CarbonylContact C-O 3.55Å; W850-M863 WeakPolarHBondContact CA-O 3.29Å; W850-M863 VanDerWaalsContact CE3-C 3.47Å; T851-M863 HydrophobicContact CG2-CB 4.21Å; T851-M863 WeakPolarHBondContact CG2-O 3.49Å; T851-M863 PolarHBondContact N-O 3.38Å; T851-M863 PolarHBondContact OG1-N 3.18Å; T851-M863 PolarHBondContact OG1-O 2.76Å; M863-T885 HydrophobicContact CE-CG2 3.64Å; M863-E886 CarbonylContact C-O 3.52Å; M863-E886 VanDerWaalsContact CA-O 3.31Å; M863-E886 WeakPolarHBondContact CA-O 3.36Å; M863-E887 HydrophobicContact CE-CG 4.26Å; M863-E887 HydrophobicContact CG-CG 4.06Å
864	R	87.2	Confident	79	Confident	55 Å²	55	57.1 Å²	57.1	21%	0.208	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.5	167	64.7	179.3	-177.8	-173	-6.9	110.8	W847 S848 W850 T885 E886	W847-R864 HydrophobicContact CD2-CG 4.17Å; W847-R864 HydrophobicContact CE3-CB 4.28Å; W847-R864 HydrophobicContact CE3-CG 3.65Å; W847-R864 HydrophobicContact CZ3-CG 4.09Å; S848-R864 WeakPolarHBondContact O-CB 3.21Å; W850-R864 HydrophobicContact CD2-CB 4.05Å; W850-R864 HydrophobicContact CD2-CG 4.01Å; W850-R864 HydrophobicContact CE3-CB 3.69Å; W850-R864 HydrophobicContact CE3-CG 3.63Å; W850-R864 HydrophobicContact CH2-CG 3.83Å; W850-R864 HydrophobicContact CZ2-CG 4.13Å; W850-R864 HydrophobicContact CZ3-CB 4.12Å; W850-R864 HydrophobicContact CZ3-CG 3.57Å; R864-T885 WeakPolarHBondContact O-CA 3.31Å; R864-E886 HydrophobicContact CG-CB 3.9Å; R864-E886 IonicContact CZ-OE1 3.77Å; R864-E886 IonicContact CZ-OE2 2.75Å; R864-E886 PolarHBondContact N-O 3.3Å; R864-E886 IonicContact NE-OE1 2.99Å; R864-E886 IonicContact NE-OE2 3.15Å; R864-E886 PolarHBondContact NE-OE2 2.94Å; R864-E886 IonicContact NH2-OE1 2.61Å; R864-E886 PolarHBondContact NH2-OE1 2.71Å; R864-E886 IonicContact NH2-OE2 3.36Å; R864-E886 PolarHBondContact NH2-OE2 3.31Å; R864-E886 PolarHBondContact O-N 2.76Å
865	T	81.5	Confident	78.9	Confident	67 Å²	67	61.7 Å²	61.7	41%	0.411	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.9	-170.7	57.1	0	0	0	0	111.3	S848 H884 T885	S848-T865 WeakPolarHBondContact CB-O 3.47Å; S848-T865 PolarHBondContact N-O 3.29Å; S848-T865 PolarHBondContact OG-N 2.05Å; S848-T865 PolarHBondContact OG-O 3.21Å; S848-T865 PolarHBondContact OG-OG1 3.49Å; T865-H884 CarbonylContact C-O 3.59Å; T865-H884 VanDerWaalsContact CA-O 3.28Å; T865-H884 WeakPolarHBondContact CA-O 3.37Å; T865-T885 HydrophobicContact CG2-CG2 3.69Å
866	R	87.5	Confident	78.9	Confident	56 Å²	56	63.9 Å²	63.9	21%	0.211	39%	0.391	C	S	.	.			trans	-136.9	146.6	170.8	58	178	179.8	177.6	-0.6	110.4	W844 W847 L883 H884	W844-R866 HydrophobicContact CD2-CG 4.13Å; W844-R866 HydrophobicContact CE3-CB 4.3Å; W844-R866 HydrophobicContact CE3-CG 3.55Å; W844-R866 HydrophobicContact CZ3-CG 4.01Å; W847-R866 HydrophobicContact CD2-CB 4.11Å; W847-R866 HydrophobicContact CD2-CG 4.03Å; W847-R866 HydrophobicContact CE3-CB 3.87Å; W847-R866 HydrophobicContact CE3-CG 3.75Å; W847-R866 HydrophobicContact CH2-CG 3.85Å; W847-R866 HydrophobicContact CZ2-CG 4.11Å; W847-R866 VanDerWaalsContact CZ2-NE 3.25Å; W847-R866 HydrophobicContact CZ3-CB 4.26Å; W847-R866 HydrophobicContact CZ3-CG 3.66Å; R866-L883 PolarHBondContact NE-O 3Å; R866-L883 PolarHBondContact NH2-O 3.04Å; R866-H884 PolarHBondContact N-O 3.05Å
867	S	82.1	Confident	78.7	Confident	63 Å²	63	60.1 Å²	60.1	44%	0.441	37%	0.371	S	S	.	.			trans	-105.8	147.4	177.4	54.7	0	0	0	0	112.8	S845 S869	S845-S867 WeakPolarHBondContact CB-O 3.49Å; S845-S867 PolarHBondContact N-O 2.83Å; S845-S867 PolarHBondContact OG-N 2.88Å; S845-S867 PolarHBondContact OG-O 3.46Å; S845-S867 PolarHBondContact OG-OG 3.26Å; S867-S869 VanDerWaalsContact C-N 3.3Å; S867-S869 PolarHBondContact O-N 2.79Å; S867-S869 PolarHBondContact OG-OG 2.81Å
868	C	81.9	Confident	78.1	Confident	41 Å²	41	64.3 Å²	64.3	28%	0.277	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-81.1	73.4	174.5	-172.1	0	0	0	0	110.3	W844 C880	W844-C868 HydrophobicContact CE3-CB 4.48Å; W844-C868 HydrophobicContact CZ3-CB 4.37Å; C868-C880 WeakPolarHBondContact CA-SG 3.38Å; C868-C880 HydrophobicContact CB-CB 3.77Å; C868-C880 WeakPolarHBondContact CB-SG 3.17Å; C868-C880 WeakPolarHBondContact SG-CB 3.47Å; C868-C880 CovalentContact SG-SG 2.03Å; C868-C880 PolarHBondContact SG-SG 2.68Å
869	S	80.7	Confident	78.4	Confident	66 Å²	66	67.8 Å²	67.8	46%	0.462	40%	0.396	S	S	.	.			trans	-137.5	6	-167	60.6	0	0	0	0	114.8	V843 S867 P871	V843-S869 PolarHBondContact O-N 3.26Å; S867-S869 VanDerWaalsContact C-N 3.3Å; S867-S869 PolarHBondContact O-N 2.79Å; S867-S869 PolarHBondContact OG-OG 2.81Å; S869-P871 VanDerWaalsContact C-C 3.47Å
870	N	74.5	Confident	78.6	Confident	109 Å²	109	67 Å²	67	58%	0.583	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	61.9	-172.4	-168.4	41.3	0	0	0	114.2	V843	V843-N870 VanDerWaalsContact CB-O 3.26Å; V843-N870 WeakPolarHBondContact CB-O 3.31Å; V843-N870 WeakPolarHBondContact CG1-O 3.45Å; V843-N870 PolarHBondContact O-N 2.74Å
871	P	80.6	Confident	78.2	Confident	65 Å²	65	74 Å²	74	42%	0.422	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.2	168.8	2.2	34.8	-34.2	0	0	0	113.3	V840 G842 V843 S869	V840-P871 HydrophobicContact CG1-CB 4.44Å; V840-P871 HydrophobicContact CG1-CG 4Å; G842-P871 WeakPolarHBondContact CA-O 3.29Å; V843-P871 PolarHBondContact N-O 3.26Å; S869-P871 VanDerWaalsContact C-C 3.47Å
872	A	77	Confident	78.1	Confident	55 Å²	55	72.1 Å²	72.1	46%	0.455	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-76.7	144.9	170.4	0	0	0	0	0	110.6	A874	A872-A874 PolarHBondContact O-N 2.67Å
873	P	81.5	Confident	77.6	Confident	52 Å²	52	74.5 Å²	74.5	34%	0.338	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-63.2	132.5	179	22.6	-29.3	0	0	0	111.1	V840	V840-P873 CarbonylContact O-C 3.5Å; V840-P873 VanDerWaalsContact O-CA 3.26Å; V840-P873 WeakPolarHBondContact O-CA 3.13Å
874	A	71.6	Confident	77.6	Confident	34 Å²	34	77 Å²	77	28%	0.281	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-142.2	159.6	-179.2	0	0	0	0	0	111.4	V840 A872 G876 G877	V840-A874 HydrophobicContact CB-CB 4.12Å; V840-A874 HydrophobicContact CG2-CB 4.46Å; V840-A874 PolarHBondContact N-O 2.8Å; V840-A874 PolarHBondContact O-N 3.03Å; A872-A874 PolarHBondContact O-N 2.67Å; A874-G876 PolarHBondContact O-N 2.79Å; A874-G877 PolarHBondContact O-N 2.91Å; A874-G877 VanDerWaalsContact O-N 3.12Å
875	Y	76.4	Confident	77.3	Confident	163 Å²	163	76.3 Å²	76.3	64%	0.639	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	29.3	174.9	-47.2	-66.7	0	0	0	115.3	P837 C838 P839 V840	P837-Y875 HydrophobicContact CB-CD1 3.69Å; P837-Y875 HydrophobicContact CB-CD2 3.95Å; P837-Y875 HydrophobicContact CB-CE1 3.91Å; P837-Y875 HydrophobicContact CB-CE2 4.16Å; P837-Y875 HydrophobicContact CB-CG 3.71Å; P837-Y875 HydrophobicContact CG-CD1 3.85Å; P837-Y875 HydrophobicContact CG-CE1 3.82Å; P837-Y875 HydrophobicContact CG-CG 4.39Å; C838-Y875 WeakPolarHBondContact O-CB 3.37Å; P839-Y875 WeakPolarHBondContact CA-O 3.37Å; P839-Y875 WeakPolarHBondContact CB-O 3.11Å; V840-Y875 HydrophobicContact CG2-CD2 4.09Å
876	G	68.8	Low	77.3	Confident	75 Å²	75	76.4 Å²	76.4	77%	0.773	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	17.1	177.6	0	0	0	0	0	115.8	A874	A874-G876 PolarHBondContact O-N 2.79Å
877	G	73.6	Confident	76.9	Confident	14 Å²	14	79.9 Å²	79.9	14%	0.144	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-76.7	163.8	170.3	0	0	0	0	0	113.6	V840 D841 A874	V840-G877 WeakPolarHBondContact O-CA 2.98Å; D841-G877 VanDerWaalsContact OD1-CA 3.27Å; D841-G877 WeakPolarHBondContact OD1-CA 3.42Å; A874-G877 PolarHBondContact O-N 2.91Å; A874-G877 VanDerWaalsContact O-N 3.12Å
878	D	65.1	Low	76.8	Confident	117 Å²	117	78.4 Å²	78.4	63%	0.626	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-66.8	146.3	-172.4	-77.4	-27.6	0	0	0	112.7	D841 G842	D841-D878 PolarHBondContact OD1-N 3.24Å; G842-D878 PolarHBondContact N-O 3.37Å
879	I	77.2	Confident	76.6	Confident	128 Å²	128	82.8 Å²	82.8	66%	0.656	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-72.9	155.3	173.1	58.4	169.3	0	0	0	111.5	L881	I879-L881 PolarHBondContact O-N 2.91Å; I879-L881 VanDerWaalsContact O-N 3.15Å
880	C	79.8	Confident	76.7	Confident	16 Å²	16	80.5 Å²	80.5	11%	0.108	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-62.7	116.3	175.9	-61.2	0	0	0	0	111.9	G842 V843 W844 C868	G842-C880 PolarHBondContact O-SG 3.27Å; G842-C880 VanDerWaalsContact O-SG 3.36Å; V843-C880 PolarHBondContact N-SG 3.01Å; V843-C880 VanDerWaalsContact N-SG 3.36Å; W844-C880 HydrophobicContact CD2-CB 3.81Å; W844-C880 VanDerWaalsContact CE2-CB 3.45Å; W844-C880 HydrophobicContact CE3-CB 4.28Å; W844-C880 HydrophobicContact CG-CB 4.26Å; W844-C880 HydrophobicContact CH2-CB 4.1Å; W844-C880 HydrophobicContact CZ2-CB 3.59Å; W844-C880 WeakPolarHBondContact CZ2-O 3.39Å; W844-C880 HydrophobicContact CZ3-CB 4.43Å; C868-C880 WeakPolarHBondContact CA-SG 3.38Å; C868-C880 HydrophobicContact CB-CB 3.77Å; C868-C880 WeakPolarHBondContact CB-SG 3.17Å; C868-C880 WeakPolarHBondContact SG-CB 3.47Å; C868-C880 CovalentContact SG-SG 2.03Å; C868-C880 PolarHBondContact SG-SG 2.68Å
881	L	70.1	Confident	77	Confident	151 Å²	151	78 Å²	78	79%	0.791	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-82.5	127.6	175	-61.9	173.2	0	0	0	110.9	W844 I879	W844-L881 PolarHBondContact NE1-O 2.94Å; I879-L881 PolarHBondContact O-N 2.91Å; I879-L881 VanDerWaalsContact O-N 3.15Å
882	G	77.6	Confident	76.6	Confident	53 Å²	53	79.8 Å²	79.8	55%	0.546	46%	0.463	S	S	.	.	S	Bend	trans	132.4	171.8	177.8	0	0	0	0	0	114.1	W844	W844-G882 WeakPolarHBondContact CZ2-O 3.48Å
883	L	74.2	Confident	76.6	Confident	127 Å²	127	81.3 Å²	81.3	67%	0.665	46%	0.46	S	S	*	.			trans	-74.6	134.5	176.9	-66.3	169.6	0	0	0	110.9	W847 R866 T885	W847-L883 WeakPolarHBondContact CH2-O 3.42Å; R866-L883 PolarHBondContact NE-O 3Å; R866-L883 PolarHBondContact NH2-O 3.04Å; L883-T885 VanDerWaalsContact C-N 3.32Å; L883-T885 WeakPolarHBondContact CB-O 3.35Å
884	H	81.3	Confident	75.9	Confident	111 Å²	111	84.5 Å²	84.5	51%	0.514	48%	0.481	S	S	.	.	S	Bend	trans	-85.3	-9.1	174.4	61.7	-78.6	0	0	0	112.7	W844 T865 R866	W844-H884 HydrophobicContact CH2-CB 3.68Å; W844-H884 HydrophobicContact CZ3-CB 3.62Å; T865-H884 CarbonylContact C-O 3.59Å; T865-H884 VanDerWaalsContact CA-O 3.28Å; T865-H884 WeakPolarHBondContact CA-O 3.37Å; R866-H884 PolarHBondContact N-O 3.05Å
885	T	80	Confident	75.5	Confident	39 Å²	39	86.1 Å²	86.1	24%	0.239	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138	-177.5	33.4	0	0	0	0	109.5	M863 R864 T865 L883	M863-T885 HydrophobicContact CE-CG2 3.64Å; R864-T885 WeakPolarHBondContact O-CA 3.31Å; T865-T885 HydrophobicContact CG2-CG2 3.69Å; L883-T885 VanDerWaalsContact C-N 3.32Å; L883-T885 WeakPolarHBondContact CB-O 3.35Å
886	E	82.2	Confident	75	Confident	69 Å²	69	83.5 Å²	83.5	32%	0.322	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.2	175.2	-170	179.6	164.6	0	0	109.1	W847 W850 M863 R864	W847-E886 HydrophobicContact CH2-CB 3.78Å; W847-E886 HydrophobicContact CZ2-CB 4.41Å; W847-E886 HydrophobicContact CZ3-CB 3.95Å; W850-E886 HydrophobicContact CH2-CB 4.32Å; W850-E886 HydrophobicContact CH2-CG 3.89Å; W850-E886 HydrophobicContact CZ3-CG 4.48Å; W850-E886 WeakPolarHBondContact CZ3-O 3.44Å; M863-E886 CarbonylContact C-O 3.52Å; M863-E886 VanDerWaalsContact CA-O 3.31Å; M863-E886 WeakPolarHBondContact CA-O 3.36Å; R864-E886 HydrophobicContact CG-CB 3.9Å; R864-E886 IonicContact CZ-OE1 3.77Å; R864-E886 IonicContact CZ-OE2 2.75Å; R864-E886 PolarHBondContact N-O 3.3Å; R864-E886 IonicContact NE-OE1 2.99Å; R864-E886 IonicContact NE-OE2 3.15Å; R864-E886 PolarHBondContact NE-OE2 2.94Å; R864-E886 IonicContact NH2-OE1 2.61Å; R864-E886 PolarHBondContact NH2-OE1 2.71Å; R864-E886 IonicContact NH2-OE2 3.36Å; R864-E886 PolarHBondContact NH2-OE2 3.31Å; R864-E886 PolarHBondContact O-N 2.76Å
887	E	79	Confident	74.5	Confident	130 Å²	130	89.3 Å²	89.3	61%	0.607	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.7	179.6	-72.2	179.7	-175.5	0	0	109.5	Y862 M863	Y862-E887 WeakPolarHBondContact O-CA 3.15Å; M863-E887 HydrophobicContact CE-CG 4.26Å; M863-E887 HydrophobicContact CG-CG 4.06Å
888	A	78.8	Confident	74	Confident	32 Å²	32	90 Å²	90	26%	0.264	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.7	171.1	0	0	0	0	0	111.9	W850 H861 Y862	W850-A888 HydrophobicContact CH2-CB 4.23Å; H861-A888 CarbonylContact C-O 3.56Å; H861-A888 VanDerWaalsContact CA-O 3.26Å; H861-A888 WeakPolarHBondContact CA-O 3.47Å; Y862-A888 HydrophobicContact CD2-CB 3.89Å; Y862-A888 HydrophobicContact CE2-CB 3.18Å; Y862-A888 PolarHBondContact N-O 2.94Å; Y862-A888 PolarHBondContact O-N 3.1Å
889	L	78	Confident	74.4	Confident	133 Å²	133	86.7 Å²	86.7	70%	0.696	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	143.7	-174.1	-69.8	156.3	0	0	0	111.6	G860 Y862 T892	G860-L889 CarbonylContact O-C 3.6Å; G860-L889 WeakPolarHBondContact O-CA 3.32Å; Y862-L889 WeakPolarHBondContact CE1-O 3.4Å; L889-T892 HydrophobicContact CB-CG2 4.46Å
890	C	84	Confident	74.5	Confident	17 Å²	17	82.4 Å²	82.4	12%	0.115	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	164.4	173.2	52	0	0	0	0	110.8	C853 G859 G860 H861 Y862 T892	C853-C890 WeakPolarHBondContact CA-SG 3.37Å; C853-C890 HydrophobicContact CB-CB 3.89Å; C853-C890 WeakPolarHBondContact CB-SG 3.3Å; C853-C890 WeakPolarHBondContact SG-CB 3.38Å; C853-C890 CovalentContact SG-SG 2.01Å; C853-C890 PolarHBondContact SG-SG 3.4Å; G859-C890 CarbonylContact C-O 3.44Å; G860-C890 PolarHBondContact N-O 2.82Å; G860-C890 PolarHBondContact O-N 3.25Å; H861-C890 PolarHBondContact N-SG 3.29Å; H861-C890 VanDerWaalsContact N-SG 3.41Å; Y862-C890 HydrophobicContact CD1-CB 3.47Å; Y862-C890 VanDerWaalsContact CD1-CB 3.47Å; Y862-C890 HydrophobicContact CE1-CB 3.71Å; C890-T892 PolarHBondContact O-N 3.32Å
891	N	79.7	Confident	74.5	Confident	56 Å²	56	90.3 Å²	90.3	30%	0.299	50%	0.498	S	S	.	.			trans	51.7	45.3	175.7	-68.3	-24.8	0	0	0	115.6	C853 A855 C857 G858 G859 Q893	C853-N891 PolarHBondContact SG-ND2 2.85Å; A855-N891 WeakPolarHBondContact O-CB 3.38Å; A855-N891 PolarHBondContact O-ND2 3.08Å; C857-N891 CarbonylContact C-O 3.54Å; G858-N891 PolarHBondContact N-O 2.63Å; G859-N891 WeakPolarHBondContact CA-O 3.38Å; G859-N891 PolarHBondContact N-O 2.86Å; N891-Q893 PolarHBondContact O-N 3.17Å; N891-Q893 PolarHBondContact OD1-NE2 3.01Å
892	T	73.2	Confident	75.2	Confident	104 Å²	104	86.9 Å²	86.9	64%	0.638	47%	0.474	S	S	*	.			trans	-73.2	-0.1	-178.1	52.1	0	0	0	0	114.9	L889 C890	L889-T892 HydrophobicContact CB-CG2 4.46Å; C890-T892 PolarHBondContact O-N 3.32Å
893	Q	75.9	Confident	75.6	Confident	87 Å²	87	87.1 Å²	87.1	41%	0.407	47%	0.467	S	S	.	.	S	Bend	trans	-64	139.3	172.1	61.1	-81.4	4.9	0	0	111.9	T856 C857 G858 N891	T856-Q893 PolarHBondContact O-NE2 3.2Å; C857-Q893 HydrophobicContact CB-CG 4.24Å; G858-Q893 PolarHBondContact N-O 3.01Å; N891-Q893 PolarHBondContact O-N 3.17Å; N891-Q893 PolarHBondContact OD1-NE2 3.01Å
894	P	68.3	Low	76.2	Confident	118 Å²	118	88.3 Å²	88.3	77%	0.766	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-59.5	141.7	173.8	22.2	-30.5	0	0	0	112
895	C	62.4	Low	76.4	Confident	68 Å²	68	86 Å²	86	46%	0.459	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-75.2	138.4	176.7	-71.1	0	0	0	0	111.6	C857 G858	C857-C895 HydrophobicContact CB-CB 3.91Å; C857-C895 WeakPolarHBondContact CB-SG 2.98Å; C857-C895 PolarHBondContact O-SG 2.72Å; C857-C895 WeakPolarHBondContact SG-CA 3.41Å; C857-C895 WeakPolarHBondContact SG-CB 2.99Å; C857-C895 CovalentContact SG-SG 2.03Å; C857-C895 PolarHBondContact SG-SG 2.77Å; G858-C895 PolarHBondContact N-SG 3.29Å; G858-C895 VanDerWaalsContact N-SG 3.42Å
896	P	66	Low	76.7	Confident	109 Å²	109	86.3 Å²	86.3	71%	0.708	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-66.5	142.2	170.7	22.7	-25.8	0	0	0	111.5	S898	P896-S898 PolarHBondContact O-N 2.97Å
897	E	58	Low	76.8	Confident	197 Å²	197	91.4 Å²	91.4	92%	0.921	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-59.1	121.4	-178.9	-70.6	-177.5	161.2	0	0	111.4
898	S	63.4	Low	77.1	Confident	28 Å²	28	88.1 Å²	88.1	20%	0.196	48%	0.479	C	S	.	.			trans	-110.3	1.9	-167.5	43.8	0	0	0	0	115.1	P896 I921 Q929	P896-S898 PolarHBondContact O-N 2.97Å; S898-I921 PolarHBondContact O-N 2.88Å; S898-Q929 PolarHBondContact OG-O 3.22Å
899	W	72.9	Confident	77.3	Confident	48 Å²	48	91.6 Å²	91.6	18%	0.182	49%	0.49	C	S	.	.	B	Isolated β-bridge	trans	-103.3	142.4	179	-72.8	104.9	0	0	0	111.7	R918 I921 C930 S931 G932 T934	W899-R918 HydrophobicContact CD2-CG 4.35Å; W899-R918 HydrophobicContact CE3-CB 4.36Å; W899-R918 HydrophobicContact CE3-CG 3.55Å; W899-R918 HydrophobicContact CZ3-CG 3.79Å; W899-I921 VanDerWaalsContact C-CD1 3.4Å; W899-I921 WeakPolarHBondContact O-CD1 3.46Å; W899-C930 HydrophobicContact CH2-CB 4.13Å; W899-C930 HydrophobicContact CZ2-CB 3.87Å; W899-S931 PolarHBondContact NE1-O 3.36Å; W899-G932 WeakPolarHBondContact CH2-O 3.48Å; W899-G932 WeakPolarHBondContact CZ2-O 3.26Å; W899-T934 HydrophobicContact CH2-CG2 3.97Å; W899-T934 HydrophobicContact CZ3-CG2 4.05Å
900	S	79.1	Confident	77.4	Confident	37 Å²	37	91.1 Å²	91.1	26%	0.259	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-65.3	164.5	166.2	76.6	0	0	0	0	110.7	Q919	S900-Q919 WeakPolarHBondContact CB-O 3.14Å; S900-Q919 PolarHBondContact N-O 2.79Å; S900-Q919 PolarHBondContact OG-N 3.33Å; S900-Q919 PolarHBondContact OG-O 3.14Å
901	E	81.4	Confident	77.1	Confident	183 Å²	183	94.1 Å²	94.1	86%	0.855	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-55.7	150.1	162.2	-65.5	-158.9	156.9	0	0	110.5
902	W	84.3	Confident	77.2	Confident	79 Å²	79	92.9 Å²	92.9	30%	0.299	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-69.5	143.8	174	-72.3	98.8	0	0	0	110.4	R916 R918 E936	W902-R916 HydrophobicContact CD2-CG 4.48Å; W902-R916 HydrophobicContact CE3-CG 3.79Å; W902-R916 HydrophobicContact CZ3-CG 4.22Å; W902-R918 HydrophobicContact CD2-CB 4.03Å; W902-R918 HydrophobicContact CD2-CG 4.06Å; W902-R918 HydrophobicContact CE3-CB 3.85Å; W902-R918 HydrophobicContact CE3-CG 3.79Å; W902-R918 HydrophobicContact CG-CB 4.48Å; W902-R918 HydrophobicContact CH2-CG 3.86Å; W902-R918 VanDerWaalsContact CZ2-CD 3.46Å; W902-R918 HydrophobicContact CZ2-CG 4.11Å; W902-R918 VanDerWaalsContact CZ2-CZ 3.49Å; W902-R918 VanDerWaalsContact CZ2-NE 3.27Å; W902-R918 HydrophobicContact CZ3-CB 4.24Å; W902-R918 HydrophobicContact CZ3-CG 3.69Å; W902-E936 HydrophobicContact CH2-CB 3.91Å; W902-E936 HydrophobicContact CZ3-CB 3.89Å
903	S	86.3	Confident	77.7	Confident	57 Å²	57	90 Å²	90	40%	0.399	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-64.2	162.1	167.3	75.5	0	0	0	0	111.2	A917	S903-A917 WeakPolarHBondContact CB-O 3.1Å; S903-A917 PolarHBondContact N-O 2.74Å; S903-A917 PolarHBondContact OG-N 2.9Å; S903-A917 PolarHBondContact OG-O 2.69Å
904	D	85.7	Confident	78.3	Confident	153 Å²	153	87.8 Å²	87.8	82%	0.818	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-56.6	155.5	163.3	-67.2	-44.1	0	0	0	111
905	W	86.1	Confident	79.2	Confident	63 Å²	63	84.2 Å²	84.2	24%	0.239	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-69.6	137.8	174.9	-71.2	97.5	0	0	0	110.8	Q914 R916 E936 R938	W905-Q914 HydrophobicContact CB-CB 4.49Å; W905-Q914 HydrophobicContact CE3-CB 3.95Å; W905-Q914 WeakPolarHBondContact CZ3-O 3.46Å; W905-R916 HydrophobicContact CD2-CB 4.11Å; W905-R916 HydrophobicContact CD2-CG 4.07Å; W905-R916 HydrophobicContact CE3-CB 3.99Å; W905-R916 HydrophobicContact CE3-CG 3.94Å; W905-R916 HydrophobicContact CH2-CG 3.85Å; W905-R916 HydrophobicContact CZ2-CG 3.97Å; W905-R916 HydrophobicContact CZ3-CB 4.33Å; W905-R916 HydrophobicContact CZ3-CG 3.82Å; W905-E936 HydrophobicContact CH2-CB 4.33Å; W905-E936 HydrophobicContact CH2-CG 3.96Å; W905-E936 WeakPolarHBondContact CZ3-O 3.37Å; W905-R938 HydrophobicContact CD2-CG 4.28Å; W905-R938 HydrophobicContact CE3-CG 3.82Å; W905-R938 HydrophobicContact CH2-CB 3.78Å; W905-R938 HydrophobicContact CH2-CG 3.7Å; W905-R938 HydrophobicContact CZ2-CB 4.49Å; W905-R938 HydrophobicContact CZ2-CG 4.18Å; W905-R938 HydrophobicContact CZ3-CB 3.89Å; W905-R938 HydrophobicContact CZ3-CG 3.51Å
906	S	85.3	Confident	80.6	Confident	44 Å²	44	83.9 Å²	83.9	31%	0.308	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-62.8	162.7	174	73.7	0	0	0	0	112.5	Q914 V915	S906-Q914 WeakPolarHBondContact O-CG 3.38Å; S906-Q914 PolarHBondContact O-NE2 2.99Å; S906-Q914 VanDerWaalsContact O-NE2 3.16Å; S906-V915 WeakPolarHBondContact CB-O 3.43Å; S906-V915 PolarHBondContact N-O 3.4Å; S906-V915 PolarHBondContact OG-N 2.88Å; S906-V915 PolarHBondContact OG-O 3.02Å
907	E	85.1	Confident	81.6	Confident	177 Å²	177	80.8 Å²	80.8	83%	0.827	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-57.8	158.2	161.7	-64.9	-167.3	167	0	0	110.7	E909	E907-E909 PolarHBondContact O-N 3.21Å
908	C	84.9	Confident	83	Confident	60 Å²	60	73.5 Å²	73.5	41%	0.405	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-68.7	117.1	-178.6	-168.4	0	0	0	0	110	C940	C908-C940 VanDerWaalsContact CA-SG 3.54Å; C908-C940 HydrophobicContact CB-CB 4.09Å; C908-C940 WeakPolarHBondContact CB-SG 3.46Å; C908-C940 WeakPolarHBondContact SG-CB 3.31Å; C908-C940 CovalentContact SG-SG 2.01Å; C908-C940 PolarHBondContact SG-SG 3.25Å
909	E	84.1	Confident	83.8	Confident	106 Å²	106	79.5 Å²	79.5	50%	0.495	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-64.9	158	172.1	-70.6	-177.5	-179.3	0	0	110.6	E907 S911 G912 V913	E907-E909 PolarHBondContact O-N 3.21Å; E909-S911 VanDerWaalsContact CB-OG 3.32Å; E909-S911 WeakPolarHBondContact CB-OG 3.47Å; E909-S911 PolarHBondContact O-N 2.83Å; E909-S911 PolarHBondContact OE2-OG 2.91Å; E909-G912 PolarHBondContact O-N 2.83Å; E909-V913 PolarHBondContact N-O 3Å
910	A	79.7	Confident	84	Confident	122 Å²	122	79.3 Å²	79.3	100%	1.008	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-16	174.8	0	0	0	0	0	113.7
911	S	77.6	Confident	83.8	Confident	81 Å²	81	82.7 Å²	82.7	57%	0.566	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-6.2	174.8	60.2	0	0	0	0	114.6	E909	E909-S911 VanDerWaalsContact CB-OG 3.32Å; E909-S911 WeakPolarHBondContact CB-OG 3.47Å; E909-S911 PolarHBondContact O-N 2.83Å; E909-S911 PolarHBondContact OE2-OG 2.91Å
912	G	80.8	Confident	83	Confident	30 Å²	30	77.7 Å²	77.7	31%	0.309	44%	0.435	S	S	.	.	S	Bend	trans	81.8	24.1	-179.4	0	0	0	0	0	114.7	E909 P939 C940	E909-G912 PolarHBondContact O-N 2.83Å; G912-P939 WeakPolarHBondContact O-CA 3.31Å; G912-C940 PolarHBondContact O-N 3.49Å; G912-C940 PolarHBondContact O-SG 3.29Å; G912-C940 VanDerWaalsContact O-SG 3.41Å
913	V	84.3	Confident	81.9	Confident	43 Å²	43	81.4 Å²	81.4	26%	0.261	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.5	-175.5	-177.4	0	0	0	0	110.8	E909 V915 R938 C940	E909-V913 PolarHBondContact N-O 3Å; V913-V915 HydrophobicContact CG1-CG2 4.35Å; V913-R938 CarbonylContact C-O 3.57Å; V913-R938 WeakPolarHBondContact CA-O 3.26Å; V913-R938 WeakPolarHBondContact CG1-O 3.2Å; V913-C940 PolarHBondContact N-SG 3.05Å
914	Q	89.2	Confident	80.6	Confident	40 Å²	40	87.5 Å²	87.5	19%	0.187	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.4	166.2	-63.9	-174.3	-43.6	0	0	109.8	W905 S906 S937 R938	W905-Q914 HydrophobicContact CB-CB 4.49Å; W905-Q914 HydrophobicContact CE3-CB 3.95Å; W905-Q914 WeakPolarHBondContact CZ3-O 3.46Å; S906-Q914 WeakPolarHBondContact O-CG 3.38Å; S906-Q914 PolarHBondContact O-NE2 2.99Å; S906-Q914 VanDerWaalsContact O-NE2 3.16Å; Q914-S937 CarbonylContact O-C 3.59Å; Q914-S937 WeakPolarHBondContact O-CA 3.42Å; Q914-R938 HydrophobicContact CB-CG 4.17Å; Q914-R938 PolarHBondContact N-O 3.13Å; Q914-R938 PolarHBondContact O-N 3.44Å
915	V	86.6	Confident	79.2	Confident	44 Å²	44	83.8 Å²	83.8	27%	0.267	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.3	-176.9	-173.8	0	0	0	0	110.6	S906 V913 E936	S906-V915 WeakPolarHBondContact CB-O 3.43Å; S906-V915 PolarHBondContact N-O 3.4Å; S906-V915 PolarHBondContact OG-N 2.88Å; S906-V915 PolarHBondContact OG-O 3.02Å; V913-V915 HydrophobicContact CG1-CG2 4.35Å; V915-E936 CarbonylContact C-O 3.52Å; V915-E936 VanDerWaalsContact CA-O 3.32Å; V915-E936 WeakPolarHBondContact CA-O 3.09Å
916	R	91.6	Very high	77.6	Confident	61 Å²	61	88.8 Å²	88.8	23%	0.23	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	154.9	168.5	65.7	174.4	-178	-178.1	-3.3	111.4	W902 W905 T935 E936	W902-R916 HydrophobicContact CD2-CG 4.48Å; W902-R916 HydrophobicContact CE3-CG 3.79Å; W902-R916 HydrophobicContact CZ3-CG 4.22Å; W905-R916 HydrophobicContact CD2-CB 4.11Å; W905-R916 HydrophobicContact CD2-CG 4.07Å; W905-R916 HydrophobicContact CE3-CB 3.99Å; W905-R916 HydrophobicContact CE3-CG 3.94Å; W905-R916 HydrophobicContact CH2-CG 3.85Å; W905-R916 HydrophobicContact CZ2-CG 3.97Å; W905-R916 HydrophobicContact CZ3-CB 4.33Å; W905-R916 HydrophobicContact CZ3-CG 3.82Å; R916-T935 CarbonylContact O-C 3.55Å; R916-T935 VanDerWaalsContact O-CA 3.27Å; R916-T935 WeakPolarHBondContact O-CA 2.95Å; R916-E936 HydrophobicContact CG-CB 3.95Å; R916-E936 IonicContact CZ-OE2 3.08Å; R916-E936 PolarHBondContact N-O 3.07Å; R916-E936 IonicContact NE-OE2 2.74Å; R916-E936 PolarHBondContact NE-OE2 3.31Å; R916-E936 IonicContact NH2-OE1 3.51Å; R916-E936 IonicContact NH2-OE2 2.64Å; R916-E936 PolarHBondContact NH2-OE2 2.98Å; R916-E936 PolarHBondContact O-N 3.44Å
917	A	86.7	Confident	76.5	Confident	44 Å²	44	90.1 Å²	90.1	36%	0.364	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155.3	-175.8	0	0	0	0	0	113.1	S903 T934 T935	S903-A917 WeakPolarHBondContact CB-O 3.1Å; S903-A917 PolarHBondContact N-O 2.74Å; S903-A917 PolarHBondContact OG-N 2.9Å; S903-A917 PolarHBondContact OG-O 2.69Å; A917-T934 CarbonylContact C-O 3.3Å; A917-T934 VanDerWaalsContact CA-O 3.27Å; A917-T934 WeakPolarHBondContact CA-O 3.48Å; A917-T935 HydrophobicContact CB-CG2 4.21Å
918	R	88	Confident	75.2	Confident	44 Å²	44	86.4 Å²	86.4	17%	0.166	51%	0.506	C	S	.	.			trans	-138.4	155.8	171.7	60.4	174.4	177.4	177.1	2	110.8	W899 W902 N933 T934	W899-R918 HydrophobicContact CD2-CG 4.35Å; W899-R918 HydrophobicContact CE3-CB 4.36Å; W899-R918 HydrophobicContact CE3-CG 3.55Å; W899-R918 HydrophobicContact CZ3-CG 3.79Å; W902-R918 HydrophobicContact CD2-CB 4.03Å; W902-R918 HydrophobicContact CD2-CG 4.06Å; W902-R918 HydrophobicContact CE3-CB 3.85Å; W902-R918 HydrophobicContact CE3-CG 3.79Å; W902-R918 HydrophobicContact CG-CB 4.48Å; W902-R918 HydrophobicContact CH2-CG 3.86Å; W902-R918 VanDerWaalsContact CZ2-CD 3.46Å; W902-R918 HydrophobicContact CZ2-CG 4.11Å; W902-R918 VanDerWaalsContact CZ2-CZ 3.49Å; W902-R918 VanDerWaalsContact CZ2-NE 3.27Å; W902-R918 HydrophobicContact CZ3-CB 4.24Å; W902-R918 HydrophobicContact CZ3-CG 3.69Å; R918-N933 PolarHBondContact NE-O 3.13Å; R918-N933 PolarHBondContact NH2-O 2.93Å; R918-T934 PolarHBondContact N-O 3.27Å
919	Q	80.2	Confident	74.1	Confident	153 Å²	153	86.9 Å²	86.9	72%	0.715	50%	0.502	S	S	*	.			trans	-112.4	150.9	-177.9	-63.3	-179.2	-0.7	0	0	111.3	S900	S900-Q919 WeakPolarHBondContact CB-O 3.14Å; S900-Q919 PolarHBondContact N-O 2.79Å; S900-Q919 PolarHBondContact OG-N 3.33Å; S900-Q919 PolarHBondContact OG-O 3.14Å
920	C	75.9	Confident	73.3	Confident	44 Å²	44	83.3 Å²	83.3	30%	0.297	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-79.1	120.8	171.8	-174.6	0	0	0	0	108.1	L922 C930	C920-L922 PolarHBondContact O-N 2.92Å; C920-C930 HydrophobicContact CB-CB 3.84Å; C920-C930 WeakPolarHBondContact CB-SG 3.33Å; C920-C930 WeakPolarHBondContact SG-CB 3.29Å; C920-C930 CovalentContact SG-SG 2.04Å; C920-C930 PolarHBondContact SG-SG 2.65Å
921	I	74.9	Confident	72.5	Confident	109 Å²	109	81.3 Å²	81.3	56%	0.559	47%	0.467	S	S	*	.			trans	-71.4	-14.7	-175.7	-58.2	167.5	0	0	0	111.4	S898 W899 L923	S898-I921 PolarHBondContact O-N 2.88Å; W899-I921 VanDerWaalsContact C-CD1 3.4Å; W899-I921 WeakPolarHBondContact O-CD1 3.46Å; I921-L923 PolarHBondContact O-N 3.27Å
922	L	66.5	Low	72.3	Confident	78 Å²	78	79.6 Å²	79.6	41%	0.408	46%	0.462	S	S	.	.			trans	-80.6	118.3	-176.7	-66	167.1	0	0	0	111.6	C920 F924 Q929	C920-L922 PolarHBondContact O-N 2.92Å; L922-F924 PolarHBondContact O-N 2.03Å; L922-Q929 HydrophobicContact CD1-CB 4.15Å
923	L	61.2	Low	71.9	Confident	157 Å²	157	84 Å²	84	82%	0.822	48%	0.479	S	S	*	.	S	Bend	trans	-63.7	-15.7	-179.7	-79	151.7	0	0	0	114.6	I921	I921-L923 PolarHBondContact O-N 3.27Å
924	F	58	Low	71.7	Confident	185 Å²	185	85.9 Å²	85.9	81%	0.811	49%	0.49	S	S	*	.	S	Bend	trans	-152.6	81.1	177.9	-63.4	-80.1	0	0	0	112.1	L922	L922-F924 PolarHBondContact O-N 2.03Å
925	P	56.6	Low	71.4	Confident	75 Å²	75	87.5 Å²	87.5	49%	0.487	50%	0.503	S	S	.	.			trans	-77.9	123.5	-178	28.2	-29.6	0	0	0	111.9
926	M	52.8	Low	71.4	Confident	167 Å²	167	88.9 Å²	88.9	82%	0.823	51%	0.506	S	S	*	.			trans	-109.4	110.8	169	-64.7	-157.4	96.1	0	0	109.5	Q929	M926-Q929 VanDerWaalsContact N-OE1 3.13Å; M926-Q929 VanDerWaalsContact O-CD 3.31Å; M926-Q929 PolarHBondContact O-OE1 3.28Å
927	G	61.6	Low	71.1	Confident	72 Å²	72	90 Å²	90	74%	0.742	52%	0.524	S	S	*	.	S	Bend	trans	88.6	-154.6	178.9	0	0	0	0	0	114.5	Q929	G927-Q929 PolarHBondContact O-N 3.4Å
928	S	57.8	Low	71	Confident	100 Å²	100	92.8 Å²	92.8	70%	0.699	53%	0.525	S	S	*	.	S	Bend	trans	-74.5	26	-174.3	51.7	0	0	0	0	115.1	C930 S931	S928-C930 VanDerWaalsContact C-N 3.31Å; S928-C930 PolarHBondContact O-N 2.9Å; S928-S931 WeakPolarHBondContact CB-OG 3.35Å; S928-S931 PolarHBondContact O-OG 3.28Å
929	Q	61.1	Low	70.8	Confident	70 Å²	70	95.4 Å²	95.4	33%	0.327	55%	0.548	S	S	.	.	S	Bend	trans	-72.6	-17.8	-170.3	-73.7	176	-30.5	0	0	115	S898 L922 M926 G927	S898-Q929 PolarHBondContact OG-O 3.22Å; L922-Q929 HydrophobicContact CD1-CB 4.15Å; M926-Q929 VanDerWaalsContact N-OE1 3.13Å; M926-Q929 VanDerWaalsContact O-CD 3.31Å; M926-Q929 PolarHBondContact O-OE1 3.28Å; G927-Q929 PolarHBondContact O-N 3.4Å
930	C	67.6	Low	70.8	Confident	30 Å²	30	89.2 Å²	89.2	20%	0.203	52%	0.521	C	S	.	.	S	Bend	trans	-122.8	79.7	165.7	-76.9	0	0	0	0	107.9	W899 C920 S928	W899-C930 HydrophobicContact CH2-CB 4.13Å; W899-C930 HydrophobicContact CZ2-CB 3.87Å; C920-C930 HydrophobicContact CB-CB 3.84Å; C920-C930 WeakPolarHBondContact CB-SG 3.33Å; C920-C930 WeakPolarHBondContact SG-CB 3.29Å; C920-C930 CovalentContact SG-SG 2.04Å; C920-C930 PolarHBondContact SG-SG 2.65Å; S928-C930 VanDerWaalsContact C-N 3.31Å; S928-C930 PolarHBondContact O-N 2.9Å
931	S	64.5	Low	70.5	Confident	81 Å²	81	92.9 Å²	92.9	57%	0.566	54%	0.542	S	S	*	.			trans	-91.2	128.7	178.3	-69.8	0	0	0	0	111	W899 S928	W899-S931 PolarHBondContact NE1-O 3.36Å; S928-S931 WeakPolarHBondContact CB-OG 3.35Å; S928-S931 PolarHBondContact O-OG 3.28Å
932	G	71.8	Confident	69.8	Low	45 Å²	45	96.3 Å²	96.3	46%	0.464	55%	0.553	S	S	.	*	S	Bend	trans	126.7	164	-175.3	0	0	0	0	0	111.9	W899	W899-G932 WeakPolarHBondContact CH2-O 3.48Å; W899-G932 WeakPolarHBondContact CZ2-O 3.26Å
933	N	73.7	Confident	69	Low	122 Å²	122	99.7 Å²	99.7	65%	0.652	57%	0.572	S	S	*	*			trans	-68.2	141.1	-177.6	-68.1	-6	0	0	0	111.6	R918 T935	R918-N933 PolarHBondContact NE-O 3.13Å; R918-N933 PolarHBondContact NH2-O 2.93Å; N933-T935 VanDerWaalsContact C-N 3.31Å; N933-T935 VanDerWaalsContact CB-O 3.31Å; N933-T935 WeakPolarHBondContact CB-O 3.29Å
934	T	79.3	Confident	68.3	Low	82 Å²	82	97 Å²	97	50%	0.503	57%	0.566	S	S	.	*	S	Bend	trans	-77.8	-19.9	170.9	47.9	0	0	0	0	112.3	W899 A917 R918	W899-T934 HydrophobicContact CH2-CG2 3.97Å; W899-T934 HydrophobicContact CZ3-CG2 4.05Å; A917-T934 CarbonylContact C-O 3.3Å; A917-T934 VanDerWaalsContact CA-O 3.27Å; A917-T934 WeakPolarHBondContact CA-O 3.48Å; R918-T934 PolarHBondContact N-O 3.27Å
935	T	82.3	Confident	67.5	Low	75 Å²	75	95.1 Å²	95.1	46%	0.46	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.2	142.1	-179.7	53.7	0	0	0	0	110.7	R916 A917 N933	R916-T935 CarbonylContact O-C 3.55Å; R916-T935 VanDerWaalsContact O-CA 3.27Å; R916-T935 WeakPolarHBondContact O-CA 2.95Å; A917-T935 HydrophobicContact CB-CG2 4.21Å; N933-T935 VanDerWaalsContact C-N 3.31Å; N933-T935 VanDerWaalsContact CB-O 3.31Å; N933-T935 WeakPolarHBondContact CB-O 3.29Å
936	E	86.7	Confident	66.8	Low	72 Å²	72	100.3 Å²	100.3	34%	0.336	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.6	134.2	175.6	-171.1	-178.2	174.9	0	0	109.5	W902 W905 V915 R916	W902-E936 HydrophobicContact CH2-CB 3.91Å; W902-E936 HydrophobicContact CZ3-CB 3.89Å; W905-E936 HydrophobicContact CH2-CB 4.33Å; W905-E936 HydrophobicContact CH2-CG 3.96Å; W905-E936 WeakPolarHBondContact CZ3-O 3.37Å; V915-E936 CarbonylContact C-O 3.52Å; V915-E936 VanDerWaalsContact CA-O 3.32Å; V915-E936 WeakPolarHBondContact CA-O 3.09Å; R916-E936 HydrophobicContact CG-CB 3.95Å; R916-E936 IonicContact CZ-OE2 3.08Å; R916-E936 PolarHBondContact N-O 3.07Å; R916-E936 IonicContact NE-OE2 2.74Å; R916-E936 PolarHBondContact NE-OE2 3.31Å; R916-E936 IonicContact NH2-OE1 3.51Å; R916-E936 IonicContact NH2-OE2 2.64Å; R916-E936 PolarHBondContact NH2-OE2 2.98Å; R916-E936 PolarHBondContact O-N 3.44Å
937	S	85.7	Confident	66.1	Low	86 Å²	86	99.9 Å²	99.9	60%	0.601	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.5	135.1	180	59.2	0	0	0	0	110.6	Q914	Q914-S937 CarbonylContact O-C 3.59Å; Q914-S937 WeakPolarHBondContact O-CA 3.42Å
938	R	84.8	Confident	64.9	Low	101 Å²	101	101.6 Å²	101.6	38%	0.381	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.6	149.2	171.7	74.8	179	-179.3	-178.8	-0.1	111.2	W905 V913 Q914	W905-R938 HydrophobicContact CD2-CG 4.28Å; W905-R938 HydrophobicContact CE3-CG 3.82Å; W905-R938 HydrophobicContact CH2-CB 3.78Å; W905-R938 HydrophobicContact CH2-CG 3.7Å; W905-R938 HydrophobicContact CZ2-CB 4.49Å; W905-R938 HydrophobicContact CZ2-CG 4.18Å; W905-R938 HydrophobicContact CZ3-CB 3.89Å; W905-R938 HydrophobicContact CZ3-CG 3.51Å; V913-R938 CarbonylContact C-O 3.57Å; V913-R938 WeakPolarHBondContact CA-O 3.26Å; V913-R938 WeakPolarHBondContact CG1-O 3.2Å; Q914-R938 HydrophobicContact CB-CG 4.17Å; Q914-R938 PolarHBondContact N-O 3.13Å; Q914-R938 PolarHBondContact O-N 3.44Å
939	P	83.2	Confident	63.6	Low	100 Å²	100	105.9 Å²	105.9	65%	0.649	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-62.7	144.5	171	2.3	5.1	0	0	0	111.1	G912 V941	G912-P939 WeakPolarHBondContact O-CA 3.31Å; P939-V941 PolarHBondContact O-N 3.5Å
940	C	81.2	Confident	62.5	Low	22 Å²	22	109.2 Å²	109.2	15%	0.149	61%	0.611	C	S	.	*			trans	-66.9	124.1	173.4	-57.3	0	0	0	0	110	C908 G912 V913 F942	C908-C940 VanDerWaalsContact CA-SG 3.54Å; C908-C940 HydrophobicContact CB-CB 4.09Å; C908-C940 WeakPolarHBondContact CB-SG 3.46Å; C908-C940 WeakPolarHBondContact SG-CB 3.31Å; C908-C940 CovalentContact SG-SG 2.01Å; C908-C940 PolarHBondContact SG-SG 3.25Å; G912-C940 PolarHBondContact O-N 3.49Å; G912-C940 PolarHBondContact O-SG 3.29Å; G912-C940 VanDerWaalsContact O-SG 3.41Å; V913-C940 PolarHBondContact N-SG 3.05Å; C940-F942 PolarHBondContact O-N 3.48Å
941	V	69.6	Low	60.8	Low	121 Å²	121	113 Å²	113	73%	0.733	64%	0.638	S	S	*	*			trans	-86.3	104.9	174.5	-176.8	0	0	0	0	107.4	P939 D943	P939-V941 PolarHBondContact O-N 3.5Å; V941-D943 PolarHBondContact O-N 3.02Å
942	F	60.1	Low	59.6	Low	182 Å²	182	116 Å²	116	80%	0.798	65%	0.652	S	S	*	*			trans	-74.4	104.8	165.4	-74.9	-82.1	0	0	0	107.8	C940 S944	C940-F942 PolarHBondContact O-N 3.48Å; F942-S944 PolarHBondContact O-N 2.83Å; F942-S944 VanDerWaalsContact O-N 3.11Å
943	D	49.9	Very low	57.8	Low	149 Å²	149	117.9 Å²	117.9	80%	0.797	66%	0.664	S	S	*	*			trans	-73.4	99.5	179.5	-144.5	-5.9	0	0	0	109.1	V941	V941-D943 PolarHBondContact O-N 3.02Å
944	S	45.4	Very low	55.9	Low	99 Å²	99	123.4 Å²	123.4	69%	0.692	68%	0.675	S	S	*	*			trans	-127.6	87.6	158.5	66.9	0	0	0	0	108.7	F942	F942-S944 PolarHBondContact O-N 2.83Å; F942-S944 VanDerWaalsContact O-N 3.11Å
945	N	41.8	Very low	53.8	Low	147 Å²	147	124.7 Å²	124.7	79%	0.786	69%	0.687	S	S	*	*			trans	67.8	101.5	152.7	-59.8	-33.6	0	0	0	118.8
946	F	41.6	Very low	51.5	Low	184 Å²	184	125.9 Å²	125.9	81%	0.807	70%	0.699	S	S	*	*				44.7	114.3	110.8	-108.8	-97.6	0	0	0	118.5
947	I	39.3	Very low	49	Very low	157 Å²	157	127.4 Å²	127.4	81%	0.805	72%	0.717	S	S	*	*				176.3	131.7	105.5	-79.5	151.2	0	0	0	109.4
948	P	36.2	Very low	46.6	Very low	109 Å²	109	129.6 Å²	129.6	71%	0.708	73%	0.727	S	S	*	*			trans	-101.4	164.2	-177.5	29.7	-14.6	0	0	0	115.7
949	E	30.8	Very low	44.2	Very low	190 Å²	190	132.2 Å²	132.2	89%	0.888	74%	0.743	S	S	*	*			trans	1.2	130.5	166.5	-66.4	-174.8	144.9	0	0	121.1
950	V	37.5	Very low	41.8	Very low	140 Å²	140	136.6 Å²	136.6	85%	0.848	76%	0.755	S	S	*	*			trans	-147.9	133.3	138.4	179.2	0	0	0	0	111
951	S	31.8	Very low	39.7	Very low	110 Å²	110	144.1 Å²	144.1	77%	0.769	79%	0.786	S	S	*	*			trans	-81.5	142.4	175.3	41.8	0	0	0	0	113.3
952	V	38.4	Very low	38.1	Very low	143 Å²	143	149.8 Å²	149.8	87%	0.867	79%	0.794	S	S	*	*			trans	-138.8	123.8	162.3	179.1	0	0	0	0	110.7
953	A	34.9	Very low	37.2	Very low	85 Å²	85	148 Å²	148	70%	0.702	80%	0.802	S	S	*	*			trans	-77.3	153.6	174.2	0	0	0	0	0	113
954	R	34	Very low	36.9	Very low	237 Å²	237	143.9 Å²	143.9	89%	0.894	80%	0.795	S	S	*	*				167.9	142.5	114.9	-101.5	177.7	174.7	146.8	0	114.5
955	S	33.8	Very low	37	Very low	109 Å²	109	148.2 Å²	148.2	76%	0.762	80%	0.804	S	S	*	*			trans	73.7	142.4	149.1	74.4	0	0	0	0	118.4
956	S	34.9	Very low	37.7	Very low	100 Å²	100	150.4 Å²	150.4	70%	0.699	81%	0.807	S	S	*	*			cis	175.9	154.3	-28.2	43.2	0	0	0	0	105.6
957	S	35.1	Very low	38.8	Very low	104 Å²	104	147.1 Å²	147.1	73%	0.727	80%	0.798	S	S	*	*			trans	66.1	105.5	162.5	53.7	0	0	0	0	117.9
958	V	34.8	Very low	40.3	Very low	133 Å²	133	145.7 Å²	145.7	81%	0.806	79%	0.789	S	S	*	*				73.3	105.8	84.8	172.4	0	0	0	0	111.8
959	E	34.3	Very low	42.1	Very low	155 Å²	155	147.7 Å²	147.7	72%	0.724	79%	0.787	S	S	*	*				178.2	128.8	108.7	-124	168.9	-154.4	0	0	112.6
960	E	33.4	Very low	44	Very low	192 Å²	192	145 Å²	145	90%	0.897	77%	0.774	S	S	*	*			trans	-59.6	132.6	162.3	-66.1	173.1	132	0	0	110.4
961	K	36.3	Very low	45.6	Very low	181 Å²	181	145 Å²	145	79%	0.787	77%	0.766	S	S	*	*			trans	-132.4	108.9	160.3	-82	-174.2	179.8	167.3	0	112.3
962	R	36.8	Very low	48	Very low	240 Å²	240	143.6 Å²	143.6	91%	0.906	75%	0.75	S	S	*	*			trans	-44.2	132.8	155.6	-74.2	169.5	168.4	173.5	-4.4	110.1	G964	R962-G964 VanDerWaalsContact C-N 3.26Å; R962-G964 PolarHBondContact O-N 3.2Å
963	C	40.2	Very low	50	Low	144 Å²	144	139.4 Å²	139.4	97%	0.973	73%	0.73	S	S	*	*			trans	-67.2	89.9	162.4	-77.1	0	0	0	0	108.8
964	G	44.6	Very low	52.2	Low	62 Å²	62	139.8 Å²	139.8	64%	0.639	72%	0.723	S	S	*	*			trans	-77.9	137.2	171.2	0	0	0	0	0	111.5	R962	R962-G964 VanDerWaalsContact C-N 3.26Å; R962-G964 PolarHBondContact O-N 3.2Å
965	E	46.7	Very low	54.5	Low	191 Å²	191	130.2 Å²	130.2	89%	0.893	70%	0.698	S	S	*	*			trans	6	114.6	154.4	-64.2	175.4	158.7	0	0	116.9	N967	E965-N967 PolarHBondContact O-N 2.84Å
966	F	55.4	Low	57.1	Low	192 Å²	192	130 Å²	130	84%	0.842	69%	0.688	S	S	*	*			trans	-58.4	105.1	170.4	-83.7	-91.4	0	0	0	110.5
967	N	65.6	Low	59.5	Low	115 Å²	115	128.5 Å²	128.5	62%	0.615	68%	0.678	S	S	*	*			trans	-75.3	135.4	174.3	-142.1	-10.7	0	0	0	109.7	E965 F969 H970	E965-N967 PolarHBondContact O-N 2.84Å; N967-F969 PolarHBondContact O-N 3.46Å; N967-H970 PolarHBondContact O-N 3.1Å
968	M	69.9	Low	61.9	Low	127 Å²	127	127 Å²	127	63%	0.626	67%	0.667	S	S	*	*	H	α-helix	trans	-48.9	-29.3	-171.6	-173.3	179.2	70.2	0	0	114.4	H970 M971 I972	M968-H970 PolarHBondContact O-N 3.16Å; M968-M971 PolarHBondContact O-N 3.46Å; M968-I972 HydrophobicContact CE-CD1 4.41Å; M968-I972 HydrophobicContact CG-CD1 4.15Å; M968-I972 WeakPolarHBondContact O-CG1 3.47Å; M968-I972 PolarHBondContact O-N 3.03Å
969	F	74.6	Confident	64.5	Low	151 Å²	151	123.9 Å²	123.9	66%	0.662	65%	0.652	S	S	*	*	H	α-helix	trans	-62.7	-34	177.4	-71.6	-81.3	0	0	0	114.2	N967 I972 A973	N967-F969 PolarHBondContact O-N 3.46Å; F969-I972 PolarHBondContact O-N 3.49Å; F969-A973 WeakPolarHBondContact O-CB 3.29Å; F969-A973 PolarHBondContact O-N 3.17Å
970	H	70.9	Confident	67.2	Low	134 Å²	134	121.6 Å²	121.6	62%	0.62	64%	0.643	S	S	*	*	H	α-helix	trans	-70.5	-35.7	178.2	-97.6	-69.9	0	0	0	112.3	N967 M968 A973 V974	N967-H970 PolarHBondContact O-N 3.1Å; M968-H970 PolarHBondContact O-N 3.16Å; H970-A973 PolarHBondContact O-N 3.19Å; H970-V974 WeakPolarHBondContact O-CG2 3.07Å; H970-V974 PolarHBondContact O-N 3.26Å
971	M	71.9	Confident	69.9	Low	139 Å²	139	117.8 Å²	117.8	69%	0.685	63%	0.629	S	S	*	*	H	α-helix	trans	-65.7	-40.3	172.9	-78.3	-85.1	-81.7	0	0	111.5	M968 G975	M968-M971 PolarHBondContact O-N 3.46Å; M971-G975 PolarHBondContact O-N 3.32Å
972	I	81.2	Confident	72.5	Confident	82 Å²	82	110.8 Å²	110.8	42%	0.421	61%	0.607	S	S	.	*	H	α-helix	trans	-65.4	-43.7	176.1	-64.2	168.1	0	0	0	110.7	M968 F969 G975 L976	M968-I972 HydrophobicContact CE-CD1 4.41Å; M968-I972 HydrophobicContact CG-CD1 4.15Å; M968-I972 WeakPolarHBondContact O-CG1 3.47Å; M968-I972 PolarHBondContact O-N 3.03Å; F969-I972 PolarHBondContact O-N 3.49Å; I972-G975 PolarHBondContact O-N 2.89Å; I972-L976 HydrophobicContact CG2-CD1 3.88Å; I972-L976 HydrophobicContact CG2-CG 4.28Å; I972-L976 WeakPolarHBondContact O-CB 3.37Å; I972-L976 VanDerWaalsContact O-CG 3.32Å; I972-L976 WeakPolarHBondContact O-CG 3.42Å; I972-L976 PolarHBondContact O-N 3.29Å
973	A	79.8	Confident	75.1	Confident	55 Å²	55	102.6 Å²	102.6	46%	0.455	59%	0.586	S	S	.	*	H	α-helix	trans	-63.5	-43.4	179.1	0	0	0	0	0	112.4	F969 H970 L976 S977	F969-A973 WeakPolarHBondContact O-CB 3.29Å; F969-A973 PolarHBondContact O-N 3.17Å; H970-A973 PolarHBondContact O-N 3.19Å; A973-L976 PolarHBondContact O-N 2.93Å; A973-S977 WeakPolarHBondContact O-CB 3.11Å; A973-S977 PolarHBondContact O-N 2.83Å; A973-S977 PolarHBondContact O-OG 2.88Å
974	V	82.2	Confident	77.5	Confident	92 Å²	92	100.5 Å²	100.5	56%	0.558	57%	0.565	S	S	*	*	H	α-helix	trans	-66.1	-41.6	176.1	175.1	0	0	0	0	110.8	H970 L976 S977 S978	H970-V974 WeakPolarHBondContact O-CG2 3.07Å; H970-V974 PolarHBondContact O-N 3.26Å; V974-L976 PolarHBondContact O-N 2.89Å; V974-S977 WeakPolarHBondContact CA-OG 3.47Å; V974-S977 PolarHBondContact O-N 3.31Å; V974-S977 PolarHBondContact O-OG 2.78Å; V974-S978 PolarHBondContact O-N 3.33Å; V974-S978 PolarHBondContact O-OG 3.38Å
975	G	81.6	Confident	79.7	Confident	36 Å²	36	102.4 Å²	102.4	37%	0.371	56%	0.56	S	S	.	*	H	α-helix	trans	-63	-38.7	175.5	0	0	0	0	0	114	M971 I972 S978 S979	M971-G975 PolarHBondContact O-N 3.32Å; I972-G975 PolarHBondContact O-N 2.89Å; G975-S978 PolarHBondContact O-OG 2.79Å; G975-S978 VanDerWaalsContact O-OG 3.06Å; G975-S979 WeakPolarHBondContact O-CB 3.42Å; G975-S979 PolarHBondContact O-N 2.93Å; G975-S979 VanDerWaalsContact O-N 3.12Å
976	L	89.2	Confident	81.7	Confident	104 Å²	104	97.7 Å²	97.7	55%	0.545	54%	0.544	S	S	.	.	H	α-helix	trans	-69.3	-40.5	174.4	-71.5	173.1	0	0	0	111.3	I972 A973 V974 S978 S979 I980	I972-L976 HydrophobicContact CG2-CD1 3.88Å; I972-L976 HydrophobicContact CG2-CG 4.28Å; I972-L976 WeakPolarHBondContact O-CB 3.37Å; I972-L976 VanDerWaalsContact O-CG 3.32Å; I972-L976 WeakPolarHBondContact O-CG 3.42Å; I972-L976 PolarHBondContact O-N 3.29Å; A973-L976 PolarHBondContact O-N 2.93Å; V974-L976 PolarHBondContact O-N 2.89Å; L976-S978 PolarHBondContact O-N 2.9Å; L976-S979 PolarHBondContact O-N 3.08Å; L976-I980 VanDerWaalsContact O-CG1 3.29Å; L976-I980 WeakPolarHBondContact O-CG1 3.35Å; L976-I980 PolarHBondContact O-N 3.38Å
977	S	85.6	Confident	83.5	Confident	69 Å²	69	93.5 Å²	93.5	48%	0.483	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-40.5	178.6	72.3	0	0	0	0	112.7	A973 V974 L981	A973-S977 WeakPolarHBondContact O-CB 3.11Å; A973-S977 PolarHBondContact O-N 2.83Å; A973-S977 PolarHBondContact O-OG 2.88Å; V974-S977 WeakPolarHBondContact CA-OG 3.47Å; V974-S977 PolarHBondContact O-N 3.31Å; V974-S977 PolarHBondContact O-OG 2.78Å; S977-L981 WeakPolarHBondContact O-CB 3.36Å; S977-L981 PolarHBondContact O-N 3.29Å
978	S	85.5	Confident	84.6	Confident	73 Å²	73	93.5 Å²	93.5	51%	0.51	53%	0.529	S	S	.	.	H	α-helix	trans	-71.6	-34.6	177.5	61.1	0	0	0	0	112.2	V974 G975 L976 L981 G982	V974-S978 PolarHBondContact O-N 3.33Å; V974-S978 PolarHBondContact O-OG 3.38Å; G975-S978 PolarHBondContact O-OG 2.79Å; G975-S978 VanDerWaalsContact O-OG 3.06Å; L976-S978 PolarHBondContact O-N 2.9Å; S978-L981 PolarHBondContact O-N 3.05Å; S978-G982 PolarHBondContact O-N 3.23Å
979	S	88	Confident	85.5	Confident	68 Å²	68	91.7 Å²	91.7	48%	0.476	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-43.4	174.1	-177.7	0	0	0	0	112.4	G975 L976 G982 C983	G975-S979 WeakPolarHBondContact O-CB 3.42Å; G975-S979 PolarHBondContact O-N 2.93Å; G975-S979 VanDerWaalsContact O-N 3.12Å; L976-S979 PolarHBondContact O-N 3.08Å; S979-G982 PolarHBondContact O-N 2.96Å; S979-C983 PolarHBondContact O-N 3.27Å; S979-C983 PolarHBondContact O-SG 3.17Å
980	I	91.6	Very high	86	Confident	106 Å²	106	91 Å²	91	54%	0.544	52%	0.519	S	S	.	.	H	α-helix	trans	-64.8	-43.3	176.6	-66.7	165.8	0	0	0	110.5	L976 G982 C983 L984	L976-I980 VanDerWaalsContact O-CG1 3.29Å; L976-I980 WeakPolarHBondContact O-CG1 3.35Å; L976-I980 PolarHBondContact O-N 3.38Å; I980-G982 VanDerWaalsContact C-N 3.33Å; I980-G982 PolarHBondContact O-N 3.36Å; I980-C983 PolarHBondContact O-N 3.34Å; I980-L984 HydrophobicContact CG2-CD1 4.09Å; I980-L984 WeakPolarHBondContact O-CG 3.01Å; I980-L984 PolarHBondContact O-N 3.02Å
981	L	90.2	Very high	86.8	Confident	113 Å²	113	87.7 Å²	87.7	59%	0.592	51%	0.508	S	S	*	.	H	α-helix	trans	-63.3	-40.4	177.1	-154.2	82.7	0	0	0	111.6	S977 S978 L984 L985	S977-L981 WeakPolarHBondContact O-CB 3.36Å; S977-L981 PolarHBondContact O-N 3.29Å; S978-L981 PolarHBondContact O-N 3.05Å; L981-L984 PolarHBondContact O-N 3.34Å; L981-L985 PolarHBondContact O-N 2.83Å
982	G	90	Very high	87.3	Confident	33 Å²	33	88.1 Å²	88.1	34%	0.34	50%	0.503	S	S	.	.	H	α-helix	trans	-62.1	-43.2	173.8	0	0	0	0	0	112.8	S978 S979 I980 L985 T986	S978-G982 PolarHBondContact O-N 3.23Å; S979-G982 PolarHBondContact O-N 2.96Å; I980-G982 VanDerWaalsContact C-N 3.33Å; I980-G982 PolarHBondContact O-N 3.36Å; G982-L985 PolarHBondContact O-N 2.82Å; G982-T986 WeakPolarHBondContact O-CG2 3.39Å; G982-T986 PolarHBondContact O-N 3.16Å; G982-T986 PolarHBondContact O-OG1 2.86Å
983	C	91.7	Very high	87.3	Confident	68 Å²	68	87.1 Å²	87.1	46%	0.459	50%	0.503	S	S	.	.	H	α-helix	trans	-66.4	-36.7	176.7	-68.8	0	0	0	0	112.8	S979 I980 T986 L987	S979-C983 PolarHBondContact O-N 3.27Å; S979-C983 PolarHBondContact O-SG 3.17Å; I980-C983 PolarHBondContact O-N 3.34Å; C983-T986 WeakPolarHBondContact CA-OG1 3.41Å; C983-T986 PolarHBondContact O-OG1 3.19Å; C983-L987 WeakPolarHBondContact O-CB 3.29Å; C983-L987 PolarHBondContact O-N 3.04Å
984	L	92.2	Very high	87.3	Confident	100 Å²	100	88.8 Å²	88.8	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-67.9	-40.5	175.6	-76.3	168	0	0	0	111.8	I980 L981 L987 L988	I980-L984 HydrophobicContact CG2-CD1 4.09Å; I980-L984 WeakPolarHBondContact O-CG 3.01Å; I980-L984 PolarHBondContact O-N 3.02Å; L981-L984 PolarHBondContact O-N 3.34Å; L984-L987 PolarHBondContact O-N 3.35Å; L984-L988 WeakPolarHBondContact O-CB 3.46Å; L984-L988 WeakPolarHBondContact O-CG 3.07Å; L984-L988 PolarHBondContact O-N 3.48Å
985	L	90.6	Very high	87	Confident	103 Å²	103	93.6 Å²	93.6	54%	0.539	51%	0.509	S	S	.	.	H	α-helix	trans	-65.1	-42.5	174.9	-87.3	162.1	0	0	0	112	L981 G982 L988 V989	L981-L985 PolarHBondContact O-N 2.83Å; G982-L985 PolarHBondContact O-N 2.82Å; L985-L988 PolarHBondContact O-N 3.25Å; L985-V989 WeakPolarHBondContact O-CG2 3.36Å; L985-V989 PolarHBondContact O-N 3.12Å
986	T	89	Confident	86.3	Confident	92 Å²	92	98.8 Å²	98.8	56%	0.564	52%	0.519	S	S	*	.	H	α-helix	trans	-67.2	-37	176.6	52.6	0	0	0	0	112.3	G982 C983 V989 Y990	G982-T986 WeakPolarHBondContact O-CG2 3.39Å; G982-T986 PolarHBondContact O-N 3.16Å; G982-T986 PolarHBondContact O-OG1 2.86Å; C983-T986 WeakPolarHBondContact CA-OG1 3.41Å; C983-T986 PolarHBondContact O-OG1 3.19Å; T986-V989 PolarHBondContact O-N 2.87Å; T986-Y990 VanDerWaalsContact O-CB 3.23Å; T986-Y990 WeakPolarHBondContact O-CB 3.39Å; T986-Y990 PolarHBondContact O-N 2.7Å
987	L	91.9	Very high	84.7	Confident	103 Å²	103	99.3 Å²	99.3	54%	0.539	52%	0.519	S	S	.	.	H	α-helix	trans	-64.8	-39.6	171.7	-89.1	163.4	0	0	0	112.5	C983 L984 Y990 T991	C983-L987 WeakPolarHBondContact O-CB 3.29Å; C983-L987 PolarHBondContact O-N 3.04Å; L984-L987 PolarHBondContact O-N 3.35Å; L987-Y990 PolarHBondContact O-N 2.83Å; L987-T991 WeakPolarHBondContact O-CB 3.06Å; L987-T991 VanDerWaalsContact O-CG2 3.31Å; L987-T991 WeakPolarHBondContact O-CG2 3.08Å; L987-T991 PolarHBondContact O-N 2.79Å; L987-T991 PolarHBondContact O-OG1 2.77Å
988	L	89.5	Confident	83.1	Confident	116 Å²	116	103.3 Å²	103.3	61%	0.607	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-43.7	174.4	-83.7	169.2	0	0	0	111.9	L984 L985 T991 Y992	L984-L988 WeakPolarHBondContact O-CB 3.46Å; L984-L988 WeakPolarHBondContact O-CG 3.07Å; L984-L988 PolarHBondContact O-N 3.48Å; L985-L988 PolarHBondContact O-N 3.25Å; L988-T991 WeakPolarHBondContact CA-OG1 3.34Å; L988-T991 PolarHBondContact O-OG1 3.31Å; L988-Y992 VanDerWaalsContact O-CB 3.25Å; L988-Y992 WeakPolarHBondContact O-CB 3.43Å; L988-Y992 PolarHBondContact O-N 3.33Å
989	V	87.7	Confident	81.2	Confident	88 Å²	88	107.8 Å²	107.8	53%	0.533	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-41.6	175.1	173.1	0	0	0	0	110.8	L985 T986 Y992 C993	L985-V989 WeakPolarHBondContact O-CG2 3.36Å; L985-V989 PolarHBondContact O-N 3.12Å; T986-V989 PolarHBondContact O-N 2.87Å; V989-Y992 PolarHBondContact O-N 2.97Å; V989-C993 WeakPolarHBondContact O-CB 3.45Å; V989-C993 PolarHBondContact O-N 3.39Å; V989-C993 PolarHBondContact O-SG 3.14Å; V989-C993 VanDerWaalsContact O-SG 3.34Å
990	Y	86.2	Confident	79.2	Confident	138 Å²	138	108 Å²	108	54%	0.541	54%	0.544	S	S	.	.	H	α-helix	trans	-63.2	-45.6	177.6	-179.3	-97.5	0	0	0	112	T986 L987 C993 Q994	T986-Y990 VanDerWaalsContact O-CB 3.23Å; T986-Y990 WeakPolarHBondContact O-CB 3.39Å; T986-Y990 PolarHBondContact O-N 2.7Å; L987-Y990 PolarHBondContact O-N 2.83Å; Y990-C993 PolarHBondContact O-N 2.84Å; Y990-Q994 HydrophobicContact CE1-CG 4.12Å; Y990-Q994 WeakPolarHBondContact O-CB 3.37Å; Y990-Q994 PolarHBondContact O-N 3.13Å; Y990-Q994 PolarHBondContact OH-NE2 3.46Å
991	T	87.1	Confident	76.7	Confident	64 Å²	64	108.3 Å²	108.3	39%	0.393	54%	0.543	S	S	.	.	H	α-helix	trans	-68.3	-34.4	177.3	52	0	0	0	0	112.3	L987 L988 R995	L987-T991 WeakPolarHBondContact O-CB 3.06Å; L987-T991 VanDerWaalsContact O-CG2 3.31Å; L987-T991 WeakPolarHBondContact O-CG2 3.08Å; L987-T991 PolarHBondContact O-N 2.79Å; L987-T991 PolarHBondContact O-OG1 2.77Å; L988-T991 WeakPolarHBondContact CA-OG1 3.34Å; L988-T991 PolarHBondContact O-OG1 3.31Å; T991-R995 PolarHBondContact O-N 3.15Å
992	Y	83.5	Confident	74.1	Confident	147 Å²	147	110.8 Å²	110.8	58%	0.576	56%	0.557	S	S	*	*	H	α-helix	trans	-64.7	-46.9	171.4	-174.3	-95.3	0	0	0	111.4	L988 V989 Q994 R995 Y996	L988-Y992 VanDerWaalsContact O-CB 3.25Å; L988-Y992 WeakPolarHBondContact O-CB 3.43Å; L988-Y992 PolarHBondContact O-N 3.33Å; V989-Y992 PolarHBondContact O-N 2.97Å; Y992-Q994 PolarHBondContact O-N 3.38Å; Y992-R995 PolarHBondContact O-N 3.45Å; Y992-Y996 HydrophobicContact CE1-CD2 4.04Å; Y992-Y996 AromaticContact CZ-CD2 3.98Å; Y992-Y996 PolarHBondContact O-N 2.85Å
993	C	81	Confident	71.5	Confident	61 Å²	61	113.4 Å²	113.4	41%	0.412	58%	0.575	S	S	.	*	H	α-helix	trans	-63.2	-39.2	175.4	-74.5	0	0	0	0	112.4	V989 Y990 Y996 Q997	V989-C993 WeakPolarHBondContact O-CB 3.45Å; V989-C993 PolarHBondContact O-N 3.39Å; V989-C993 PolarHBondContact O-SG 3.14Å; V989-C993 VanDerWaalsContact O-SG 3.34Å; Y990-C993 PolarHBondContact O-N 2.84Å; C993-Y996 PolarHBondContact O-N 3.31Å; C993-Q997 WeakPolarHBondContact O-CB 3.37Å; C993-Q997 PolarHBondContact O-N 3.05Å
994	Q	78.4	Confident	68.9	Low	91 Å²	91	114.7 Å²	114.7	43%	0.425	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-41.1	174.3	-100.9	-163.6	-18.7	0	0	112.1	Y990 Y992 Q997 Q998	Y990-Q994 HydrophobicContact CE1-CG 4.12Å; Y990-Q994 WeakPolarHBondContact O-CB 3.37Å; Y990-Q994 PolarHBondContact O-N 3.13Å; Y990-Q994 PolarHBondContact OH-NE2 3.46Å; Y992-Q994 PolarHBondContact O-N 3.38Å; Q994-Q997 PolarHBondContact O-N 3.08Å; Q994-Q998 WeakPolarHBondContact O-CB 3.25Å; Q994-Q998 PolarHBondContact O-N 3.46Å
995	R	76	Confident	66	Low	192 Å²	192	116.1 Å²	116.1	73%	0.725	59%	0.594	S	S	*	*	H	α-helix	trans	-66.8	-38	175	-79.4	-173.2	175.8	178.7	0.4	112.4	T991 Y992 Q998 Q999	T991-R995 PolarHBondContact O-N 3.15Å; Y992-R995 PolarHBondContact O-N 3.45Å; R995-Q998 PolarHBondContact O-N 3.06Å; R995-Q999 PolarHBondContact O-N 3.39Å
996	Y	67.5	Low	63.2	Low	146 Å²	146	118.3 Å²	118.3	57%	0.573	61%	0.605	S	S	*	*	H	α-helix	trans	-71.2	-33.6	176.5	-132.1	-89.3	0	0	0	112.2	Y992 C993 Q999 S1000	Y992-Y996 HydrophobicContact CE1-CD2 4.04Å; Y992-Y996 AromaticContact CZ-CD2 3.98Å; Y992-Y996 PolarHBondContact O-N 2.85Å; C993-Y996 PolarHBondContact O-N 3.31Å; Y996-Q999 PolarHBondContact O-N 2.87Å; Y996-S1000 PolarHBondContact O-N 3.45Å; Y996-S1000 PolarHBondContact O-OG 2.72Å
997	Q	56.3	Low	60.3	Low	115 Å²	115	122.7 Å²	122.7	54%	0.537	62%	0.618	S	S	.	*	H	α-helix	trans	-74.3	-31.8	172.4	-81.3	-171.2	-37.7	0	0	112.8	C993 Q994 Q999 S1000 H1001	C993-Q997 WeakPolarHBondContact O-CB 3.37Å; C993-Q997 PolarHBondContact O-N 3.05Å; Q994-Q997 PolarHBondContact O-N 3.08Å; Q997-Q999 PolarHBondContact O-N 2.86Å; Q997-S1000 WeakPolarHBondContact CA-OG 3.32Å; Q997-S1000 PolarHBondContact O-N 2.95Å; Q997-S1000 PolarHBondContact O-OG 2.93Å; Q997-H1001 WeakPolarHBondContact O-CB 3.28Å; Q997-H1001 PolarHBondContact O-CD2 2.71Å; Q997-H1001 PolarHBondContact O-N 3.15Å
998	Q	50.3	Low	57.8	Low	152 Å²	152	122.6 Å²	122.6	71%	0.71	62%	0.623	S	S	*	*	H	α-helix	trans	-67.9	-21.9	170.1	-95.9	177.4	-24.3	0	0	112.9	Q994 R995	Q994-Q998 WeakPolarHBondContact O-CB 3.25Å; Q994-Q998 PolarHBondContact O-N 3.46Å; R995-Q998 PolarHBondContact O-N 3.06Å
999	Q	46.2	Very low	55.2	Low	167 Å²	167	123.5 Å²	123.5	78%	0.78	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-10.8	170.9	-94.5	179.9	-22	0	0	114.4	R995 Y996 Q997	R995-Q999 PolarHBondContact O-N 3.39Å; Y996-Q999 PolarHBondContact O-N 2.87Å; Q997-Q999 PolarHBondContact O-N 2.86Å
1000	S	45.7	Very low	52.5	Low	72 Å²	72	124.6 Å²	124.6	50%	0.503	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.1	-5.6	177.8	66	0	0	0	0	114.9	Y996 Q997	Y996-S1000 PolarHBondContact O-N 3.45Å; Y996-S1000 PolarHBondContact O-OG 2.72Å; Q997-S1000 WeakPolarHBondContact CA-OG 3.32Å; Q997-S1000 PolarHBondContact O-N 2.95Å; Q997-S1000 PolarHBondContact O-OG 2.93Å
1001	H	40.1	Very low	50.1	Low	113 Å²	113	123.7 Å²	123.7	52%	0.523	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92	4	178.9	-90.6	-61.5	0	0	0	116.7	Q997 A1003	Q997-H1001 WeakPolarHBondContact O-CB 3.28Å; Q997-H1001 PolarHBondContact O-CD2 2.71Å; Q997-H1001 PolarHBondContact O-N 3.15Å; H1001-A1003 VanDerWaalsContact C-N 3.28Å; H1001-A1003 PolarHBondContact O-N 2.77Å
1002	D	35.4	Very low	47.5	Very low	165 Å²	165	124.9 Å²	124.9	88%	0.882	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	17	169.6	-82.5	-17.4	0	0	0	114
1003	A	35.8	Very low	45.1	Very low	89 Å²	89	124.1 Å²	124.1	74%	0.736	69%	0.686	S	S	*	*	S	Bend	trans	-127.8	46.4	173.1	0	0	0	0	0	112.4	H1001	H1001-A1003 VanDerWaalsContact C-N 3.28Å; H1001-A1003 PolarHBondContact O-N 2.77Å
1004	T	36.9	Very low	42.8	Very low	95 Å²	95	129.6 Å²	129.6	58%	0.583	71%	0.71	S	S	*	*	S	Bend	trans	-128.7	117.9	165.1	45.8	0	0	0	0	111
1005	V	30.7	Very low	40.4	Very low	129 Å²	129	132.9 Å²	132.9	78%	0.782	73%	0.731	S	S	*	*			trans	65.9	92.6	158.2	-166.9	0	0	0	0	116.2
1006	I	32.7	Very low	38.3	Very low	150 Å²	150	130.6 Å²	130.6	77%	0.769	74%	0.738	S	S	*	*			trans	-129.2	109.9	144.4	-51.7	179.2	0	0	0	106.8	P1008	I1006-P1008 HydrophobicContact CG2-CB 4.26Å; I1006-P1008 HydrophobicContact CG2-CG 3.76Å; I1006-P1008 WeakPolarHBondContact O-CD 3.35Å
1007	H	27.9	Very low	36.5	Very low	184 Å²	184	128.7 Å²	128.7	85%	0.852	75%	0.746	S	S	*	*			trans	-76.6	123.5	149.2	-84.9	-82.2	0	0	0	106.7
1008	P	39.2	Very low	35.4	Very low	100 Å²	100	131.4 Å²	131.4	65%	0.649	76%	0.762	S	S	*	*			trans	-134.1	112.7	152.5	32.9	-15.8	0	0	0	111.5	I1006	I1006-P1008 HydrophobicContact CG2-CB 4.26Å; I1006-P1008 HydrophobicContact CG2-CG 3.76Å; I1006-P1008 WeakPolarHBondContact O-CD 3.35Å
1009	V	35.1	Very low	34.4	Very low	136 Å²	136	129.5 Å²	129.5	82%	0.824	76%	0.761	S	S	*	*			trans	12	127.4	130	-168.1	0	0	0	0	116.9
1010	S	31.6	Very low	33.8	Very low	111 Å²	111	127.8 Å²	127.8	78%	0.776	76%	0.757	S	S	*	*			trans	-32.1	139.8	164.8	-164.9	0	0	0	0	114.8
1011	P	34.6	Very low	33.3	Very low	118 Å²	118	131.4 Å²	131.4	77%	0.766	77%	0.766	S	S	*	*				-152.7	152.1	113.7	32.7	-12.4	0	0	0	117.7
1012	A	32.9	Very low	32.9	Very low	89 Å²	89	132.2 Å²	132.2	74%	0.736	77%	0.773	S	S	*	*			trans	11.4	143.4	151.1	0	0	0	0	0	122.9
1013	P	33	Very low	32.8	Very low	132 Å²	132	131.7 Å²	131.7	86%	0.857	77%	0.77	S	S	*	*			trans	-85.8	136.8	174.3	35.5	-30	0	0	0	111.9
1014	L	32.4	Very low	32.4	Very low	175 Å²	175	136.9 Å²	136.9	92%	0.916	78%	0.776	S	S	*	*			trans	-107.6	123.6	168.1	-92.4	157.6	0	0	0	110
1015	N	27.4	Very low	32.1	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	79%	0.788	S	S	*	*			trans	-63.6	135.9	169.1	-85.9	-25.9	0	0	0	111.6
1016	T	32.9	Very low	32.1	Very low	143 Å²	143	140.8 Å²	140.8	88%	0.877	79%	0.788	S	S	*	*			trans	-146.2	112.7	143.9	39.8	0	0	0	0	109.8
1017	S	28.9	Very low	32	Very low	106 Å²	106	142.3 Å²	142.3	74%	0.741	79%	0.789	S	S	*	*			trans	-65.1	139.6	165.3	55.4	0	0	0	0	111.2
1018	I	34.1	Very low	32.1	Very low	172 Å²	172	143 Å²	143	88%	0.882	79%	0.786	S	S	*	*			trans	-153.1	110.1	136.7	-90.6	140.7	0	0	0	106.8
1019	T	29.8	Very low	31.8	Very low	112 Å²	112	144.2 Å²	144.2	69%	0.687	79%	0.787	S	S	*	*			trans	-68.9	140.5	165.2	41.4	0	0	0	0	110.2
1020	N	34	Very low	31.6	Very low	131 Å²	131	142 Å²	142	70%	0.701	78%	0.778	S	S	*	*				175.6	125.1	116.3	-90.9	-12.3	0	0	0	114.8
1021	H	34.2	Very low	31.7	Very low	148 Å²	148	142.8 Å²	142.8	69%	0.685	78%	0.777	S	S	*	*			trans	89	115.2	132.9	-78.2	-55.4	0	0	0	122.5
1022	I	31.9	Very low	31.6	Very low	131 Å²	131	146.3 Å²	146.3	67%	0.672	78%	0.784	S	S	*	*			trans	83.7	115.8	130.9	-62.9	168.1	0	0	0	113.7
1023	N	32.2	Very low	31.6	Very low	154 Å²	154	145 Å²	145	82%	0.824	77%	0.773	S	S	*	*			cis	-159.7	151	36.1	-106.9	-25.8	0	0	0	112.4
1024	K	27.9	Very low	31.9	Very low	198 Å²	198	144.1 Å²	144.1	86%	0.861	76%	0.76	S	S	*	*			trans	-63.9	130.8	172.8	-77.7	168.7	167.9	174.1	0	112.5
1025	L	31.1	Very low	31.9	Very low	157 Å²	157	146 Å²	146	82%	0.822	76%	0.76	S	S	*	*				-169.5	146.6	123	-119.1	84.6	0	0	0	108.5
1026	D	31.2	Very low	32	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	74%	0.743	S	S	*	*			trans	83.3	81.1	171.7	-55.5	-20.6	0	0	0	119.9
1027	K	30.2	Very low	31.9	Very low	182 Å²	182	144 Å²	144	79%	0.791	74%	0.744	S	S	*	*			trans	0.5	129.2	136.7	-112.5	-177	175.8	-180	0	118.1
1028	Y	30.2	Very low	32.1	Very low	198 Å²	198	145 Å²	145	78%	0.776	74%	0.74	S	S	*	*			trans	68.5	90.9	157.7	-70.9	-83.9	0	0	0	117.8
1029	D	32.2	Very low	31.9	Very low	127 Å²	127	146.2 Å²	146.2	68%	0.679	74%	0.739	S	S	*	*				-153.1	111	128.1	-100.7	-21.4	0	0	0	109.1	V1031	D1029-V1031 PolarHBondContact O-N 3.05Å
1030	S	31.4	Very low	32	Very low	90 Å²	90	148.2 Å²	148.2	63%	0.629	75%	0.746	S	S	*	*			trans	-73.5	92.5	-178	50.1	0	0	0	0	110.9	E1032	S1030-E1032 PolarHBondContact O-N 2.93Å
1031	V	34	Very low	31.9	Very low	127 Å²	127	150 Å²	150	77%	0.77	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	1.1	169	177.5	0	0	0	0	112.1	D1029	D1029-V1031 PolarHBondContact O-N 3.05Å
1032	E	32.5	Very low	31.7	Very low	192 Å²	192	150.7 Å²	150.7	90%	0.897	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	5.4	-178.9	-75.3	-176.7	145.9	0	0	115.7	S1030	S1030-E1032 PolarHBondContact O-N 2.93Å
1033	A	33.1	Very low	31.7	Very low	62 Å²	62	152 Å²	152	51%	0.512	77%	0.77	S	S	.	*	S	Bend	trans	-95.9	-12.4	179.6	0	0	0	0	0	115.5	K1035	A1033-K1035 VanDerWaalsContact C-N 3.31Å; A1033-K1035 PolarHBondContact O-N 3.49Å
1034	I	38.2	Very low	31.7	Very low	113 Å²	113	152.5 Å²	152.5	58%	0.579	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	4.2	-172.3	-55.3	176.6	0	0	0	113
1035	K	32.2	Very low	32	Very low	213 Å²	213	150.8 Å²	150.8	93%	0.926	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	7.9	175.4	-85.2	-176.3	177.4	176.3	0	115.1	A1033	A1033-K1035 VanDerWaalsContact C-N 3.31Å; A1033-K1035 PolarHBondContact O-N 3.49Å
1036	A	29.9	Very low	32.1	Very low	61 Å²	61	151.7 Å²	151.7	50%	0.504	77%	0.767	S	S	.	*	S	Bend	trans	-129.2	142	170.9	0	0	0	0	0	109
1037	F	30.9	Very low	32.2	Very low	202 Å²	202	155 Å²	155	89%	0.886	77%	0.768	S	S	*	*			trans	88.4	65.3	178.4	-58	-83.5	0	0	0	117.6
1038	N	32	Very low	32.3	Very low	126 Å²	126	152.3 Å²	152.3	67%	0.674	76%	0.763	S	S	*	*			trans	-143.8	58.8	137.7	-130.3	-18.1	0	0	0	109.9
1039	K	30.9	Very low	32.5	Very low	198 Å²	198	152.2 Å²	152.2	86%	0.861	77%	0.766	S	S	*	*			trans	-98.7	85.7	164.6	-87.3	-177.6	175.1	176.2	0	107
1040	N	32	Very low	32.4	Very low	154 Å²	154	156 Å²	156	82%	0.824	77%	0.772	S	S	*	*			trans	-162.1	60.8	159.4	-88.2	-23.5	0	0	0	109.2
1041	N	30.9	Very low	32.5	Very low	168 Å²	168	162.1 Å²	162.1	90%	0.898	79%	0.788	S	S	*	*			trans	-128.2	78.5	159.5	-92.4	-17.9	0	0	0	106.6
1042	L	31.6	Very low	32.4	Very low	164 Å²	164	162.6 Å²	162.6	86%	0.859	79%	0.787	S	S	*	*			trans	-120.3	98.3	164.5	-86.3	163.9	0	0	0	107.3	L1044	L1042-L1044 PolarHBondContact O-N 3.4Å
1043	I	32	Very low	32.8	Very low	158 Å²	158	157.5 Å²	157.5	81%	0.81	77%	0.77	S	S	*	*			trans	-58.1	123	157	-64.2	164.8	0	0	0	106.1
1044	L	30.7	Very low	32.8	Very low	164 Å²	164	162.4 Å²	162.4	86%	0.859	78%	0.782	S	S	*	*			trans	-117	104	171	-137.6	133.3	0	0	0	107.8	L1042	L1042-L1044 PolarHBondContact O-N 3.4Å
1045	E	35.1	Very low	32.7	Very low	163 Å²	163	164.7 Å²	164.7	76%	0.762	80%	0.795	S	S	*	*			trans	-68.1	142.7	170.7	-79.1	177.7	147.2	0	0	111.6
1046	E	32.5	Very low	32.9	Very low	175 Å²	175	160.6 Å²	160.6	82%	0.818	79%	0.788	S	S	*	*			trans	35	117.2	144.8	-61.5	-171.8	156.6	0	0	121
1047	R	34.1	Very low	33	Very low	218 Å²	218	161.1 Å²	161.1	82%	0.823	80%	0.798	S	S	*	*				171.2	130.8	106.1	-105.3	177.1	167.4	158.6	-2.5	113.9
1048	N	32.1	Very low	33.3	Very low	125 Å²	125	161.8 Å²	161.8	67%	0.668	80%	0.801	S	S	*	*			trans	66.5	113.5	143.6	-58.5	-20.4	0	0	0	119.9
1049	K	33.6	Very low	33.2	Very low	196 Å²	196	161.5 Å²	161.5	85%	0.852	80%	0.804	S	S	*	*				174.5	114.7	101.5	-92.3	170.9	-176.1	178.8	0	112.9
1050	Y	31	Very low	33.3	Very low	206 Å²	206	163.4 Å²	163.4	81%	0.808	81%	0.807	S	S	*	*			trans	5.2	130.3	144.8	-68.3	-93.4	0	0	0	119.6
1051	F	32.5	Very low	33.2	Very low	220 Å²	220	160.2 Å²	160.2	97%	0.965	80%	0.797	S	S	*	*				-159.5	145.4	111.8	-111.8	-83.9	0	0	0	110.6
1052	N	33.4	Very low	33.1	Very low	137 Å²	137	159.7 Å²	159.7	73%	0.733	80%	0.795	S	S	*	*			trans	-114.5	-164.1	-155.2	-157.4	16.4	0	0	0	110.1
1053	P	39.9	Very low	33.1	Very low	84 Å²	84	155.3 Å²	155.3	55%	0.545	78%	0.782	S	S	.	*				-122.5	174	-95.3	35.4	-18	0	0	0	115.4
1054	H	34.6	Very low	32.9	Very low	166 Å²	166	158 Å²	158	77%	0.769	78%	0.783	S	S	*	*			trans	148.8	115.2	130.5	-92.5	-79.1	0	0	0	113
1055	L	34.8	Very low	33	Very low	161 Å²	161	159.3 Å²	159.3	84%	0.843	78%	0.783	S	S	*	*				-170.9	110.4	120.9	-127.6	78.5	0	0	0	111.7
1056	T	36.1	Very low	32.8	Very low	127 Å²	127	157.1 Å²	157.1	78%	0.779	78%	0.78	S	S	*	*			trans	4.2	139.8	143.3	56.8	0	0	0	0	118.7
1057	G	33.2	Very low	32.9	Very low	71 Å²	71	155.9 Å²	155.9	73%	0.732	78%	0.779	S	S	*	*			cis	146.1	132	10.2	0	0	0	0	0	109.4
1058	K	36.5	Very low	32.9	Very low	216 Å²	216	152.1 Å²	152.1	94%	0.939	78%	0.775	S	S	*	*			trans	171.2	110	139	-95.1	176.8	-174.8	-176.8	0	111.4
1059	T	30.5	Very low	33.1	Very low	121 Å²	121	152.2 Å²	152.2	74%	0.742	78%	0.776	S	S	*	*			trans	-65.4	150.8	163	38.7	0	0	0	0	112.9
1060	Y	33.4	Very low	33.2	Very low	237 Å²	237	149.1 Å²	149.1	93%	0.929	77%	0.768	S	S	*	*				-162.8	144.1	124.8	-93.6	-70.5	0	0	0	110.7
1061	S	29.3	Very low	33.6	Very low	87 Å²	87	149.8 Å²	149.8	61%	0.608	77%	0.771	S	S	*	*			trans	-116.3	164.6	-171	49.6	0	0	0	0	111.6
1062	N	29.5	Very low	33.7	Very low	158 Å²	158	146.3 Å²	146.3	85%	0.845	76%	0.762	S	S	*	*			trans	76.3	159.8	160.9	-53	-21.2	0	0	0	116.5
1063	A	30.6	Very low	33.9	Very low	72 Å²	72	148.4 Å²	148.4	60%	0.595	77%	0.768	S	S	*	*			cis	-175.9	154.9	-32.1	0	0	0	0	0	104.9
1064	Y	28.8	Very low	33.6	Very low	213 Å²	213	159 Å²	159	84%	0.835	80%	0.799	S	S	*	*			trans	63.9	129.6	165.7	-69.3	-85.9	0	0	0	119.6
1065	F	32.3	Very low	33.6	Very low	192 Å²	192	158.6 Å²	158.6	84%	0.842	80%	0.8	S	S	*	*				-165.8	112.7	122.6	-108	-77.8	0	0	0	110.4
1066	T	29.8	Very low	33.5	Very low	117 Å²	117	158.5 Å²	158.5	72%	0.718	80%	0.798	S	S	*	*			trans	-80.2	138.2	150.5	41.1	0	0	0	0	107.9
1067	D	35.6	Very low	33.4	Very low	149 Å²	149	160.2 Å²	160.2	80%	0.797	80%	0.799	S	S	*	*			trans	-156.6	145.5	145.5	-111.4	-25.6	0	0	0	114.1
1068	L	33.7	Very low	33.4	Very low	140 Å²	140	165.5 Å²	165.5	73%	0.733	80%	0.803	S	S	*	*			trans	-80	163.9	-173.8	-98.3	81.6	0	0	0	113.7
1069	N	37	Very low	33.2	Very low	127 Å²	127	162.3 Å²	162.3	68%	0.679	80%	0.795	S	S	*	*			trans	103.7	121	141.2	-72.9	-18.2	0	0	0	121
1070	N	35	Very low	33.4	Very low	130 Å²	130	165.1 Å²	165.1	70%	0.695	80%	0.798	S	S	*	*			trans	70.2	115.6	141.4	-65.3	-3	0	0	0	119.1
1071	Y	38.7	Very low	33.4	Very low	221 Å²	221	159.9 Å²	159.9	87%	0.867	79%	0.789	S	S	*	*				-173.4	144.3	95.7	-108.2	-87.1	0	0	0	111.1
1072	D	36.3	Very low	33.7	Very low	147 Å²	147	165.5 Å²	165.5	79%	0.786	80%	0.803	S	S	*	*			trans	-65.2	161.8	-176.7	-77.3	-55	0	0	0	116.7
1073	E	36.2	Very low	34.1	Very low	180 Å²	180	166.2 Å²	166.2	84%	0.841	80%	0.799	S	S	*	*			trans	69.1	104.3	150.7	-78.2	180	166.2	0	0	120.8
1074	Y	34.9	Very low	34.4	Very low	306 Å²	306	174.7 Å²	174.7	100%	1.2	82%	0.818	S	S	*	*				-161.8	0	112.5	-109.9	-79	0	0	0	111.7

Retrieved 1,074 of 1,074 residues in 348.9 ms (Link to these results)

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