A0A087XT55_POEFO Loading...

Integrin, alpha 11a

AlphaFold DB , UniProt , Accession A0A087XT55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,198 aa.

						>A0A087XT55_POEFO|A0A087XT55
LKMFCTINIKSIFSLFQGFHDCFNIDTKKPRIIKGPKQTQFGYTIQQHVAAGGEKWLLVGAPYEMTGSYQTGDVYKCALSKRTNGNSCSKLNLGKISLTNVSERKDKMRLGMTLVSNPKDSSFVACGPLWSYECGSSYYSTGLCSKVNASFKFSRTIIPAFQRCETFMDIVIVLDGSNSIYPWYEVQDFLINILQKFHVGPGQIQVGVVQYGEKVVHEFKLSDYKSVEEVVKRARSIDQRGGEETNTALGISTARSQAFKQGGRRGAKKVMIVITDGESHDSPDLQQAIEDSEKDGITRYAIAVLGYYNRRGINPETFLNEIKYIASDPDDKHFFNVTDEAALKDIVDALGERIFSLEGTSKNGTAFGLQMSQAGFSAHNVEDGILVGAVGAYDWNGAVLKETRQGKVIPPKSSYTQEFPEELKNHGAYLASGYTVTSVVSSRNGRLLVAGAPRFNHTGKVIIFTLKNTGNLTILHSLKGHQIGSYYGSEIAPVDIDGDGITDNLLVAAPMFFSAGMEKGKVYIYRVTETNRFVPEGALEIHNGGQNARFGSSLAPVPDLNGDGFNDLVVGAPLEDDHKGAIYIFFSHHNRILRKYKQRIAAVDLAPGLQYFGRSIHGNMDMNDDGLVDLAVGSLGAAVLLWSRSVVRIYANVRFEPSKVNIFVKDCQRGGKDVTCMSAIVCFNITARTAIPPTQEIGIRYNVSILERRFNPRAVMDQPSKMQPQNLTLLTGGEACEHIYFHVMETTDYARPIVFAVQVGLEETDEGPVLDDSWPAVVKTEQLPFWNGCDEDDRCMPDLSLQSANDLMTRKQFCARPVQSRGIFCRHQGGAGSEGSLRVVEGSKKRMVVDVKLENRGENAYNALVNITYTPNLRFSSLIVKDTSEIKIDCSTEEKKRNEKICNISAPFMRAKSQVSFRLEFEFSRAVFLDHLRVLLEATSDGEEVNRADNVNDIYYSLGYEGDLLFTSKRDSNPTRYEIKPELSLEEPGVIGPPFNFTFQIQNLGYFPVRDLQLNIEIPEMTKNGNQLLQIFDFYIDERDGTRCLPPQHIALSRASPEDLSRFSRLNQSNTLTLPIQCTVNIASHRDIGVRITGALRIDTLHALKFKVLELITSASMELPSASPMFLHEEKPVRHIILEIRKEGDYRIPTWIIVGSTLGGLLLLALLSLALWKLGFFRRQKRKDKEEQEANGKVAEER
					

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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	L	36.3	Very low	26.8	Very low	235 Å²	235	163.4 Å²	163.4	100%	1.23	84%	0.841	S	S	*	*				0	96.6	0	-82.6	81.3	0	0	0	108.9
2	K	26.6	Very low	26.8	Very low	207 Å²	207	161 Å²	161	90%	0.9	83%	0.829	S	S	*	*			trans	-98.3	154.2	163.3	-96.1	177.1	172.1	176.3	0	106.7
3	M	24.3	Very low	26.8	Very low	177 Å²	177	161.2 Å²	161.2	87%	0.872	82%	0.82	S	S	*	*			trans	79.4	98.9	-179.5	-64.2	-177.7	-168.7	0	0	115.6
4	F	23.9	Very low	26.7	Very low	212 Å²	212	155.4 Å²	155.4	93%	0.93	80%	0.802	S	S	*	*				169.1	75	127	-94.4	-72.9	0	0	0	106.8
5	C	22.3	Very low	26.8	Very low	126 Å²	126	154.7 Å²	154.7	85%	0.851	80%	0.799	S	S	*	*			trans	-133.6	76.2	170.7	-156	0	0	0	0	107.6
6	T	28.8	Very low	26.9	Very low	128 Å²	128	156.6 Å²	156.6	79%	0.785	80%	0.8	S	S	*	*			trans	-171.4	100.3	165.2	2.3	0	0	0	0	105.7
7	I	25.5	Very low	27.1	Very low	159 Å²	159	158.1 Å²	158.1	82%	0.815	80%	0.802	S	S	*	*	S	Bend	trans	168.8	121.4	146.6	-83.1	150.7	0	0	0	107.9
8	N	28.2	Very low	27.2	Very low	129 Å²	129	152.6 Å²	152.6	69%	0.69	79%	0.792	S	S	*	*			trans	62.2	73.4	161.6	-74.5	-25.3	0	0	0	120.4
9	I	26.8	Very low	27.4	Very low	137 Å²	137	151.9 Å²	151.9	70%	0.703	78%	0.783	S	S	*	*			trans	-116.1	47.6	149.5	-50.7	172.4	0	0	0	109.2	F13	I9-F13 HydrophobicContact CG2-CD2 4.24Å; I9-F13 HydrophobicContact CG2-CE2 4.38Å
10	K	26.1	Very low	27.9	Very low	200 Å²	200	149.8 Å²	149.8	87%	0.87	77%	0.769	S	S	*	*	S	Bend	trans	-118.5	-2.2	170.6	-94.9	-171.9	174.8	-176.5	0	114.3
11	S	26.2	Very low	28.5	Very low	87 Å²	87	147.6 Å²	147.6	61%	0.608	76%	0.759	S	S	*	*	S	Bend	trans	-118.8	1.3	-177.7	-143.6	0	0	0	0	115.1
12	I	26.4	Very low	29.4	Very low	135 Å²	135	140.8 Å²	140.8	69%	0.692	73%	0.73	S	S	*	*	S	Bend	trans	-107.3	-10.4	179.8	-66.8	165.2	0	0	0	112.4
13	F	26.8	Very low	31.6	Very low	164 Å²	164	131.6 Å²	131.6	72%	0.719	69%	0.69	S	S	*	*	S	Bend	trans	-94.2	-0.6	175.1	-92	-81.5	0	0	0	114.7	I9	I9-F13 HydrophobicContact CG2-CD2 4.24Å; I9-F13 HydrophobicContact CG2-CE2 4.38Å
14	S	25.5	Very low	34.6	Very low	80 Å²	80	123.2 Å²	123.2	56%	0.559	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	0.6	179.2	51.2	0	0	0	0	114.7
15	L	28	Very low	37.8	Very low	145 Å²	145	113.3 Å²	113.3	76%	0.759	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	3.8	-179.9	-94.5	131.9	0	0	0	114.7
16	F	28.8	Very low	41.1	Very low	185 Å²	185	108.1 Å²	108.1	81%	0.811	57%	0.569	S	S	*	*	S	Bend	trans	-139.5	41.4	173.9	-77.8	-79.1	0	0	0	112.4
17	Q	29.8	Very low	44	Very low	181 Å²	181	103.6 Å²	103.6	85%	0.846	54%	0.541	S	S	*	.			trans	-99.1	101.3	162.8	-91.7	-176.2	-31.5	0	0	108.8
18	G	29.6	Very low	47	Very low	60 Å²	60	101.7 Å²	101.7	62%	0.619	53%	0.527	S	S	*	.			trans	147.9	54.8	171.5	0	0	0	0	0	114.5
19	F	29.9	Very low	49.8	Very low	140 Å²	140	100.6 Å²	100.6	61%	0.614	52%	0.516	S	S	*	.			trans	-138.7	99.4	160.6	-83.9	-79.9	0	0	0	109.9
20	H	37.5	Very low	52.9	Low	108 Å²	108	95.4 Å²	95.4	50%	0.5	49%	0.491	S	S	.	.			trans	57.9	106.1	149.8	-55.3	-61.9	0	0	0	121.6
21	D	42.3	Very low	56.1	Low	104 Å²	104	89.2 Å²	89.2	56%	0.556	46%	0.462	S	S	*	.			trans	-152.6	53	136.4	-95	-22.2	0	0	0	108.8
22	C	53.3	Low	59.3	Low	92 Å²	92	86.8 Å²	86.8	62%	0.622	44%	0.442	S	S	*	.			trans	-136	108	170.6	-72.5	0	0	0	0	106.8
23	F	72.9	Confident	62.4	Low	14 Å²	14	80.6 Å²	80.6	6%	0.061	41%	0.41	C	S	.	.			trans	-102.9	171.4	167.1	-170.3	-93.8	0	0	0	109.6	I25 N561 F586 Q598 V646 D772	F23-I25 PolarHBondContact O-N 3.04Å; F23-N561 HydrophobicContact CE1-CB 3.43Å; F23-N561 VanDerWaalsContact CE1-CB 3.43Å; F23-N561 HydrophobicContact CZ-CB 3.53Å; F23-F586 HydrophobicContact CD1-CE1 4.32Å; F23-F586 AromaticContact CD1-CE2 3.43Å; F23-F586 HydrophobicContact CD1-CE2 3.43Å; F23-F586 VanDerWaalsContact CD1-CE2 3.43Å; F23-F586 AromaticContact CD1-CZ 3.11Å; F23-F586 HydrophobicContact CD1-CZ 3.11Å; F23-F586 HydrophobicContact CE1-CE1 4.48Å; F23-F586 AromaticContact CE1-CE2 3.5Å; F23-F586 HydrophobicContact CE1-CE2 3.5Å; F23-F586 VanDerWaalsContact CE1-CE2 3.5Å; F23-F586 AromaticContact CE1-CZ 3.25Å; F23-F586 HydrophobicContact CE1-CZ 3.25Å; F23-F586 AromaticContact CG-CE2 3.97Å; F23-F586 HydrophobicContact CG-CE2 3.97Å; F23-F586 HydrophobicContact CG-CZ 4.03Å; F23-F586 HydrophobicContact CZ-CE2 4.1Å; F23-F586 HydrophobicContact CZ-CZ 4.26Å; F23-Q598 PolarHBondContact O-NE2 2.74Å; F23-Q598 PolarHBondContact O-OE1 2.84Å; F23-V646 HydrophobicContact CE1-CG2 4.12Å; F23-V646 HydrophobicContact CE2-CG1 4.06Å; F23-V646 HydrophobicContact CE2-CG2 4.13Å; F23-V646 HydrophobicContact CZ-CB 4.37Å; F23-V646 HydrophobicContact CZ-CG1 3.95Å; F23-V646 HydrophobicContact CZ-CG2 3.45Å; F23-V646 VanDerWaalsContact CZ-CG2 3.45Å; F23-D772 HydrophobicContact CD2-CB 4.38Å
24	N	88.1	Confident	65.5	Low	1 Å²	1	80.3 Å²	80.3	1%	0.005	41%	0.409	C	S	.	.	S	Bend	trans	-48.8	1.5	-149.4	80	-40	0	0	0	121.8	L560 S643 R644 V646 V769	N24-L560 PolarHBondContact ND2-O 3.46Å; N24-S643 CarbonylContact O-C 3.54Å; N24-R644 HydrophobicContact CB-CB 4.45Å; N24-R644 WeakPolarHBondContact CB-O 3.37Å; N24-R644 PolarHBondContact ND2-O 2.81Å; N24-R644 WeakPolarHBondContact O-CA 3.27Å; N24-R644 VanDerWaalsContact O-CB 3.28Å; N24-R644 WeakPolarHBondContact O-CB 3.2Å; N24-R644 PolarHBondContact O-N 2.9Å; N24-V646 HydrophobicContact CB-CG2 3.87Å; N24-V769 HydrophobicContact CB-CG2 3.55Å
25	I	91.7	Very high	68.7	Low	5 Å²	5	77.5 Å²	77.5	3%	0.026	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-79.3	124.1	170.6	-55.5	-54.5	0	0	0	110.1	F23 T27 L560 I584 Q598 I600 L630 L641 S643	F23-I25 PolarHBondContact O-N 3.04Å; I25-T27 PolarHBondContact O-N 2.78Å; I25-L560 HydrophobicContact CD1-CD1 4.36Å; I25-L560 HydrophobicContact CD1-CD2 4.35Å; I25-I584 HydrophobicContact CB-CD1 4.23Å; I25-I584 HydrophobicContact CG1-CD1 3.39Å; I25-Q598 PolarHBondContact O-NE2 3.34Å; I25-I600 HydrophobicContact CB-CD1 3.9Å; I25-I600 HydrophobicContact CG2-CD1 3.65Å; I25-L630 HydrophobicContact CD1-CD1 4Å; I25-L630 HydrophobicContact CD1-CG 4.26Å; I25-L630 HydrophobicContact CG1-CD1 3.98Å; I25-L641 HydrophobicContact CG2-CB 3.51Å; I25-L641 HydrophobicContact CG2-CD1 4.03Å; I25-L641 HydrophobicContact CG2-CG 4.32Å; I25-S643 WeakPolarHBondContact CD1-OG 3.35Å
26	D	90	Very high	71.8	Confident	17 Å²	17	73.2 Å²	73.2	9%	0.091	37%	0.373	C	S	.	.			trans	-72.3	114.1	178.1	-175.4	11.8	0	0	0	111.5	K28 K29 W642 R644	D26-K28 WeakPolarHBondContact OD1-CB 3.43Å; D26-K28 PolarHBondContact OD1-N 2.66Å; D26-K29 PolarHBondContact OD1-N 3.1Å; D26-K29 WeakPolarHBondContact OD2-CB 3.3Å; D26-K29 PolarHBondContact OD2-N 3.22Å; D26-W642 HydrophobicContact CB-CB 4.5Å; D26-W642 WeakPolarHBondContact CB-O 3.26Å; D26-W642 PolarHBondContact N-O 3.21Å; D26-R644 HydrophobicContact CB-CG 3.97Å
27	T	90.1	Very high	74.9	Confident	32 Å²	32	69.2 Å²	69.2	20%	0.196	36%	0.356	C	S	.	.	S	Bend	trans	-95	-10.5	175.2	57.5	0	0	0	0	113.1	I25 I600 L605	I25-T27 PolarHBondContact O-N 2.78Å; T27-I600 HydrophobicContact CG2-CB 4.46Å; T27-I600 HydrophobicContact CG2-CD1 4.04Å; T27-I600 HydrophobicContact CG2-CG1 3.94Å; T27-I600 HydrophobicContact CG2-CG2 3.83Å; T27-L605 HydrophobicContact CG2-CD2 4.16Å; T27-L605 WeakPolarHBondContact O-CD2 3.28Å
28	K	88.4	Confident	77.9	Confident	119 Å²	119	67.9 Å²	67.9	52%	0.517	35%	0.35	S	S	.	.	S	Bend	trans	-87.9	-36	-174.2	-62.3	-169	174	-171.3	0	112.8	D26 P30 D765	D26-K28 WeakPolarHBondContact OD1-CB 3.43Å; D26-K28 PolarHBondContact OD1-N 2.66Å; K28-P30 VanDerWaalsContact O-CD 3.31Å; K28-P30 WeakPolarHBondContact O-CD 3.2Å; K28-D765 HydrophobicContact CD-CB 4.14Å; K28-D765 IonicContact NZ-OD1 2.62Å; K28-D765 PolarHBondContact NZ-OD1 3.49Å; K28-D765 IonicContact NZ-OD2 3.13Å; K28-D765 PolarHBondContact NZ-OD2 2.99Å
29	K	88.3	Confident	81	Confident	106 Å²	106	65.6 Å²	65.6	46%	0.461	32%	0.324	S	S	.	.	S	Bend	trans	-117.9	51.8	179.8	-56.4	178.4	-179.1	178.1	0	113	D26 W642 E766	D26-K29 PolarHBondContact OD1-N 3.1Å; D26-K29 WeakPolarHBondContact OD2-CB 3.3Å; D26-K29 PolarHBondContact OD2-N 3.22Å; K29-W642 PolarHBondContact O-NE1 2.79Å; K29-E766 IonicContact NZ-OE1 2.66Å; K29-E766 PolarHBondContact NZ-OE1 2.94Å; K29-E766 IonicContact NZ-OE2 2.72Å; K29-E766 PolarHBondContact NZ-OE2 2.9Å
30	P	91.6	Very high	84.2	Confident	28 Å²	28	61.3 Å²	61.3	18%	0.182	31%	0.306	C	S	.	.			trans	-67.8	147.1	178.3	32.8	-36.8	0	0	0	110.7	K28 I32 L605 V639 L641	K28-P30 VanDerWaalsContact O-CD 3.31Å; K28-P30 WeakPolarHBondContact O-CD 3.2Å; P30-I32 HydrophobicContact CB-CG1 4.43Å; P30-I32 HydrophobicContact CG-CD1 4.38Å; P30-I32 HydrophobicContact CG-CG1 4.41Å; P30-L605 HydrophobicContact CB-CD2 4.3Å; P30-L605 HydrophobicContact CG-CB 4.39Å; P30-L605 HydrophobicContact CG-CD2 4.2Å; P30-V639 HydrophobicContact CB-CG1 4.1Å; P30-L641 HydrophobicContact CB-CD2 3.82Å
31	R	92.5	Very high	87	Confident	70 Å²	70	56.2 Å²	56.2	26%	0.264	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	109	170.4	176.8	177.6	-174.7	167.3	4.5	110	A78 L79 L640 W642	R31-A78 PolarHBondContact NH2-O 2.77Å; R31-L79 PolarHBondContact NH1-O 2.87Å; R31-L79 PolarHBondContact NH2-O 3.36Å; R31-L640 HydrophobicContact CB-CB 4.16Å; R31-L640 PolarHBondContact N-O 2.81Å; R31-L640 PolarHBondContact O-N 3.18Å; R31-W642 HydrophobicContact CB-CH2 4.49Å; R31-W642 HydrophobicContact CB-CZ2 3.53Å; R31-W642 HydrophobicContact CG-CZ2 4.32Å
32	I	93	Very high	89.6	Confident	37 Å²	37	51.3 Å²	51.3	19%	0.19	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.2	-177.6	-55.4	178	0	0	0	110.4	P30 K34 A606 A637 V639	P30-I32 HydrophobicContact CB-CG1 4.43Å; P30-I32 HydrophobicContact CG-CD1 4.38Å; P30-I32 HydrophobicContact CG-CG1 4.41Å; I32-K34 HydrophobicContact CG2-CG 4.3Å; I32-A606 HydrophobicContact CD1-CB 3.32Å; I32-A637 HydrophobicContact CG2-CB 4.23Å; I32-V639 HydrophobicContact CG1-CG1 4.21Å; I32-V639 HydrophobicContact CG1-CG2 4.26Å; I32-V639 HydrophobicContact CG2-CG2 4.41Å
33	I	93.1	Very high	91.7	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	109.1	176.1	-60.3	175.9	0	0	0	108.2	F41 L57 C77 C88 A637 A638 L640	I33-F41 HydrophobicContact CG2-CE1 4.42Å; I33-F41 HydrophobicContact CG2-CZ 4.15Å; I33-L57 HydrophobicContact CD1-CD2 3.95Å; I33-C77 HydrophobicContact CD1-CB 4.04Å; I33-C77 HydrophobicContact CG2-CB 4.49Å; I33-C88 WeakPolarHBondContact CG2-SG 3.43Å; I33-A637 CarbonylContact O-C 3.6Å; I33-A637 VanDerWaalsContact O-CA 3.26Å; I33-A637 WeakPolarHBondContact O-CA 3.44Å; I33-A638 HydrophobicContact CB-CB 4.49Å; I33-A638 WeakPolarHBondContact CB-O 3.41Å; I33-A638 PolarHBondContact N-O 3.01Å; I33-A638 PolarHBondContact O-N 2.81Å; I33-L640 HydrophobicContact CD1-CD1 4.24Å
34	K	92.3	Very high	92.9	Very high	159 Å²	159	50.9 Å²	50.9	69%	0.691	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.1	-179.8	-64.1	-176.9	179.8	178.6	0	111.3	I32	I32-K34 HydrophobicContact CG2-CG 4.3Å
35	G	91.6	Very high	93.3	Very high	21 Å²	21	51 Å²	51	22%	0.216	24%	0.244	C	C	.	.			trans	-141.6	176.5	173.4	0	0	0	0	0	112.4	K37 G636	G35-K37 PolarHBondContact O-N 2.81Å; G35-G636 PolarHBondContact N-O 3.09Å
36	P	92.8	Very high	93.5	Very high	54 Å²	54	52.4 Å²	52.4	35%	0.351	25%	0.25	S	S	.	.			trans	-68.4	120	-175.3	-19.2	32.3	0	0	0	112.3	Q38 T39	P36-Q38 VanDerWaalsContact C-N 3.32Å; P36-Q38 PolarHBondContact O-N 3.44Å; P36-T39 HydrophobicContact CB-CG2 3.82Å; P36-T39 HydrophobicContact CG-CG2 4.41Å; P36-T39 PolarHBondContact O-N 3.31Å; P36-T39 PolarHBondContact O-OG1 3.34Å
37	K	93.4	Very high	93.7	Very high	101 Å²	101	51.6 Å²	51.6	44%	0.439	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60.1	-37.9	-179.1	-75.2	-174	174.4	-164.6	0	113.2	G35 T39 Q40 G608	G35-K37 PolarHBondContact O-N 2.81Å; K37-T39 PolarHBondContact O-N 3.33Å; K37-Q40 PolarHBondContact O-N 2.68Å; K37-G608 PolarHBondContact NZ-O 3.49Å
38	Q	94.4	Very high	93.9	Very high	154 Å²	154	50.3 Å²	50.3	72%	0.72	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-62.7	-26.1	-178.5	-59.2	80.6	5.6	0	0	112.5	P36 Q40 Y63	P36-Q38 VanDerWaalsContact C-N 3.32Å; P36-Q38 PolarHBondContact O-N 3.44Å; Q38-Q40 VanDerWaalsContact C-N 3.26Å; Q38-Y63 WeakPolarHBondContact O-CB 3.46Å
39	T	94.7	Very high	94	Very high	12 Å²	12	47 Å²	47	7%	0.074	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-86.2	-2.2	-179.8	71.5	0	0	0	0	112.6	P36 K37 F41 A61 Y63 E64	P36-T39 HydrophobicContact CB-CG2 3.82Å; P36-T39 HydrophobicContact CG-CG2 4.41Å; P36-T39 PolarHBondContact O-N 3.31Å; P36-T39 PolarHBondContact O-OG1 3.34Å; K37-T39 PolarHBondContact O-N 3.33Å; T39-F41 PolarHBondContact O-N 3.4Å; T39-F41 PolarHBondContact OG1-N 3.38Å; T39-A61 CarbonylContact O-C 3.57Å; T39-A61 VanDerWaalsContact O-C 3.3Å; T39-A61 WeakPolarHBondContact O-CA 3.38Å; T39-Y63 PolarHBondContact O-N 2.88Å; T39-Y63 VanDerWaalsContact O-N 3.1Å; T39-E64 HydrophobicContact CG2-CB 4.43Å; T39-E64 WeakPolarHBondContact CG2-OE2 3.44Å
40	Q	96	Very high	94	Very high	50 Å²	50	42.3 Å²	42.3	23%	0.234	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	34.5	-169	-59.3	-165.5	-2.4	0	0	113.3	K37 Q38 G42 Y43 Y63 R614 L635	K37-Q40 PolarHBondContact O-N 2.68Å; Q38-Q40 VanDerWaalsContact C-N 3.26Å; Q40-G42 PolarHBondContact O-N 3.46Å; Q40-Y43 WeakPolarHBondContact O-CB 3.38Å; Q40-Y43 PolarHBondContact O-N 2.9Å; Q40-Y63 HydrophobicContact CB-CD2 3.96Å; Q40-Y63 HydrophobicContact CG-CD2 3.54Å; Q40-Y63 HydrophobicContact CG-CE2 3.98Å; Q40-Y63 HydrophobicContact CG-CG 4.07Å; Q40-Y63 VanDerWaalsContact OE1-CE2 3.27Å; Q40-R614 PolarHBondContact O-NH2 3.05Å; Q40-L635 HydrophobicContact CB-CD1 4.35Å; Q40-L635 HydrophobicContact CG-CD1 4.16Å
41	F	97.1	Very high	93.6	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	132	172.9	179.6	-85.8	0	0	0	111.4	I33 T39 V59 Y75 R614 G636 A638	I33-F41 HydrophobicContact CG2-CE1 4.42Å; I33-F41 HydrophobicContact CG2-CZ 4.15Å; T39-F41 PolarHBondContact O-N 3.4Å; T39-F41 PolarHBondContact OG1-N 3.38Å; F41-V59 HydrophobicContact CD1-CG1 3.97Å; F41-V59 HydrophobicContact CD2-CB 4.44Å; F41-V59 HydrophobicContact CD2-CG1 3.88Å; F41-V59 HydrophobicContact CE1-CB 4.44Å; F41-V59 HydrophobicContact CE1-CG1 3.76Å; F41-V59 HydrophobicContact CE1-CG2 4.45Å; F41-V59 HydrophobicContact CE2-CB 3.82Å; F41-V59 HydrophobicContact CE2-CG1 3.66Å; F41-V59 HydrophobicContact CE2-CG2 4.35Å; F41-V59 HydrophobicContact CG-CG1 4.03Å; F41-V59 HydrophobicContact CZ-CB 3.83Å; F41-V59 HydrophobicContact CZ-CG1 3.6Å; F41-V59 HydrophobicContact CZ-CG2 3.88Å; F41-Y75 HydrophobicContact CD2-CD1 4.47Å; F41-Y75 AromaticContact CD2-CD2 3.78Å; F41-Y75 HydrophobicContact CD2-CD2 3.78Å; F41-Y75 AromaticContact CD2-CE2 3.97Å; F41-Y75 HydrophobicContact CD2-CE2 3.97Å; F41-Y75 HydrophobicContact CD2-CG 4.03Å; F41-Y75 HydrophobicContact CE2-CD1 4.07Å; F41-Y75 AromaticContact CE2-CD2 3.94Å; F41-Y75 HydrophobicContact CE2-CD2 3.94Å; F41-Y75 HydrophobicContact CE2-CE2 4.46Å; F41-Y75 AromaticContact CE2-CG 3.7Å; F41-Y75 HydrophobicContact CE2-CG 3.7Å; F41-R614 PolarHBondContact O-NH2 2.8Å; F41-G636 WeakPolarHBondContact O-CA 3.5Å; F41-G636 PolarHBondContact O-N 2.69Å; F41-A638 HydrophobicContact CE1-CB 4.15Å
42	G	96.6	Very high	92.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	95	14.9	-175.1	0	0	0	0	0	114.1	Q40 V59 G60 R614 S615 G633	Q40-G42 PolarHBondContact O-N 3.46Å; G42-V59 VanDerWaalsContact CA-CG1 3.45Å; G42-G60 PolarHBondContact N-O 3.47Å; G42-R614 VanDerWaalsContact C-CZ 3.44Å; G42-R614 VanDerWaalsContact O-CZ 3.27Å; G42-R614 PolarHBondContact O-NE 2.91Å; G42-R614 PolarHBondContact O-NH2 3.02Å; G42-R614 VanDerWaalsContact O-NH2 3.13Å; G42-S615 PolarHBondContact O-OG 3.43Å; G42-G633 WeakPolarHBondContact O-CA 3.44Å
43	Y	97.8	Very high	92.4	Very high	76 Å²	76	45 Å²	45	30%	0.298	27%	0.267	S	S	.	.	S	Bend	trans	-72.3	-44.2	-173.9	-175.8	-82.6	0	0	0	111.5	Q40 G60 P62 M112 R614 S615	Q40-Y43 WeakPolarHBondContact O-CB 3.38Å; Q40-Y43 PolarHBondContact O-N 2.9Å; Y43-G60 PolarHBondContact N-O 3.26Å; Y43-G60 VanDerWaalsContact N-O 3.15Å; Y43-P62 HydrophobicContact CD1-CG 4.01Å; Y43-P62 HydrophobicContact CD2-CG 3.93Å; Y43-P62 HydrophobicContact CG-CG 3.64Å; Y43-M112 HydrophobicContact CD1-CG 4.43Å; Y43-M112 HydrophobicContact CE1-CB 4.3Å; Y43-M112 HydrophobicContact CE1-CG 3.64Å; Y43-M112 WeakPolarHBondContact CE1-O 3.44Å; Y43-R614 VanDerWaalsContact CA-NH2 3.32Å; Y43-S615 WeakPolarHBondContact O-CB 3.49Å; Y43-S615 PolarHBondContact O-OG 3.3Å
44	T	97.7	Very high	92.1	Very high	21 Å²	21	50.4 Å²	50.4	13%	0.129	29%	0.292	C	S	.	.	S	Bend	trans	-122.5	152	162.2	52	0	0	0	0	108.4	G60 G111 M112 L114	T44-G60 PolarHBondContact O-N 3.01Å; T44-G111 PolarHBondContact OG1-O 3.34Å; T44-M112 WeakPolarHBondContact CG2-O 3.45Å; T44-L114 HydrophobicContact CG2-CB 4.49Å; T44-L114 WeakPolarHBondContact OG1-CB 3.43Å
45	I	96.9	Very high	92	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.1	173.7	54	154.8	0	0	0	109.5	L58 V59 S615 A631 V632 A638	I45-L58 WeakPolarHBondContact CA-O 3.39Å; I45-V59 HydrophobicContact CG2-CG1 4.28Å; I45-V59 HydrophobicContact CG2-CG2 4.32Å; I45-S615 WeakPolarHBondContact CD1-O 3.46Å; I45-S615 WeakPolarHBondContact CG1-OG 3.3Å; I45-A631 HydrophobicContact CD1-CB 3.59Å; I45-A631 WeakPolarHBondContact CD1-O 3.47Å; I45-V632 VanDerWaalsContact CD1-C 3.5Å; I45-V632 VanDerWaalsContact CD1-CA 3.43Å; I45-A638 HydrophobicContact CG2-CB 4.21Å
46	Q	95.6	Very high	92	Very high	33 Å²	33	45.6 Å²	45.6	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	129.3	175.8	-74.2	-67.9	-19	0	0	108.7	L58 L114 H617	Q46-L58 HydrophobicContact CB-CB 4.29Å; Q46-L58 PolarHBondContact N-O 3.27Å; Q46-L58 PolarHBondContact O-N 3.39Å; Q46-L114 HydrophobicContact CB-CD2 3.89Å; Q46-L114 HydrophobicContact CB-CG 4.26Å; Q46-L114 HydrophobicContact CG-CB 4.22Å; Q46-L114 HydrophobicContact CG-CD2 3.75Å; Q46-L114 HydrophobicContact CG-CG 3.72Å; Q46-L114 PolarHBondContact NE2-O 3.41Å; Q46-L114 VanDerWaalsContact NE2-O 3.1Å; Q46-H617 PolarHBondContact OE1-CD2 3.17Å; Q46-H617 PolarHBondContact OE1-NE2 3.39Å
47	Q	94.8	Very high	92.1	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.7	166.9	-57.1	172	-36.9	0	0	108	L57 H617 M620 M622 D629 A631	Q47-L57 HydrophobicContact CG-CD1 4.38Å; Q47-H617 WeakPolarHBondContact CB-ND1 3.31Å; Q47-H617 WeakPolarHBondContact CG-ND1 3.44Å; Q47-H617 PolarHBondContact N-ND1 2.86Å; Q47-H617 PolarHBondContact OE1-ND1 3.48Å; Q47-M620 HydrophobicContact CB-CE 3.62Å; Q47-M620 HydrophobicContact CB-CG 3.89Å; Q47-M620 HydrophobicContact CB-SD 3.72Å; Q47-M620 HydrophobicContact CG-CG 4.48Å; Q47-M622 HydrophobicContact CB-CE 4.03Å; Q47-M622 HydrophobicContact CB-SD 3.91Å; Q47-M622 HydrophobicContact CG-CE 3.87Å; Q47-M622 HydrophobicContact CG-CG 4.34Å; Q47-M622 HydrophobicContact CG-SD 3.98Å; Q47-D629 PolarHBondContact NE2-O 2.84Å; Q47-A631 HydrophobicContact CG-CB 3.96Å
48	H	93.6	Very high	92.2	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.023	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	138.2	-169.9	-171.5	78.9	0	0	0	112	W56 L58 S116 S121 F123	H48-W56 PolarHBondContact N-O 3.18Å; H48-W56 PolarHBondContact O-N 3.42Å; H48-W56 VanDerWaalsContact O-O 3.12Å; H48-L58 HydrophobicContact CB-CD1 3.76Å; H48-L58 HydrophobicContact CB-CG 3.83Å; H48-S116 PolarHBondContact ND1-OG 2.99Å; H48-S121 PolarHBondContact CE1-O 3.27Å; H48-S121 PolarHBondContact NE2-O 2.94Å; H48-F123 AromaticContact CE1-CD1 3.78Å; H48-F123 AromaticContact NE2-CD1 4Å
49	V	91.2	Very high	92.4	Very high	50 Å²	50	30.9 Å²	30.9	30%	0.303	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.8	174.4	-178	0	0	0	0	108.9	E54 S121 M620	V49-E54 WeakPolarHBondContact CA-O 3.12Å; V49-S121 WeakPolarHBondContact O-CB 3.31Å; V49-S121 PolarHBondContact O-OG 2.77Å; V49-M620 HydrophobicContact CG2-CE 4.05Å; V49-M620 HydrophobicContact CG2-SD 3.81Å
50	A	87.8	Confident	92.5	Very high	6 Å²	6	30.3 Å²	30.3	5%	0.05	19%	0.189	C	C	.	.			trans	-83.6	174.7	179.6	0	0	0	0	0	112.2	G52 G53 E54 F151	A50-G52 PolarHBondContact O-N 3.29Å; A50-G53 PolarHBondContact O-N 3.04Å; A50-G53 VanDerWaalsContact O-N 3.1Å; A50-E54 PolarHBondContact N-O 3.33Å; A50-F151 HydrophobicContact CB-CE2 3.59Å; A50-F151 HydrophobicContact CB-CZ 3.79Å
51	A	82.4	Confident	92.6	Very high	55 Å²	55	28 Å²	28	46%	0.455	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	129.8	173.5	0	0	0	0	0	110.8	A149	A51-A149 HydrophobicContact CB-CB 3.97Å; A51-A149 PolarHBondContact N-O 3.15Å
52	G	77.1	Confident	92.6	Very high	87 Å²	87	28 Å²	28	90%	0.897	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.6	3	-175.7	0	0	0	0	0	114.9	A50	A50-G52 PolarHBondContact O-N 3.29Å
53	G	82.8	Confident	92.6	Very high	50 Å²	50	31.7 Å²	31.7	52%	0.515	19%	0.193	S	C	.	.	S	Bend	trans	86.3	2.6	173.8	0	0	0	0	0	114.8	A50	A50-G53 PolarHBondContact O-N 3.04Å; A50-G53 VanDerWaalsContact O-N 3.1Å
54	E	87.3	Confident	92.5	Very high	117 Å²	117	28.5 Å²	28.5	55%	0.547	18%	0.181	S	C	.	.			trans	-67.5	136.7	177	-67.8	-169.2	160.6	0	0	111.8	V49 A50 W56	V49-E54 WeakPolarHBondContact CA-O 3.12Å; A50-E54 PolarHBondContact N-O 3.33Å; E54-W56 VanDerWaalsContact O-CD1 3.3Å; E54-W56 PolarHBondContact OE2-NE1 3.23Å
55	K	90.4	Very high	92.2	Very high	44 Å²	44	33.4 Å²	33.4	19%	0.191	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.4	-179.9	-59.2	173	176.6	177.6	0	111.1	L79 D621 M622 D624	K55-L79 HydrophobicContact CB-CD1 4.24Å; K55-D621 WeakPolarHBondContact CD-O 3.41Å; K55-D621 WeakPolarHBondContact CE-O 3.43Å; K55-D621 PolarHBondContact NZ-O 3.38Å; K55-D621 IonicContact NZ-OD1 3.92Å; K55-D621 PolarHBondContact NZ-OD1 2.76Å; K55-D621 IonicContact NZ-OD2 3.95Å; K55-M622 HydrophobicContact CB-SD 4.39Å; K55-D624 WeakPolarHBondContact CE-OD1 3.02Å; K55-D624 IonicContact NZ-OD1 3.56Å; K55-D624 PolarHBondContact NZ-OD1 3.5Å
56	W	92.2	Very high	91.8	Very high	36 Å²	36	33.9 Å²	33.9	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.6	-176.1	-68.3	80.7	0	0	0	110.8	H48 E54 K76 C77 A78 F151	H48-W56 PolarHBondContact N-O 3.18Å; H48-W56 PolarHBondContact O-N 3.42Å; H48-W56 VanDerWaalsContact O-O 3.12Å; E54-W56 VanDerWaalsContact O-CD1 3.3Å; E54-W56 PolarHBondContact OE2-NE1 3.23Å; W56-K76 HydrophobicContact CE3-CB 4.04Å; W56-K76 HydrophobicContact CE3-CD 4.36Å; W56-K76 HydrophobicContact CE3-CG 4.34Å; W56-K76 HydrophobicContact CZ3-CB 4.45Å; W56-K76 HydrophobicContact CZ3-CD 4.18Å; W56-K76 HydrophobicContact CZ3-CG 4.25Å; W56-C77 VanDerWaalsContact CE3-C 3.45Å; W56-A78 HydrophobicContact CE3-CB 4.01Å; W56-A78 HydrophobicContact CH2-CB 3.59Å; W56-A78 HydrophobicContact CZ2-CB 4.29Å; W56-A78 HydrophobicContact CZ3-CB 3.43Å; W56-A78 VanDerWaalsContact CZ3-CB 3.43Å; W56-F151 HydrophobicContact CB-CZ 4.02Å; W56-F151 AromaticContact CD1-CZ 3.84Å; W56-F151 HydrophobicContact CD2-CE2 4.01Å; W56-F151 AromaticContact CD2-CZ 3.81Å; W56-F151 HydrophobicContact CD2-CZ 3.81Å; W56-F151 AromaticContact CE2-CE2 3.97Å; W56-F151 HydrophobicContact CE3-CZ 4.36Å; W56-F151 HydrophobicContact CG-CE2 4.15Å; W56-F151 AromaticContact CG-CZ 3.61Å; W56-F151 HydrophobicContact CG-CZ 3.61Å
57	L	94.3	Very high	91.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.5	167.2	-171.1	69.9	0	0	0	109.6	I33 Q47 V59 C77 M622 A631 A638 L640	I33-L57 HydrophobicContact CD1-CD2 3.95Å; Q47-L57 HydrophobicContact CG-CD1 4.38Å; L57-V59 HydrophobicContact CD2-CG2 4.02Å; L57-V59 HydrophobicContact CG-CG2 4Å; L57-C77 HydrophobicContact CB-CB 4.26Å; L57-C77 PolarHBondContact N-O 2.81Å; L57-C77 PolarHBondContact O-N 3Å; L57-M622 HydrophobicContact CB-CE 4.48Å; L57-M622 HydrophobicContact CD1-CE 4.45Å; L57-A631 HydrophobicContact CD1-CB 3.66Å; L57-A638 HydrophobicContact CD2-CB 3.75Å; L57-L640 HydrophobicContact CD2-CD1 4.43Å; L57-L640 HydrophobicContact CD2-CG 4.39Å
58	L	96.4	Very high	90.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133.3	171.1	-63.9	176.2	0	0	0	109.5	I45 Q46 H48 V74 Y75 K76 L114 F123 F151	I45-L58 WeakPolarHBondContact CA-O 3.39Å; Q46-L58 HydrophobicContact CB-CB 4.29Å; Q46-L58 PolarHBondContact N-O 3.27Å; Q46-L58 PolarHBondContact O-N 3.39Å; H48-L58 HydrophobicContact CB-CD1 3.76Å; H48-L58 HydrophobicContact CB-CG 3.83Å; L58-V74 HydrophobicContact CB-CG1 4.36Å; L58-V74 HydrophobicContact CD2-CG1 4.34Å; L58-Y75 CarbonylContact C-O 3.55Å; L58-Y75 WeakPolarHBondContact CA-O 3.27Å; L58-K76 HydrophobicContact CD2-CB 4.12Å; L58-L114 HydrophobicContact CB-CD2 3.78Å; L58-F123 HydrophobicContact CD1-CB 4.01Å; L58-F123 HydrophobicContact CD1-CD1 3.56Å; L58-F123 HydrophobicContact CD1-CD2 3.92Å; L58-F123 HydrophobicContact CD1-CE1 3.91Å; L58-F123 HydrophobicContact CD1-CE2 4.25Å; L58-F123 HydrophobicContact CD1-CG 3.55Å; L58-F123 HydrophobicContact CD1-CZ 4.23Å; L58-F123 HydrophobicContact CD2-CE1 4.14Å; L58-F123 HydrophobicContact CD2-CZ 4.16Å; L58-F151 HydrophobicContact CD2-CD1 4.44Å; L58-F151 HydrophobicContact CD2-CE1 3.85Å
59	V	97.7	Very high	90.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	119.5	-176.1	-173.6	0	0	0	0	110.9	F41 G42 I45 L57 V74 Y75 A638	F41-V59 HydrophobicContact CD1-CG1 3.97Å; F41-V59 HydrophobicContact CD2-CB 4.44Å; F41-V59 HydrophobicContact CD2-CG1 3.88Å; F41-V59 HydrophobicContact CE1-CB 4.44Å; F41-V59 HydrophobicContact CE1-CG1 3.76Å; F41-V59 HydrophobicContact CE1-CG2 4.45Å; F41-V59 HydrophobicContact CE2-CB 3.82Å; F41-V59 HydrophobicContact CE2-CG1 3.66Å; F41-V59 HydrophobicContact CE2-CG2 4.35Å; F41-V59 HydrophobicContact CG-CG1 4.03Å; F41-V59 HydrophobicContact CZ-CB 3.83Å; F41-V59 HydrophobicContact CZ-CG1 3.6Å; F41-V59 HydrophobicContact CZ-CG2 3.88Å; G42-V59 VanDerWaalsContact CA-CG1 3.45Å; I45-V59 HydrophobicContact CG2-CG1 4.28Å; I45-V59 HydrophobicContact CG2-CG2 4.32Å; L57-V59 HydrophobicContact CD2-CG2 4.02Å; L57-V59 HydrophobicContact CG-CG2 4Å; V59-V74 WeakPolarHBondContact O-CA 3.47Å; V59-Y75 PolarHBondContact N-O 2.84Å; V59-Y75 PolarHBondContact O-N 2.82Å; V59-A638 HydrophobicContact CG2-CB 3.96Å
60	G	97.7	Very high	90.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	137.9	175.5	0	0	0	0	0	112.9	G42 Y43 T44	G42-G60 PolarHBondContact N-O 3.47Å; Y43-G60 PolarHBondContact N-O 3.26Å; Y43-G60 VanDerWaalsContact N-O 3.15Å; T44-G60 PolarHBondContact O-N 3.01Å
61	A	97.4	Very high	90.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	79.2	177	0	0	0	0	0	110.1	T39 Y63 E64 G72 D73 Y75	T39-A61 CarbonylContact O-C 3.57Å; T39-A61 VanDerWaalsContact O-C 3.3Å; T39-A61 WeakPolarHBondContact O-CA 3.38Å; A61-Y63 PolarHBondContact O-N 3.26Å; A61-E64 HydrophobicContact CB-CB 4.14Å; A61-E64 WeakPolarHBondContact O-CB 3.43Å; A61-E64 PolarHBondContact O-N 3.37Å; A61-E64 VanDerWaalsContact O-N 3.07Å; A61-G72 WeakPolarHBondContact O-CA 3.21Å; A61-D73 PolarHBondContact N-O 2.89Å; A61-D73 PolarHBondContact O-N 2.99Å; A61-D73 VanDerWaalsContact O-N 3.16Å; A61-Y75 HydrophobicContact CB-CD2 3.95Å; A61-Y75 HydrophobicContact CB-CE2 3.68Å
62	P	97.1	Very high	91.6	Very high	3 Å²	3	44 Å²	44	2%	0.019	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.1	-170.8	23	-30.6	0	0	0	115.2	Y43 R109 L110 M112	Y43-P62 HydrophobicContact CD1-CG 4.01Å; Y43-P62 HydrophobicContact CD2-CG 3.93Å; Y43-P62 HydrophobicContact CG-CG 3.64Å; P62-R109 HydrophobicContact CB-CB 4.03Å; P62-R109 WeakPolarHBondContact O-CA 3.38Å; P62-R109 VanDerWaalsContact O-CD 3.26Å; P62-R109 WeakPolarHBondContact O-CD 3.14Å; P62-L110 WeakPolarHBondContact CA-O 3.29Å; P62-M112 HydrophobicContact CB-CB 4.26Å
63	Y	96.1	Very high	92.4	Very high	77 Å²	77	40 Å²	40	30%	0.302	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	10.2	177.3	-71.3	-108.9	0	0	0	112.4	Q38 T39 Q40 A61 Q70	Q38-Y63 WeakPolarHBondContact O-CB 3.46Å; T39-Y63 PolarHBondContact O-N 2.88Å; T39-Y63 VanDerWaalsContact O-N 3.1Å; Q40-Y63 HydrophobicContact CB-CD2 3.96Å; Q40-Y63 HydrophobicContact CG-CD2 3.54Å; Q40-Y63 HydrophobicContact CG-CE2 3.98Å; Q40-Y63 HydrophobicContact CG-CG 4.07Å; Q40-Y63 VanDerWaalsContact OE1-CE2 3.27Å; A61-Y63 PolarHBondContact O-N 3.26Å; Y63-Q70 VanDerWaalsContact CB-NE2 3.32Å; Y63-Q70 VanDerWaalsContact CD1-NE2 3.35Å; Y63-Q70 WeakPolarHBondContact O-CG 3.44Å; Y63-Q70 PolarHBondContact O-NE2 3.12Å
64	E	95.6	Very high	93.1	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.042	20%	0.2	C	C	.	.			trans	-64.4	149.1	175.4	-172.7	57.5	-106.2	0	0	112.7	T39 A61 Q70 T71 G72 D73 Y75 K90	T39-E64 HydrophobicContact CG2-CB 4.43Å; T39-E64 WeakPolarHBondContact CG2-OE2 3.44Å; A61-E64 HydrophobicContact CB-CB 4.14Å; A61-E64 WeakPolarHBondContact O-CB 3.43Å; A61-E64 PolarHBondContact O-N 3.37Å; A61-E64 VanDerWaalsContact O-N 3.07Å; E64-Q70 CarbonylContact O-C 3.4Å; E64-T71 PolarHBondContact O-N 2.76Å; E64-G72 PolarHBondContact O-N 3.13Å; E64-D73 HydrophobicContact CB-CB 4.13Å; E64-D73 HydrophobicContact CG-CB 3.91Å; E64-Y75 WeakPolarHBondContact OE2-CE2 3.04Å; E64-Y75 VanDerWaalsContact OE2-CZ 3.31Å; E64-Y75 PolarHBondContact OE2-OH 3.36Å; E64-K90 VanDerWaalsContact CD-CE 3.4Å; E64-K90 HydrophobicContact CG-CD 4.3Å; E64-K90 IonicContact OE1-NZ 3.48Å; E64-K90 PolarHBondContact OE1-NZ 2.96Å; E64-K90 VanDerWaalsContact OE2-CE 3.23Å; E64-K90 WeakPolarHBondContact OE2-CE 3.5Å; E64-K90 IonicContact OE2-NZ 3.54Å; E64-K90 PolarHBondContact OE2-NZ 3.36Å
65	M	92.5	Very high	93.5	Very high	123 Å²	123	32.8 Å²	32.8	61%	0.606	18%	0.177	S	C	*	.			trans	-102.8	136.7	178.9	-63.9	-173.7	-64	0	0	111.5	Y69	M65-Y69 WeakPolarHBondContact CA-O 3.43Å
66	T	88.8	Confident	93.7	Very high	16 Å²	16	33 Å²	33	10%	0.098	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-119.6	106.3	169.5	-57.3	0	0	0	0	108.3	S68 Y69 T71 K95	T66-S68 PolarHBondContact O-N 3.47Å; T66-Y69 PolarHBondContact N-O 3.24Å; T66-Y69 PolarHBondContact O-N 2.82Å; T66-T71 WeakPolarHBondContact CB-OG1 3.46Å; T66-T71 PolarHBondContact OG1-OG1 2.9Å; T66-K95 HydrophobicContact CG2-CB 4.41Å; T66-K95 HydrophobicContact CG2-CD 4.34Å; T66-K95 HydrophobicContact CG2-CG 3.33Å
67	G	85.8	Confident	93.7	Very high	75 Å²	75	31.3 Å²	31.3	77%	0.773	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	-127.6	-169.5	0	0	0	0	0	110.7
68	S	84.1	Confident	93.3	Very high	100 Å²	100	32 Å²	32	70%	0.699	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-5	177.9	53	0	0	0	0	114.6	T66	T66-S68 PolarHBondContact O-N 3.47Å
69	Y	88.3	Confident	92.4	Very high	136 Å²	136	32.7 Å²	32.7	53%	0.533	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-110.4	143.1	-171.3	-56.4	-68.4	0	0	0	112.2	M65 T66 T71 D106	M65-Y69 WeakPolarHBondContact CA-O 3.43Å; T66-Y69 PolarHBondContact N-O 3.24Å; T66-Y69 PolarHBondContact O-N 2.82Å; Y69-T71 VanDerWaalsContact C-N 3.32Å; Y69-T71 PolarHBondContact O-N 3.12Å; Y69-D106 HydrophobicContact CD1-CB 4.04Å
70	Q	92.1	Very high	90.9	Very high	49 Å²	49	35.9 Å²	35.9	23%	0.229	20%	0.203	C	C	.	.			trans	-85.1	72.2	177.4	-168.3	175.3	47.4	0	0	111.2	Y63 E64 D106 K107	Y63-Q70 VanDerWaalsContact CB-NE2 3.32Å; Y63-Q70 VanDerWaalsContact CD1-NE2 3.35Å; Y63-Q70 WeakPolarHBondContact O-CG 3.44Å; Y63-Q70 PolarHBondContact O-NE2 3.12Å; E64-Q70 CarbonylContact O-C 3.4Å; Q70-D106 PolarHBondContact N-OD1 3.15Å; Q70-K107 WeakPolarHBondContact O-CA 3.27Å; Q70-K107 PolarHBondContact O-N 2.82Å
71	T	93.1	Very high	88.8	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.018	25%	0.245	C	C	.	.			trans	-76.3	-27.2	-174.5	64.4	0	0	0	0	113.5	E64 T66 Y69 K105 M108 R109 L110	E64-T71 PolarHBondContact O-N 2.76Å; T66-T71 WeakPolarHBondContact CB-OG1 3.46Å; T66-T71 PolarHBondContact OG1-OG1 2.9Å; Y69-T71 VanDerWaalsContact C-N 3.32Å; Y69-T71 PolarHBondContact O-N 3.12Å; T71-K105 HydrophobicContact CG2-CB 4.03Å; T71-M108 WeakPolarHBondContact O-CG 3.36Å; T71-R109 PolarHBondContact O-N 3.1Å; T71-L110 WeakPolarHBondContact O-CB 3.32Å; T71-L110 PolarHBondContact O-N 3.24Å
72	G	95.9	Very high	86.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	76.7	161	-160	0	0	0	0	0	112.2	A61 E64 L110	A61-G72 WeakPolarHBondContact O-CA 3.21Å; E64-G72 PolarHBondContact O-N 3.13Å; G72-L110 CarbonylContact C-O 3.6Å; G72-L110 WeakPolarHBondContact CA-O 3.28Å
73	D	95.7	Very high	84.1	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	176.3	177.2	-155.9	3.8	0	0	0	111.8	A61 E64 N92 L93 L110	A61-D73 PolarHBondContact N-O 2.89Å; A61-D73 PolarHBondContact O-N 2.99Å; A61-D73 VanDerWaalsContact O-N 3.16Å; E64-D73 HydrophobicContact CB-CB 4.13Å; E64-D73 HydrophobicContact CG-CB 3.91Å; D73-N92 PolarHBondContact OD1-N 3.45Å; D73-N92 WeakPolarHBondContact OD2-CA 3.11Å; D73-N92 PolarHBondContact OD2-N 2.85Å; D73-L93 PolarHBondContact OD1-N 3.38Å; D73-L110 PolarHBondContact N-O 3.27Å; D73-L110 VanDerWaalsContact N-O 3.1Å
74	V	96.8	Very high	81.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.4	171.8	178.7	0	0	0	0	109.8	L58 V59 L91 L114 F123 A125	L58-V74 HydrophobicContact CB-CG1 4.36Å; L58-V74 HydrophobicContact CD2-CG1 4.34Å; V59-V74 WeakPolarHBondContact O-CA 3.47Å; V74-L91 HydrophobicContact CB-CD1 4.13Å; V74-L91 HydrophobicContact CG1-CD1 4.09Å; V74-L91 WeakPolarHBondContact O-CB 3.45Å; V74-L91 WeakPolarHBondContact O-CG 3.33Å; V74-L91 PolarHBondContact O-N 3.22Å; V74-L114 HydrophobicContact CG1-CD1 4.24Å; V74-L114 HydrophobicContact CG2-CD1 4.11Å; V74-F123 HydrophobicContact CG1-CE2 4.45Å; V74-A125 HydrophobicContact CG2-CB 3.61Å
75	Y	95.8	Very high	79.2	Confident	16 Å²	16	66.7 Å²	66.7	6%	0.063	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142.3	172.8	-73.7	-106.3	0	0	0	110.4	F41 L58 V59 A61 E64 C88 S89 K90	F41-Y75 HydrophobicContact CD2-CD1 4.47Å; F41-Y75 AromaticContact CD2-CD2 3.78Å; F41-Y75 HydrophobicContact CD2-CD2 3.78Å; F41-Y75 AromaticContact CD2-CE2 3.97Å; F41-Y75 HydrophobicContact CD2-CE2 3.97Å; F41-Y75 HydrophobicContact CD2-CG 4.03Å; F41-Y75 HydrophobicContact CE2-CD1 4.07Å; F41-Y75 AromaticContact CE2-CD2 3.94Å; F41-Y75 HydrophobicContact CE2-CD2 3.94Å; F41-Y75 HydrophobicContact CE2-CE2 4.46Å; F41-Y75 AromaticContact CE2-CG 3.7Å; F41-Y75 HydrophobicContact CE2-CG 3.7Å; L58-Y75 CarbonylContact C-O 3.55Å; L58-Y75 WeakPolarHBondContact CA-O 3.27Å; V59-Y75 PolarHBondContact N-O 2.84Å; V59-Y75 PolarHBondContact O-N 2.82Å; A61-Y75 HydrophobicContact CB-CD2 3.95Å; A61-Y75 HydrophobicContact CB-CE2 3.68Å; E64-Y75 WeakPolarHBondContact OE2-CE2 3.04Å; E64-Y75 VanDerWaalsContact OE2-CZ 3.31Å; E64-Y75 PolarHBondContact OE2-OH 3.36Å; Y75-C88 HydrophobicContact CD1-CB 4.07Å; Y75-S89 CarbonylContact C-O 3.57Å; Y75-S89 WeakPolarHBondContact CA-O 3.4Å; Y75-K90 HydrophobicContact CD1-CG 3.91Å; Y75-K90 HydrophobicContact CE1-CD 4.36Å; Y75-K90 HydrophobicContact CE1-CG 3.44Å; Y75-K90 VanDerWaalsContact CE1-CG 3.44Å; Y75-K90 HydrophobicContact CE2-CG 4.07Å; Y75-K90 HydrophobicContact CG-CG 4.45Å; Y75-K90 WeakPolarHBondContact OH-CE 3.29Å
76	K	93.9	Very high	77.5	Confident	49 Å²	49	66 Å²	66	21%	0.213	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.8	164.1	62.1	172.8	180	176.7	0	109.5	W56 L58 C88 S89 L91 F151	W56-K76 HydrophobicContact CE3-CB 4.04Å; W56-K76 HydrophobicContact CE3-CD 4.36Å; W56-K76 HydrophobicContact CE3-CG 4.34Å; W56-K76 HydrophobicContact CZ3-CB 4.45Å; W56-K76 HydrophobicContact CZ3-CD 4.18Å; W56-K76 HydrophobicContact CZ3-CG 4.25Å; L58-K76 HydrophobicContact CD2-CB 4.12Å; K76-C88 CarbonylContact O-C 3.54Å; K76-C88 VanDerWaalsContact O-CA 3.29Å; K76-C88 WeakPolarHBondContact O-CA 3.29Å; K76-S89 WeakPolarHBondContact CE-OG 3.34Å; K76-S89 VanDerWaalsContact CG-OG 3.3Å; K76-S89 WeakPolarHBondContact CG-OG 3.3Å; K76-S89 PolarHBondContact N-O 3.47Å; K76-S89 PolarHBondContact O-N 3.27Å; K76-L91 HydrophobicContact CD-CD2 3.85Å; K76-L91 HydrophobicContact CG-CD2 4.04Å; K76-F151 HydrophobicContact CB-CD1 4.26Å; K76-F151 HydrophobicContact CB-CE1 4.02Å; K76-F151 HydrophobicContact CB-CZ 4.41Å; K76-F151 HydrophobicContact CD-CB 4.17Å; K76-F151 HydrophobicContact CD-CD1 3.82Å; K76-F151 HydrophobicContact CD-CD2 3.76Å; K76-F151 HydrophobicContact CD-CE1 4.11Å; K76-F151 HydrophobicContact CD-CE2 4.03Å; K76-F151 HydrophobicContact CD-CG 3.64Å; K76-F151 HydrophobicContact CD-CZ 4.2Å
77	C	92.4	Very high	76.6	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.007	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.7	-177.5	-59	0	0	0	0	110	I33 W56 L57 C88	I33-C77 HydrophobicContact CD1-CB 4.04Å; I33-C77 HydrophobicContact CG2-CB 4.49Å; W56-C77 VanDerWaalsContact CE3-C 3.45Å; L57-C77 HydrophobicContact CB-CB 4.26Å; L57-C77 PolarHBondContact N-O 2.81Å; L57-C77 PolarHBondContact O-N 3Å; C77-C88 HydrophobicContact CB-CB 4.17Å; C77-C88 WeakPolarHBondContact CB-SG 3.43Å; C77-C88 WeakPolarHBondContact SG-CB 3.11Å; C77-C88 CovalentContact SG-SG 2.04Å; C77-C88 PolarHBondContact SG-SG 3.26Å
78	A	86.3	Confident	76.7	Confident	13 Å²	13	65.8 Å²	65.8	11%	0.107	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	148.2	-179.8	0	0	0	0	0	111.3	R31 W56 S87	R31-A78 PolarHBondContact NH2-O 2.77Å; W56-A78 HydrophobicContact CE3-CB 4.01Å; W56-A78 HydrophobicContact CH2-CB 3.59Å; W56-A78 HydrophobicContact CZ2-CB 4.29Å; W56-A78 HydrophobicContact CZ3-CB 3.43Å; W56-A78 VanDerWaalsContact CZ3-CB 3.43Å; A78-S87 PolarHBondContact N-O 3.39Å
79	L	78.1	Confident	77.1	Confident	16 Å²	16	63.3 Å²	63.3	8%	0.084	33%	0.327	C	S	.	.			trans	-108.1	-12	179.9	-60.4	169.7	0	0	0	114.1	R31 K55 M622 L640	R31-L79 PolarHBondContact NH1-O 2.87Å; R31-L79 PolarHBondContact NH2-O 3.36Å; K55-L79 HydrophobicContact CB-CD1 4.24Å; L79-M622 HydrophobicContact CD1-CB 4.3Å; L79-M622 HydrophobicContact CD1-CE 3.2Å; L79-M622 HydrophobicContact CD1-SD 4.05Å; L79-L640 HydrophobicContact CD2-CD1 3.32Å
80	S	65.7	Low	77.3	Confident	66 Å²	66	60.6 Å²	60.6	46%	0.462	32%	0.317	S	S	.	.			trans	-59	136.5	-177.3	-173.4	0	0	0	0	113.3	R82 T83	S80-R82 PolarHBondContact O-N 3.35Å; S80-R82 PolarHBondContact OG-N 3.35Å; S80-T83 PolarHBondContact O-OG1 3.12Å
81	K	54.3	Low	77.4	Confident	202 Å²	202	59.5 Å²	59.5	88%	0.878	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.1	174.1	-71	-179.7	178.8	173.4	0	113.4	T83	K81-T83 VanDerWaalsContact C-N 3.32Å; K81-T83 PolarHBondContact O-N 3.23Å
82	R	48.3	Very low	77.3	Confident	240 Å²	240	62.7 Å²	62.7	91%	0.906	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.4	-175.7	-74.1	-173.3	174.8	-178.2	-0.4	114.3	S80	S80-R82 PolarHBondContact O-N 3.35Å; S80-R82 PolarHBondContact OG-N 3.35Å
83	T	46	Very low	77.1	Confident	72 Å²	72	63 Å²	63	44%	0.442	33%	0.332	S	S	.	.	S	Bend	trans	-101.5	108.2	175.7	38.1	0	0	0	0	109.6	S80 K81 G85	S80-T83 PolarHBondContact O-OG1 3.12Å; K81-T83 VanDerWaalsContact C-N 3.32Å; K81-T83 PolarHBondContact O-N 3.23Å; T83-G85 PolarHBondContact O-N 3.27Å
84	N	40.8	Very low	76.6	Confident	181 Å²	181	63.1 Å²	63.1	97%	0.968	33%	0.333	S	S	*	.	S	Bend	trans	-66.3	33.6	176.1	-90.6	-11.8	0	0	0	114.1
85	G	47.7	Very low	76.1	Confident	42 Å²	42	69.9 Å²	69.9	43%	0.433	36%	0.363	S	S	.	.	S	Bend	trans	-153	153	-179.6	0	0	0	0	0	113.5	T83 S87	T83-G85 PolarHBondContact O-N 3.27Å; G85-S87 PolarHBondContact O-N 2.9Å
86	N	57.4	Low	75.5	Confident	109 Å²	109	71.2 Å²	71.2	58%	0.583	37%	0.37	S	S	*	.			trans	-63.6	67.9	167.1	-76.1	-15.1	0	0	0	110.4	C88	N86-C88 VanDerWaalsContact C-N 3.28Å; N86-C88 PolarHBondContact O-N 2.99Å
87	S	69.3	Low	74.9	Confident	51 Å²	51	72.6 Å²	72.6	36%	0.357	39%	0.386	S	S	.	.			trans	-81.4	73.2	-172.7	70.9	0	0	0	0	111.5	A78 G85	A78-S87 PolarHBondContact N-O 3.39Å; G85-S87 PolarHBondContact O-N 2.9Å
88	C	89.5	Confident	74.4	Confident	34 Å²	34	74.5 Å²	74.5	23%	0.23	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.4	159.6	-64.8	0	0	0	0	109.5	I33 Y75 K76 C77 N86	I33-C88 WeakPolarHBondContact CG2-SG 3.43Å; Y75-C88 HydrophobicContact CD1-CB 4.07Å; K76-C88 CarbonylContact O-C 3.54Å; K76-C88 VanDerWaalsContact O-CA 3.29Å; K76-C88 WeakPolarHBondContact O-CA 3.29Å; C77-C88 HydrophobicContact CB-CB 4.17Å; C77-C88 WeakPolarHBondContact CB-SG 3.43Å; C77-C88 WeakPolarHBondContact SG-CB 3.11Å; C77-C88 CovalentContact SG-SG 2.04Å; C77-C88 PolarHBondContact SG-SG 3.26Å; N86-C88 VanDerWaalsContact C-N 3.28Å; N86-C88 PolarHBondContact O-N 2.99Å
89	S	91.9	Very high	73.7	Confident	49 Å²	49	79.8 Å²	79.8	34%	0.343	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.3	176.8	57	0	0	0	0	110.8	Y75 K76	Y75-S89 CarbonylContact C-O 3.57Å; Y75-S89 WeakPolarHBondContact CA-O 3.4Å; K76-S89 WeakPolarHBondContact CE-OG 3.34Å; K76-S89 VanDerWaalsContact CG-OG 3.3Å; K76-S89 WeakPolarHBondContact CG-OG 3.3Å; K76-S89 PolarHBondContact N-O 3.47Å; K76-S89 PolarHBondContact O-N 3.27Å
90	K	92.3	Very high	73.3	Confident	78 Å²	78	87.1 Å²	87.1	34%	0.339	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	142.1	176.1	-64.1	-177.9	-172	-177.9	0	110.5	E64 Y75 N92	E64-K90 VanDerWaalsContact CD-CE 3.4Å; E64-K90 HydrophobicContact CG-CD 4.3Å; E64-K90 IonicContact OE1-NZ 3.48Å; E64-K90 PolarHBondContact OE1-NZ 2.96Å; E64-K90 VanDerWaalsContact OE2-CE 3.23Å; E64-K90 WeakPolarHBondContact OE2-CE 3.5Å; E64-K90 IonicContact OE2-NZ 3.54Å; E64-K90 PolarHBondContact OE2-NZ 3.36Å; Y75-K90 HydrophobicContact CD1-CG 3.91Å; Y75-K90 HydrophobicContact CE1-CD 4.36Å; Y75-K90 HydrophobicContact CE1-CG 3.44Å; Y75-K90 VanDerWaalsContact CE1-CG 3.44Å; Y75-K90 HydrophobicContact CE2-CG 4.07Å; Y75-K90 HydrophobicContact CG-CG 4.45Å; Y75-K90 WeakPolarHBondContact OH-CE 3.29Å; K90-N92 PolarHBondContact O-ND2 2.69Å
91	L	93.3	Very high	73.7	Confident	26 Å²	26	85.8 Å²	85.8	14%	0.136	46%	0.455	C	S	.	.			trans	-85.5	-12.4	175.9	-67.4	176.2	0	0	0	113.6	V74 K76 L93 F123 F151	V74-L91 HydrophobicContact CB-CD1 4.13Å; V74-L91 HydrophobicContact CG1-CD1 4.09Å; V74-L91 WeakPolarHBondContact O-CB 3.45Å; V74-L91 WeakPolarHBondContact O-CG 3.33Å; V74-L91 PolarHBondContact O-N 3.22Å; K76-L91 HydrophobicContact CD-CD2 3.85Å; K76-L91 HydrophobicContact CG-CD2 4.04Å; L91-L93 VanDerWaalsContact C-N 3.25Å; L91-L93 HydrophobicContact CB-CD1 4.32Å; L91-L93 HydrophobicContact CB-CD2 4.27Å; L91-L93 HydrophobicContact CB-CG 3.83Å; L91-L93 HydrophobicContact CD1-CD1 4.4Å; L91-L93 PolarHBondContact O-N 2.9Å; L91-F123 HydrophobicContact CD1-CE2 4.13Å; L91-F123 HydrophobicContact CD1-CZ 3.5Å; L91-F123 VanDerWaalsContact CD1-CZ 3.5Å; L91-F151 HydrophobicContact CD2-CB 3.85Å; L91-F151 HydrophobicContact CD2-CD1 4.25Å; L91-F151 HydrophobicContact CD2-CG 4.37Å
92	N	92.5	Very high	75	Confident	71 Å²	71	79.2 Å²	79.2	38%	0.38	44%	0.435	S	S	.	.			trans	57.5	35	-179.9	-61.2	-85.6	0	0	0	113.4	D73 K90 G94 K95	D73-N92 PolarHBondContact OD1-N 3.45Å; D73-N92 WeakPolarHBondContact OD2-CA 3.11Å; D73-N92 PolarHBondContact OD2-N 2.85Å; K90-N92 PolarHBondContact O-ND2 2.69Å; N92-G94 PolarHBondContact O-N 3.35Å; N92-K95 HydrophobicContact CB-CD 4.19Å; N92-K95 HydrophobicContact CB-CG 4.42Å; N92-K95 PolarHBondContact O-N 3.22Å
93	L	91.6	Very high	76.7	Confident	7 Å²	7	69.8 Å²	69.8	4%	0.037	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-67.1	-24.2	-177.2	-62.2	177.7	0	0	0	112.1	D73 L91 K95 I96 L110 A125 V147	D73-L93 PolarHBondContact OD1-N 3.38Å; L91-L93 VanDerWaalsContact C-N 3.25Å; L91-L93 HydrophobicContact CB-CD1 4.32Å; L91-L93 HydrophobicContact CB-CD2 4.27Å; L91-L93 HydrophobicContact CB-CG 3.83Å; L91-L93 HydrophobicContact CD1-CD1 4.4Å; L91-L93 PolarHBondContact O-N 2.9Å; L93-K95 PolarHBondContact O-N 2.92Å; L93-K95 VanDerWaalsContact O-N 3.14Å; L93-I96 HydrophobicContact CB-CD1 4.31Å; L93-I96 HydrophobicContact CD2-CD1 3.93Å; L93-I96 WeakPolarHBondContact O-CD1 3.38Å; L93-I96 PolarHBondContact O-N 3.4Å; L93-L110 HydrophobicContact CB-CD2 3.46Å; L93-L110 VanDerWaalsContact CB-CD2 3.46Å; L93-A125 HydrophobicContact CD1-CB 4.29Å; L93-V147 HydrophobicContact CD1-CG2 3.92Å; L93-V147 HydrophobicContact CD2-CG2 3.81Å
94	G	85.1	Confident	78.6	Confident	3 Å²	3	71.6 Å²	71.6	3%	0.031	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-61.1	-19.2	174.7	0	0	0	0	0	115.2	N92 I96	N92-G94 PolarHBondContact O-N 3.35Å; G94-I96 VanDerWaalsContact C-N 3.31Å; G94-I96 PolarHBondContact O-N 3.41Å
95	K	86.1	Confident	80.8	Confident	142 Å²	142	64.2 Å²	64.2	62%	0.617	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-75.1	-18.3	178.8	-65.7	-172.9	-179.9	177.1	0	113.4	T66 N92 L93 S97	T66-K95 HydrophobicContact CG2-CB 4.41Å; T66-K95 HydrophobicContact CG2-CD 4.34Å; T66-K95 HydrophobicContact CG2-CG 3.33Å; N92-K95 HydrophobicContact CB-CD 4.19Å; N92-K95 HydrophobicContact CB-CG 4.42Å; N92-K95 PolarHBondContact O-N 3.22Å; L93-K95 PolarHBondContact O-N 2.92Å; L93-K95 VanDerWaalsContact O-N 3.14Å; K95-S97 PolarHBondContact O-N 3.13Å
96	I	83.5	Confident	82.8	Confident	43 Å²	43	64.5 Å²	64.5	22%	0.221	35%	0.351	C	S	.	.			trans	-73	118.3	-174.2	-61.5	156.2	0	0	0	109.4	L93 G94 K105 F153	L93-I96 HydrophobicContact CB-CD1 4.31Å; L93-I96 HydrophobicContact CD2-CD1 3.93Å; L93-I96 WeakPolarHBondContact O-CD1 3.38Å; L93-I96 PolarHBondContact O-N 3.4Å; G94-I96 VanDerWaalsContact C-N 3.31Å; G94-I96 PolarHBondContact O-N 3.41Å; I96-K105 PolarHBondContact O-NZ 3.05Å; I96-F153 HydrophobicContact CD1-CB 3.89Å; I96-F153 HydrophobicContact CD1-CD1 4.28Å; I96-F153 HydrophobicContact CD1-CD2 3.25Å; I96-F153 HydrophobicContact CD1-CE2 3.73Å; I96-F153 HydrophobicContact CD1-CG 3.53Å; I96-F153 HydrophobicContact CD1-CZ 4.41Å; I96-F153 HydrophobicContact CG1-CD2 4.29Å; I96-F153 HydrophobicContact CG1-CG 4.28Å; I96-F153 HydrophobicContact CG2-CE1 4.11Å; I96-F153 HydrophobicContact CG2-CE2 4Å; I96-F153 HydrophobicContact CG2-CZ 3.75Å
97	S	81.3	Confident	84.5	Confident	78 Å²	78	64.8 Å²	64.8	55%	0.545	35%	0.347	S	S	.	.			trans	-109.5	149.3	178	-58.7	0	0	0	0	112.2	K95 E103 K105	K95-S97 PolarHBondContact O-N 3.13Å; S97-E103 WeakPolarHBondContact CA-OE2 3.43Å; S97-E103 WeakPolarHBondContact CB-OE2 3.19Å; S97-E103 PolarHBondContact OG-OE2 3.3Å; S97-K105 PolarHBondContact OG-NZ 3.11Å
98	L	81.4	Confident	85.6	Confident	42 Å²	42	62.5 Å²	62.5	22%	0.22	33%	0.331	C	S	.	.			trans	-82.2	144.5	168	-64.3	169.5	0	0	0	111.1	V101 E103 W130 T156 I158	L98-V101 HydrophobicContact CB-CB 4.41Å; L98-V101 HydrophobicContact CB-CG2 4.38Å; L98-E103 VanDerWaalsContact CB-OE1 3.24Å; L98-E103 WeakPolarHBondContact CB-OE1 3.41Å; L98-E103 VanDerWaalsContact CG-OE1 3.29Å; L98-E103 WeakPolarHBondContact CG-OE1 3.26Å; L98-E103 VanDerWaalsContact N-CD 3.28Å; L98-E103 PolarHBondContact N-OE1 3.48Å; L98-E103 PolarHBondContact N-OE2 2.73Å; L98-W130 HydrophobicContact CD1-CH2 3.73Å; L98-W130 HydrophobicContact CD1-CZ2 3.64Å; L98-T156 HydrophobicContact CD2-CG2 4.06Å; L98-I158 HydrophobicContact CD1-CD1 3.85Å; L98-I158 HydrophobicContact CD2-CD1 4.35Å
99	T	72.3	Confident	85.9	Confident	123 Å²	123	62.5 Å²	62.5	76%	0.755	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	141.3	173.2	53.6	0	0	0	0	110.6	V101	T99-V101 PolarHBondContact O-N 3.34Å
100	N	68.1	Low	86.1	Confident	171 Å²	171	60.2 Å²	60.2	91%	0.914	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	29.8	176.8	-54.1	-25.8	0	0	0	115.1
101	V	75.5	Confident	86.2	Confident	37 Å²	37	56.5 Å²	56.5	22%	0.224	29%	0.293	C	S	.	.	S	Bend	trans	-135	133.3	173.5	-178.1	0	0	0	0	108.3	L98 T99 E103 W130 Y132 F161	L98-V101 HydrophobicContact CB-CB 4.41Å; L98-V101 HydrophobicContact CB-CG2 4.38Å; T99-V101 PolarHBondContact O-N 3.34Å; V101-E103 HydrophobicContact CB-CG 4.3Å; V101-E103 HydrophobicContact CG1-CG 4.18Å; V101-E103 PolarHBondContact O-N 2.64Å; V101-W130 HydrophobicContact CG1-CH2 4.48Å; V101-Y132 VanDerWaalsContact CG1-CB 3.49Å; V101-Y132 HydrophobicContact CG1-CD2 4.34Å; V101-Y132 HydrophobicContact CG1-CG 4.06Å; V101-F161 HydrophobicContact CG1-CE2 4.21Å; V101-F161 HydrophobicContact CG2-CE2 3.95Å; V101-F161 HydrophobicContact CG2-CZ 3.78Å
102	S	81.6	Confident	86.4	Confident	65 Å²	65	57.1 Å²	57.1	46%	0.455	30%	0.296	S	S	.	.			trans	-79.5	100.5	169.4	-171.4	0	0	0	0	108.5	Y132 E133	S102-Y132 VanDerWaalsContact O-CA 3.3Å; S102-Y132 WeakPolarHBondContact O-CA 3.4Å; S102-Y132 WeakPolarHBondContact O-CB 3.23Å; S102-E133 PolarHBondContact O-N 2.76Å; S102-E133 PolarHBondContact OG-OE2 2.76Å
103	E	84.3	Confident	86.6	Confident	41 Å²	41	54.5 Å²	54.5	19%	0.192	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.1	-172.6	-54.3	-174.1	120.4	0	0	112.2	S97 L98 V101 K105 W130	S97-E103 WeakPolarHBondContact CA-OE2 3.43Å; S97-E103 WeakPolarHBondContact CB-OE2 3.19Å; S97-E103 PolarHBondContact OG-OE2 3.3Å; L98-E103 VanDerWaalsContact CB-OE1 3.24Å; L98-E103 WeakPolarHBondContact CB-OE1 3.41Å; L98-E103 VanDerWaalsContact CG-OE1 3.29Å; L98-E103 WeakPolarHBondContact CG-OE1 3.26Å; L98-E103 VanDerWaalsContact N-CD 3.28Å; L98-E103 PolarHBondContact N-OE1 3.48Å; L98-E103 PolarHBondContact N-OE2 2.73Å; V101-E103 HydrophobicContact CB-CG 4.3Å; V101-E103 HydrophobicContact CG1-CG 4.18Å; V101-E103 PolarHBondContact O-N 2.64Å; E103-K105 HydrophobicContact CB-CG 4.26Å; E103-K105 WeakPolarHBondContact OE2-CE 3.44Å; E103-K105 IonicContact OE2-NZ 2.82Å; E103-K105 PolarHBondContact OE2-NZ 3.13Å; E103-W130 HydrophobicContact CB-CZ2 4.48Å; E103-W130 HydrophobicContact CG-CZ2 3.99Å; E103-W130 WeakPolarHBondContact OE1-CZ2 3.4Å
104	R	86	Confident	86.8	Confident	111 Å²	111	54.6 Å²	54.6	42%	0.419	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	97.8	167.1	-173.5	174.8	-174.8	173.1	4	109.6	S131 Y138	R104-S131 WeakPolarHBondContact CB-OG 3.28Å; R104-S131 PolarHBondContact N-O 3.16Å; R104-S131 PolarHBondContact O-N 2.96Å; R104-S131 PolarHBondContact O-OG 2.99Å; R104-S131 VanDerWaalsContact O-OG 3.13Å; R104-Y138 VanDerWaalsContact NH1-CE1 3.31Å
105	K	86.8	Confident	87.3	Confident	26 Å²	26	55.4 Å²	55.4	11%	0.113	29%	0.287	C	S	.	.			trans	-90.6	-11.5	-176.2	-59.7	-169.8	-171.4	177.5	0	114.7	T71 I96 S97 E103 K107 M108	T71-K105 HydrophobicContact CG2-CB 4.03Å; I96-K105 PolarHBondContact O-NZ 3.05Å; S97-K105 PolarHBondContact OG-NZ 3.11Å; E103-K105 HydrophobicContact CB-CG 4.26Å; E103-K105 WeakPolarHBondContact OE2-CE 3.44Å; E103-K105 IonicContact OE2-NZ 2.82Å; E103-K105 PolarHBondContact OE2-NZ 3.13Å; K105-K107 PolarHBondContact O-N 2.81Å; K105-M108 HydrophobicContact CB-SD 3.86Å; K105-M108 HydrophobicContact CD-SD 4.45Å; K105-M108 HydrophobicContact CG-SD 4.18Å; K105-M108 WeakPolarHBondContact O-CB 3.49Å; K105-M108 WeakPolarHBondContact O-CG 3.17Å; K105-M108 PolarHBondContact O-N 3.31Å
106	D	89.4	Confident	87.6	Confident	48 Å²	48	49.5 Å²	49.5	26%	0.257	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	132.6	178	-169.6	42.7	0	0	0	110.2	Y69 Q70 M108	Y69-D106 HydrophobicContact CD1-CB 4.04Å; Q70-D106 PolarHBondContact N-OD1 3.15Å; D106-M108 PolarHBondContact O-N 3.12Å
107	K	92.2	Very high	88	Confident	115 Å²	115	48.9 Å²	48.9	50%	0.5	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	25.6	-178.3	-54.7	171	-172	176.3	0	114.8	Q70 K105 R109 L129	Q70-K107 WeakPolarHBondContact O-CA 3.27Å; Q70-K107 PolarHBondContact O-N 2.82Å; K105-K107 PolarHBondContact O-N 2.81Å; K107-R109 WeakPolarHBondContact O-CG 3.45Å; K107-R109 PolarHBondContact O-N 3.03Å; K107-L129 WeakPolarHBondContact O-CB 3.47Å
108	M	92.4	Very high	88.2	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.015	27%	0.271	C	S	.	.			trans	-68.3	-14.6	178.8	73.2	-173.2	-155.5	0	0	114.9	T71 K105 D106 L110 G127 L129 W130 L143	T71-M108 WeakPolarHBondContact O-CG 3.36Å; K105-M108 HydrophobicContact CB-SD 3.86Å; K105-M108 HydrophobicContact CD-SD 4.45Å; K105-M108 HydrophobicContact CG-SD 4.18Å; K105-M108 WeakPolarHBondContact O-CB 3.49Å; K105-M108 WeakPolarHBondContact O-CG 3.17Å; K105-M108 PolarHBondContact O-N 3.31Å; D106-M108 PolarHBondContact O-N 3.12Å; M108-L110 HydrophobicContact CE-CB 3.63Å; M108-L110 HydrophobicContact CE-CD2 3.77Å; M108-L110 HydrophobicContact CE-CG 4.2Å; M108-G127 CarbonylContact O-C 3.49Å; M108-G127 WeakPolarHBondContact O-CA 3.25Å; M108-L129 PolarHBondContact O-N 3.38Å; M108-W130 HydrophobicContact CB-CB 3.92Å; M108-L143 HydrophobicContact CE-CD2 3.98Å; M108-L143 HydrophobicContact SD-CD2 3.8Å
109	R	95.6	Very high	88.5	Confident	34 Å²	34	57.1 Å²	57.1	13%	0.128	30%	0.297	C	S	.	.			trans	61.3	40.1	175.4	-52.1	-55	-178.9	-161.9	-2.1	115.2	P62 T71 K107 G111 M112 L129	P62-R109 HydrophobicContact CB-CB 4.03Å; P62-R109 WeakPolarHBondContact O-CA 3.38Å; P62-R109 VanDerWaalsContact O-CD 3.26Å; P62-R109 WeakPolarHBondContact O-CD 3.14Å; T71-R109 PolarHBondContact O-N 3.1Å; K107-R109 WeakPolarHBondContact O-CG 3.45Å; K107-R109 PolarHBondContact O-N 3.03Å; R109-G111 PolarHBondContact O-N 3.32Å; R109-M112 HydrophobicContact CB-CB 4.37Å; R109-M112 VanDerWaalsContact O-CB 3.24Å; R109-M112 WeakPolarHBondContact O-CB 3.25Å; R109-M112 PolarHBondContact O-N 3.27Å; R109-M112 VanDerWaalsContact O-N 3.13Å; R109-L129 HydrophobicContact CG-CD1 3.86Å; R109-L129 HydrophobicContact CG-CG 4.39Å
110	L	96.4	Very high	89.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-59.2	133.5	176.3	-174	67.4	0	0	0	111.6	P62 T71 G72 D73 L93 M108 A125 C126	P62-L110 WeakPolarHBondContact CA-O 3.29Å; T71-L110 WeakPolarHBondContact O-CB 3.32Å; T71-L110 PolarHBondContact O-N 3.24Å; G72-L110 CarbonylContact C-O 3.6Å; G72-L110 WeakPolarHBondContact CA-O 3.28Å; D73-L110 PolarHBondContact N-O 3.27Å; D73-L110 VanDerWaalsContact N-O 3.1Å; L93-L110 HydrophobicContact CB-CD2 3.46Å; L93-L110 VanDerWaalsContact CB-CD2 3.46Å; M108-L110 HydrophobicContact CE-CB 3.63Å; M108-L110 HydrophobicContact CE-CD2 3.77Å; M108-L110 HydrophobicContact CE-CG 4.2Å; L110-A125 HydrophobicContact CD1-CB 4.34Å; L110-A125 WeakPolarHBondContact CD1-O 3.28Å; L110-C126 WeakPolarHBondContact CA-O 3.34Å
111	G	95.6	Very high	90.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	2.9	-174.8	0	0	0	0	0	113.8	T44 R109 T113 C126	T44-G111 PolarHBondContact OG1-O 3.34Å; R109-G111 PolarHBondContact O-N 3.32Å; G111-T113 PolarHBondContact O-N 2.96Å; G111-C126 PolarHBondContact N-O 2.92Å
112	M	96.1	Very high	91.3	Very high	40 Å²	40	46.4 Å²	46.4	20%	0.197	24%	0.237	C	C	.	.	S	Bend	trans	-64.9	-29.4	167.9	-176.4	173.2	173.8	0	0	112	Y43 T44 P62 R109 P128 F376	Y43-M112 HydrophobicContact CD1-CG 4.43Å; Y43-M112 HydrophobicContact CE1-CB 4.3Å; Y43-M112 HydrophobicContact CE1-CG 3.64Å; Y43-M112 WeakPolarHBondContact CE1-O 3.44Å; T44-M112 WeakPolarHBondContact CG2-O 3.45Å; P62-M112 HydrophobicContact CB-CB 4.26Å; R109-M112 HydrophobicContact CB-CB 4.37Å; R109-M112 VanDerWaalsContact O-CB 3.24Å; R109-M112 WeakPolarHBondContact O-CB 3.25Å; R109-M112 PolarHBondContact O-N 3.27Å; R109-M112 VanDerWaalsContact O-N 3.13Å; M112-P128 HydrophobicContact SD-CG 3.72Å; M112-F376 HydrophobicContact CE-CD2 4.34Å; M112-F376 HydrophobicContact CE-CE2 3.67Å; M112-F376 HydrophobicContact CE-CZ 3.8Å
113	T	97.1	Very high	92	Very high	16 Å²	16	43.4 Å²	43.4	10%	0.098	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.8	177.9	-47.8	0	0	0	0	108.6	G111 A125 C126 G375 F376 A378	G111-T113 PolarHBondContact O-N 2.96Å; T113-A125 WeakPolarHBondContact O-CA 3.28Å; T113-C126 PolarHBondContact O-N 3.19Å; T113-G375 WeakPolarHBondContact CB-O 3.34Å; T113-G375 PolarHBondContact OG1-O 3.4Å; T113-G375 VanDerWaalsContact OG1-O 3.08Å; T113-F376 PolarHBondContact OG1-O 2.9Å; T113-A378 HydrophobicContact CG2-CB 3.95Å
114	L	96.1	Very high	92.6	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	125.9	-173.3	-174.5	68.6	0	0	0	110	T44 Q46 L58 V74 F123 V124 A125	T44-L114 HydrophobicContact CG2-CB 4.49Å; T44-L114 WeakPolarHBondContact OG1-CB 3.43Å; Q46-L114 HydrophobicContact CB-CD2 3.89Å; Q46-L114 HydrophobicContact CB-CG 4.26Å; Q46-L114 HydrophobicContact CG-CB 4.22Å; Q46-L114 HydrophobicContact CG-CD2 3.75Å; Q46-L114 HydrophobicContact CG-CG 3.72Å; Q46-L114 PolarHBondContact NE2-O 3.41Å; Q46-L114 VanDerWaalsContact NE2-O 3.1Å; L58-L114 HydrophobicContact CB-CD2 3.78Å; V74-L114 HydrophobicContact CG1-CD1 4.24Å; V74-L114 HydrophobicContact CG2-CD1 4.11Å; L114-F123 HydrophobicContact CD1-CD2 3.78Å; L114-F123 HydrophobicContact CD1-CE2 4.27Å; L114-V124 WeakPolarHBondContact CA-O 3.35Å; L114-A125 HydrophobicContact CD1-CB 3.98Å
115	V	95	Very high	93.1	Very high	20 Å²	20	36.4 Å²	36.4	12%	0.121	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	121.3	-177.6	-175.3	0	0	0	0	110	F123 V124 A378 N380	V115-F123 CarbonylContact O-C 3.6Å; V115-F123 WeakPolarHBondContact O-CA 3.25Å; V115-F123 WeakPolarHBondContact O-CB 3.47Å; V115-V124 PolarHBondContact N-O 3.16Å; V115-V124 PolarHBondContact O-N 2.87Å; V115-A378 HydrophobicContact CG2-CB 3.84Å; V115-A378 VanDerWaalsContact CG2-O 3.3Å; V115-A378 WeakPolarHBondContact CG2-O 3.21Å; V115-N380 WeakPolarHBondContact CG1-ND2 3.35Å
116	S	92.9	Very high	93.6	Very high	19 Å²	19	35.1 Å²	35.1	13%	0.133	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.4	172.4	-75.1	0	0	0	0	111.1	H48 N380	H48-S116 PolarHBondContact ND1-OG 2.99Å; S116-N380 PolarHBondContact O-ND2 2.96Å
117	N	91.8	Very high	93.9	Very high	29 Å²	29	32.9 Å²	32.9	16%	0.155	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	105	170	-175.8	11.5	0	0	0	109.7	K119 D120 S121 S122 N380	N117-K119 PolarHBondContact O-N 2.98Å; N117-K119 PolarHBondContact OD1-N 2.85Å; N117-D120 WeakPolarHBondContact CB-OD1 3.47Å; N117-D120 VanDerWaalsContact CG-OD1 3.26Å; N117-D120 VanDerWaalsContact ND2-CG 3.35Å; N117-D120 PolarHBondContact ND2-OD1 3.14Å; N117-S121 WeakPolarHBondContact O-CA 3.4Å; N117-S121 PolarHBondContact O-N 2.7Å; N117-S121 VanDerWaalsContact O-N 3.08Å; N117-S122 PolarHBondContact N-O 3.32Å; N117-S122 PolarHBondContact O-N 3.4Å; N117-N380 WeakPolarHBondContact CA-ND2 3.4Å; N117-N380 WeakPolarHBondContact CB-ND2 3.48Å
118	P	86.4	Confident	94.1	Very high	115 Å²	115	27.4 Å²	27.4	75%	0.747	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-21.2	-178.7	27.1	-33.8	0	0	0	113	D120	P118-D120 PolarHBondContact O-N 3.06Å
119	K	87.4	Confident	94.1	Very high	179 Å²	179	30.2 Å²	30.2	78%	0.778	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-35.3	-176.8	-65.8	-173.6	177.6	-175.6	0	113.8	N117	N117-K119 PolarHBondContact O-N 2.98Å; N117-K119 PolarHBondContact OD1-N 2.85Å
120	D	89.5	Confident	94	Very high	72 Å²	72	28.6 Å²	28.6	39%	0.385	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	11.8	-178.7	69	-8.3	0	0	0	112.6	N117 P118 S122 K146	N117-D120 WeakPolarHBondContact CB-OD1 3.47Å; N117-D120 VanDerWaalsContact CG-OD1 3.26Å; N117-D120 VanDerWaalsContact ND2-CG 3.35Å; N117-D120 PolarHBondContact ND2-OD1 3.14Å; P118-D120 PolarHBondContact O-N 3.06Å; D120-S122 PolarHBondContact O-N 3.37Å; D120-S122 WeakPolarHBondContact OD1-CB 3.49Å; D120-S122 PolarHBondContact OD1-N 2.92Å; D120-S122 VanDerWaalsContact OD1-N 3.12Å; D120-S122 PolarHBondContact OD1-OG 3.22Å; D120-S122 PolarHBondContact OD2-OG 2.88Å; D120-S122 VanDerWaalsContact OD2-OG 3.1Å; D120-K146 IonicContact OD2-NZ 3.29Å; D120-K146 PolarHBondContact OD2-NZ 3.4Å
121	S	91.6	Very high	93.7	Very high	30 Å²	30	29 Å²	29	21%	0.21	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	29.6	-174.5	-72.9	0	0	0	0	113.2	H48 V49 N117 A149	H48-S121 PolarHBondContact CE1-O 3.27Å; H48-S121 PolarHBondContact NE2-O 2.94Å; V49-S121 WeakPolarHBondContact O-CB 3.31Å; V49-S121 PolarHBondContact O-OG 2.77Å; N117-S121 WeakPolarHBondContact O-CA 3.4Å; N117-S121 PolarHBondContact O-N 2.7Å; N117-S121 VanDerWaalsContact O-N 3.08Å; S121-A149 VanDerWaalsContact CB-CB 3.5Å; S121-A149 WeakPolarHBondContact O-CA 3.23Å; S121-A149 WeakPolarHBondContact O-CB 3.32Å; S121-A149 PolarHBondContact O-N 3.2Å
122	S	94.2	Very high	93.3	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.028	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	168	174.7	74	0	0	0	0	110.8	N117 D120 K146 V147	N117-S122 PolarHBondContact N-O 3.32Å; N117-S122 PolarHBondContact O-N 3.4Å; D120-S122 PolarHBondContact O-N 3.37Å; D120-S122 WeakPolarHBondContact OD1-CB 3.49Å; D120-S122 PolarHBondContact OD1-N 2.92Å; D120-S122 VanDerWaalsContact OD1-N 3.12Å; D120-S122 PolarHBondContact OD1-OG 3.22Å; D120-S122 PolarHBondContact OD2-OG 2.88Å; D120-S122 VanDerWaalsContact OD2-OG 3.1Å; S122-K146 WeakPolarHBondContact OG-CE 3.28Å; S122-K146 PolarHBondContact OG-NZ 3.35Å; S122-V147 CarbonylContact C-O 3.54Å; S122-V147 VanDerWaalsContact CA-O 3.28Å; S122-V147 WeakPolarHBondContact CA-O 3.48Å; S122-V147 WeakPolarHBondContact CB-O 3.49Å
123	F	95.9	Very high	92.5	Very high	1 Å²	1	31 Å²	31	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.4	168.8	66.4	-88.3	0	0	0	110.9	H48 L58 V74 L91 L114 V115 V147 F151	H48-F123 AromaticContact CE1-CD1 3.78Å; H48-F123 AromaticContact NE2-CD1 4Å; L58-F123 HydrophobicContact CD1-CB 4.01Å; L58-F123 HydrophobicContact CD1-CD1 3.56Å; L58-F123 HydrophobicContact CD1-CD2 3.92Å; L58-F123 HydrophobicContact CD1-CE1 3.91Å; L58-F123 HydrophobicContact CD1-CE2 4.25Å; L58-F123 HydrophobicContact CD1-CG 3.55Å; L58-F123 HydrophobicContact CD1-CZ 4.23Å; L58-F123 HydrophobicContact CD2-CE1 4.14Å; L58-F123 HydrophobicContact CD2-CZ 4.16Å; V74-F123 HydrophobicContact CG1-CE2 4.45Å; L91-F123 HydrophobicContact CD1-CE2 4.13Å; L91-F123 HydrophobicContact CD1-CZ 3.5Å; L91-F123 VanDerWaalsContact CD1-CZ 3.5Å; L114-F123 HydrophobicContact CD1-CD2 3.78Å; L114-F123 HydrophobicContact CD1-CE2 4.27Å; V115-F123 CarbonylContact O-C 3.6Å; V115-F123 WeakPolarHBondContact O-CA 3.25Å; V115-F123 WeakPolarHBondContact O-CB 3.47Å; F123-V147 HydrophobicContact CD1-CB 4.06Å; F123-V147 HydrophobicContact CD1-CG1 4.33Å; F123-V147 HydrophobicContact CD2-CB 4.24Å; F123-V147 HydrophobicContact CD2-CG2 4.47Å; F123-V147 HydrophobicContact CE1-CB 3.54Å; F123-V147 HydrophobicContact CE1-CG1 3.45Å; F123-V147 VanDerWaalsContact CE1-CG1 3.45Å; F123-V147 HydrophobicContact CE1-CG2 4.37Å; F123-V147 HydrophobicContact CE2-CB 3.74Å; F123-V147 HydrophobicContact CE2-CG1 4.3Å; F123-V147 HydrophobicContact CE2-CG2 3.74Å; F123-V147 HydrophobicContact CG-CB 4.38Å; F123-V147 HydrophobicContact CZ-CB 3.36Å; F123-V147 HydrophobicContact CZ-CG1 3.43Å; F123-V147 VanDerWaalsContact CZ-CG1 3.43Å; F123-V147 HydrophobicContact CZ-CG2 3.69Å; F123-V147 PolarHBondContact N-O 3.29Å; F123-V147 PolarHBondContact O-N 3.1Å; F123-F151 AromaticContact CE1-CD1 3.94Å; F123-F151 HydrophobicContact CE1-CD1 3.94Å; F123-F151 HydrophobicContact CE1-CE1 4.28Å; F123-F151 HydrophobicContact CZ-CD1 4.47Å
124	V	96.6	Very high	91.3	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.03	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.1	175.6	179.7	0	0	0	0	109.5	L114 V115 C144 S145 K146 I157 I385	L114-V124 WeakPolarHBondContact CA-O 3.35Å; V115-V124 PolarHBondContact N-O 3.16Å; V115-V124 PolarHBondContact O-N 2.87Å; V124-C144 HydrophobicContact CG1-CB 3.66Å; V124-S145 WeakPolarHBondContact CA-O 3.38Å; V124-K146 HydrophobicContact CG2-CB 4.12Å; V124-K146 HydrophobicContact CG2-CG 4.09Å; V124-I157 HydrophobicContact CG1-CD1 4.27Å; V124-I157 HydrophobicContact CG2-CD1 4.2Å; V124-I385 HydrophobicContact CB-CD1 3.64Å; V124-I385 HydrophobicContact CG1-CD1 3.77Å; V124-I385 HydrophobicContact CG2-CD1 3.55Å
125	A	97.1	Very high	89.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.4	174.2	0	0	0	0	0	109.8	V74 L93 L110 T113 L114 C144 S145	V74-A125 HydrophobicContact CG2-CB 3.61Å; L93-A125 HydrophobicContact CD1-CB 4.29Å; L110-A125 HydrophobicContact CD1-CB 4.34Å; L110-A125 WeakPolarHBondContact CD1-O 3.28Å; T113-A125 WeakPolarHBondContact O-CA 3.28Å; L114-A125 HydrophobicContact CD1-CB 3.98Å; A125-C144 CarbonylContact O-C 3.57Å; A125-C144 WeakPolarHBondContact O-CA 3.11Å; A125-S145 PolarHBondContact N-O 3.49Å; A125-S145 PolarHBondContact O-N 3.47Å
126	C	97.1	Very high	88.1	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.2	-177.2	-54.6	0	0	0	0	113.1	L110 G111 T113 L143 C144 G375	L110-C126 WeakPolarHBondContact CA-O 3.34Å; G111-C126 PolarHBondContact N-O 2.92Å; T113-C126 PolarHBondContact O-N 3.19Å; C126-L143 CarbonylContact C-O 3.59Å; C126-L143 VanDerWaalsContact CA-O 3.32Å; C126-L143 WeakPolarHBondContact CA-O 3.15Å; C126-C144 HydrophobicContact CB-CB 4Å; C126-C144 WeakPolarHBondContact CB-SG 3.25Å; C126-C144 WeakPolarHBondContact SG-CB 3.16Å; C126-C144 CovalentContact SG-SG 2.04Å; C126-C144 PolarHBondContact SG-SG 3.47Å; C126-G375 WeakPolarHBondContact CB-O 3.45Å
127	G	96.1	Very high	86.8	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	91	170.6	0	0	0	0	0	108.6	M108 L129 W130 G142 L143	M108-G127 CarbonylContact O-C 3.49Å; M108-G127 WeakPolarHBondContact O-CA 3.25Å; G127-L129 PolarHBondContact O-N 3.19Å; G127-W130 PolarHBondContact O-N 3.45Å; G127-G142 WeakPolarHBondContact O-CA 3.06Å; G127-L143 PolarHBondContact N-O 2.9Å; G127-L143 PolarHBondContact O-N 3.36Å
128	P	94.6	Very high	86	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.1	-171.1	25.5	-33.7	0	0	0	113.8	M112 G142 Q373 F376	M112-P128 HydrophobicContact SD-CG 3.72Å; P128-G142 WeakPolarHBondContact O-CA 2.83Å; P128-Q373 HydrophobicContact CB-CB 4.35Å; P128-Q373 VanDerWaalsContact O-CA 3.29Å; P128-Q373 WeakPolarHBondContact O-CA 3.47Å; P128-Q373 WeakPolarHBondContact O-CB 3.31Å; P128-F376 HydrophobicContact CB-CB 4.26Å; P128-F376 HydrophobicContact CB-CD2 4.3Å; P128-F376 HydrophobicContact CG-CD2 4.38Å
129	L	93.6	Very high	86	Confident	62 Å²	62	32.4 Å²	32.4	33%	0.325	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	14.6	179.6	-61.1	-175.7	0	0	0	112.9	K107 M108 R109 G127 S131 Q373	K107-L129 WeakPolarHBondContact O-CB 3.47Å; M108-L129 PolarHBondContact O-N 3.38Å; R109-L129 HydrophobicContact CG-CD1 3.86Å; R109-L129 HydrophobicContact CG-CG 4.39Å; G127-L129 PolarHBondContact O-N 3.19Å; L129-S131 PolarHBondContact O-N 2.75Å; L129-Q373 HydrophobicContact CD2-CG 4.12Å
130	W	93.8	Very high	86.1	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.			trans	-61.9	132.4	169.2	178.3	83.3	0	0	0	110.2	L98 V101 E103 M108 G127 Y132 T141 G142 L143 I158 F161	L98-W130 HydrophobicContact CD1-CH2 3.73Å; L98-W130 HydrophobicContact CD1-CZ2 3.64Å; V101-W130 HydrophobicContact CG1-CH2 4.48Å; E103-W130 HydrophobicContact CB-CZ2 4.48Å; E103-W130 HydrophobicContact CG-CZ2 3.99Å; E103-W130 WeakPolarHBondContact OE1-CZ2 3.4Å; M108-W130 HydrophobicContact CB-CB 3.92Å; G127-W130 PolarHBondContact O-N 3.45Å; W130-Y132 HydrophobicContact CE3-CD1 4.44Å; W130-Y132 AromaticContact CH2-CD1 3.65Å; W130-Y132 HydrophobicContact CH2-CD1 3.65Å; W130-Y132 HydrophobicContact CH2-CG 4.18Å; W130-Y132 AromaticContact CZ3-CD1 3.55Å; W130-Y132 HydrophobicContact CZ3-CD1 3.55Å; W130-Y132 HydrophobicContact CZ3-CE1 4.17Å; W130-Y132 HydrophobicContact CZ3-CG 4.49Å; W130-T141 WeakPolarHBondContact CZ3-OG1 3.3Å; W130-T141 PolarHBondContact O-N 3.01Å; W130-G142 PolarHBondContact O-N 3.06Å; W130-L143 HydrophobicContact CB-CB 3.82Å; W130-L143 HydrophobicContact CB-CD2 3.7Å; W130-L143 HydrophobicContact CB-CG 4.24Å; W130-L143 HydrophobicContact CD2-CB 3.92Å; W130-L143 HydrophobicContact CD2-CD2 4.22Å; W130-L143 HydrophobicContact CE3-CB 4.15Å; W130-L143 HydrophobicContact CG-CB 3.77Å; W130-L143 HydrophobicContact CG-CD2 3.44Å; W130-L143 VanDerWaalsContact CG-CD2 3.44Å; W130-L143 HydrophobicContact CG-CG 4.2Å; W130-I158 HydrophobicContact CZ3-CG2 4.41Å; W130-F161 HydrophobicContact CH2-CD2 4.25Å; W130-F161 HydrophobicContact CZ3-CD2 4.43Å
131	S	90.3	Very high	86.1	Confident	9 Å²	9	21.6 Å²	21.6	6%	0.063	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.6	-177.2	53.5	0	0	0	0	111.8	R104 L129 Y139	R104-S131 WeakPolarHBondContact CB-OG 3.28Å; R104-S131 PolarHBondContact N-O 3.16Å; R104-S131 PolarHBondContact O-N 2.96Å; R104-S131 PolarHBondContact O-OG 2.99Å; R104-S131 VanDerWaalsContact O-OG 3.13Å; L129-S131 PolarHBondContact O-N 2.75Å; S131-Y139 WeakPolarHBondContact CA-O 3.49Å; S131-Y139 WeakPolarHBondContact CB-O 3.4Å
132	Y	86.4	Confident	86.2	Confident	3 Å²	3	20.1 Å²	20.1	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.5	170	63.3	-83.4	0	0	0	110	V101 S102 W130 Y139 T141 F161 Q162	V101-Y132 VanDerWaalsContact CG1-CB 3.49Å; V101-Y132 HydrophobicContact CG1-CD2 4.34Å; V101-Y132 HydrophobicContact CG1-CG 4.06Å; S102-Y132 VanDerWaalsContact O-CA 3.3Å; S102-Y132 WeakPolarHBondContact O-CA 3.4Å; S102-Y132 WeakPolarHBondContact O-CB 3.23Å; W130-Y132 HydrophobicContact CE3-CD1 4.44Å; W130-Y132 AromaticContact CH2-CD1 3.65Å; W130-Y132 HydrophobicContact CH2-CD1 3.65Å; W130-Y132 HydrophobicContact CH2-CG 4.18Å; W130-Y132 AromaticContact CZ3-CD1 3.55Å; W130-Y132 HydrophobicContact CZ3-CD1 3.55Å; W130-Y132 HydrophobicContact CZ3-CE1 4.17Å; W130-Y132 HydrophobicContact CZ3-CG 4.49Å; Y132-Y139 AromaticContact CE2-CD2 3.88Å; Y132-Y139 HydrophobicContact CE2-CD2 3.88Å; Y132-Y139 AromaticContact CZ-CD2 3.84Å; Y132-Y139 PolarHBondContact N-O 3.31Å; Y132-Y139 VanDerWaalsContact N-O 3.15Å; Y132-Y139 PolarHBondContact O-N 2.91Å; Y132-T141 HydrophobicContact CE1-CG2 3.57Å; Y132-T141 WeakPolarHBondContact CE1-OG1 3.34Å; Y132-F161 HydrophobicContact CD1-CD2 4.07Å; Y132-F161 HydrophobicContact CD1-CE2 4.26Å; Y132-F161 HydrophobicContact CD2-CE2 4.23Å; Y132-F161 AromaticContact CE1-CD2 3.67Å; Y132-F161 HydrophobicContact CE1-CD2 3.67Å; Y132-F161 HydrophobicContact CE1-CE2 4.08Å; Y132-F161 HydrophobicContact CE2-CD2 4.4Å; Y132-F161 HydrophobicContact CE2-CE2 4.05Å; Y132-F161 HydrophobicContact CG-CE2 4.32Å; Y132-F161 AromaticContact CZ-CD2 3.86Å; Y132-F161 AromaticContact CZ-CE2 3.97Å; Y132-Q162 PolarHBondContact OH-N 3.34Å; Y132-Q162 PolarHBondContact OH-O 3.5Å
133	E	79.7	Confident	86.2	Confident	78 Å²	78	20.6 Å²	20.6	36%	0.364	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138	-179.5	-66.6	169.4	175	0	0	110.7	S102 Y138	S102-E133 PolarHBondContact O-N 2.76Å; S102-E133 PolarHBondContact OG-OE2 2.76Å; E133-Y138 HydrophobicContact CG-CD1 3.76Å; E133-Y138 HydrophobicContact CG-CE1 3.62Å
134	C	72.1	Confident	86.1	Confident	10 Å²	10	20.6 Å²	20.6	7%	0.068	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	95.8	-179.4	-157.1	0	0	0	0	109.6	S136 S137 Y139 C164	C134-S136 PolarHBondContact O-N 2.93Å; C134-S137 PolarHBondContact N-O 3.22Å; C134-S137 PolarHBondContact O-N 3.27Å; C134-Y139 HydrophobicContact CB-CD2 3.79Å; C134-Y139 HydrophobicContact CB-CE2 3.61Å; C134-Y139 HydrophobicContact CB-CG 4.34Å; C134-Y139 WeakPolarHBondContact SG-CE2 3.33Å; C134-C164 WeakPolarHBondContact CA-SG 3.37Å; C134-C164 HydrophobicContact CB-CB 4.35Å; C134-C164 WeakPolarHBondContact CB-SG 3.29Å; C134-C164 WeakPolarHBondContact SG-CA 3.47Å; C134-C164 WeakPolarHBondContact SG-CB 3.26Å; C134-C164 CovalentContact SG-SG 2.02Å; C134-C164 PolarHBondContact SG-SG 3.36Å
135	G	65.3	Low	86.1	Confident	25 Å²	25	20.4 Å²	20.4	26%	0.258	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-125.4	-168.6	0	0	0	0	0	110.6
136	S	56.9	Low	86	Confident	34 Å²	34	22.4 Å²	22.4	24%	0.238	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.6	172.8	62.2	0	0	0	0	114.3	C134 F355 E358	C134-S136 PolarHBondContact O-N 2.93Å; S136-F355 WeakPolarHBondContact OG-CD1 3.2Å; S136-E358 PolarHBondContact N-OE2 3.48Å; S136-E358 VanDerWaalsContact N-OE2 3.09Å; S136-E358 PolarHBondContact OG-OE2 2.81Å
137	S	66.6	Low	85.9	Confident	35 Å²	35	22.4 Å²	22.4	25%	0.245	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	153.2	-172.1	-70.2	0	0	0	0	113.4	C134	C134-S137 PolarHBondContact N-O 3.22Å; C134-S137 PolarHBondContact O-N 3.27Å
138	Y	75.8	Confident	85.8	Confident	116 Å²	116	25.1 Å²	25.1	46%	0.455	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.8	174.4	-57.8	-84.7	0	0	0	110.5	R104 E133	R104-Y138 VanDerWaalsContact NH1-CE1 3.31Å; E133-Y138 HydrophobicContact CG-CD1 3.76Å; E133-Y138 HydrophobicContact CG-CE1 3.62Å
139	Y	85.1	Confident	85.7	Confident	16 Å²	16	26 Å²	26	6%	0.063	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.4	179.1	-65.8	-12.2	0	0	0	110.7	S131 Y132 C134 T141 E358 Q370	S131-Y139 WeakPolarHBondContact CA-O 3.49Å; S131-Y139 WeakPolarHBondContact CB-O 3.4Å; Y132-Y139 AromaticContact CE2-CD2 3.88Å; Y132-Y139 HydrophobicContact CE2-CD2 3.88Å; Y132-Y139 AromaticContact CZ-CD2 3.84Å; Y132-Y139 PolarHBondContact N-O 3.31Å; Y132-Y139 VanDerWaalsContact N-O 3.15Å; Y132-Y139 PolarHBondContact O-N 2.91Å; C134-Y139 HydrophobicContact CB-CD2 3.79Å; C134-Y139 HydrophobicContact CB-CE2 3.61Å; C134-Y139 HydrophobicContact CB-CG 4.34Å; C134-Y139 WeakPolarHBondContact SG-CE2 3.33Å; Y139-T141 PolarHBondContact O-N 3.1Å; Y139-E358 PolarHBondContact OH-O 2.55Å; Y139-Q370 CarbonylContact C-O 3.49Å; Y139-Q370 WeakPolarHBondContact CA-O 3.32Å; Y139-Q370 WeakPolarHBondContact CB-O 3.24Å; Y139-Q370 HydrophobicContact CD1-CB 3.74Å; Y139-Q370 HydrophobicContact CD1-CG 4Å; Y139-Q370 HydrophobicContact CD2-CB 4.12Å; Y139-Q370 HydrophobicContact CD2-CG 3.78Å; Y139-Q370 HydrophobicContact CE1-CB 4.04Å; Y139-Q370 HydrophobicContact CE1-CG 3.87Å; Y139-Q370 HydrophobicContact CE2-CB 4.37Å; Y139-Q370 HydrophobicContact CE2-CG 3.62Å; Y139-Q370 HydrophobicContact CG-CB 3.8Å; Y139-Q370 HydrophobicContact CG-CG 3.97Å
140	S	89.6	Confident	85.7	Confident	23 Å²	23	26.3 Å²	26.3	16%	0.161	15%	0.149	C	C	.	.			trans	-89.9	80.5	178.6	-62.1	0	0	0	0	110.9	Q370 M371 S372 Q373	S140-Q370 CarbonylContact C-O 3.57Å; S140-Q370 PolarHBondContact N-O 3.39Å; S140-M371 CarbonylContact O-C 3.57Å; S140-M371 VanDerWaalsContact O-C 3.27Å; S140-S372 PolarHBondContact O-N 3.21Å; S140-Q373 PolarHBondContact O-N 3.23Å
141	T	90.5	Very high	85.6	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	16%	0.155	C	C	.	.			trans	-91.8	-18.1	-175.6	59.3	0	0	0	0	114.2	W130 Y132 Y139 Q370 S372 A374	W130-T141 WeakPolarHBondContact CZ3-OG1 3.3Å; W130-T141 PolarHBondContact O-N 3.01Å; Y132-T141 HydrophobicContact CE1-CG2 3.57Å; Y132-T141 WeakPolarHBondContact CE1-OG1 3.34Å; Y139-T141 PolarHBondContact O-N 3.1Å; T141-Q370 WeakPolarHBondContact CG2-O 3.36Å; T141-S372 WeakPolarHBondContact CA-OG 3.42Å; T141-S372 PolarHBondContact O-OG 3.09Å; T141-A374 VanDerWaalsContact O-CB 3.31Å; T141-A374 WeakPolarHBondContact O-CB 3.33Å; T141-A374 PolarHBondContact O-N 2.75Å
142	G	93	Very high	85.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.			trans	78.9	153.5	-177.4	0	0	0	0	0	114.3	G127 P128 W130 A374	G127-G142 WeakPolarHBondContact O-CA 3.06Å; P128-G142 WeakPolarHBondContact O-CA 2.83Å; W130-G142 PolarHBondContact O-N 3.06Å; G142-A374 CarbonylContact C-O 3.59Å; G142-A374 WeakPolarHBondContact CA-O 3.41Å
143	L	93.7	Very high	86.2	Confident	14 Å²	14	37.8 Å²	37.8	7%	0.073	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.2	-178.2	109.9	97.7	0	0	0	110.1	M108 C126 G127 W130 T156 I158	M108-L143 HydrophobicContact CE-CD2 3.98Å; M108-L143 HydrophobicContact SD-CD2 3.8Å; C126-L143 CarbonylContact C-O 3.59Å; C126-L143 VanDerWaalsContact CA-O 3.32Å; C126-L143 WeakPolarHBondContact CA-O 3.15Å; G127-L143 PolarHBondContact N-O 2.9Å; G127-L143 PolarHBondContact O-N 3.36Å; W130-L143 HydrophobicContact CB-CB 3.82Å; W130-L143 HydrophobicContact CB-CD2 3.7Å; W130-L143 HydrophobicContact CB-CG 4.24Å; W130-L143 HydrophobicContact CD2-CB 3.92Å; W130-L143 HydrophobicContact CD2-CD2 4.22Å; W130-L143 HydrophobicContact CE3-CB 4.15Å; W130-L143 HydrophobicContact CG-CB 3.77Å; W130-L143 HydrophobicContact CG-CD2 3.44Å; W130-L143 VanDerWaalsContact CG-CD2 3.44Å; W130-L143 HydrophobicContact CG-CG 4.2Å; L143-T156 HydrophobicContact CD1-CG2 3.77Å; L143-I158 HydrophobicContact CB-CG2 3.96Å
144	C	95.3	Very high	86.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.6	168.1	-58.2	0	0	0	0	111	V124 A125 C126 T156 I157	V124-C144 HydrophobicContact CG1-CB 3.66Å; A125-C144 CarbonylContact O-C 3.57Å; A125-C144 WeakPolarHBondContact O-CA 3.11Å; C126-C144 HydrophobicContact CB-CB 4Å; C126-C144 WeakPolarHBondContact CB-SG 3.25Å; C126-C144 WeakPolarHBondContact SG-CB 3.16Å; C126-C144 CovalentContact SG-SG 2.04Å; C126-C144 PolarHBondContact SG-SG 3.47Å; C144-T156 CarbonylContact O-C 3.5Å; C144-I157 HydrophobicContact CB-CB 4Å; C144-I157 HydrophobicContact CB-CG2 4.38Å; C144-I157 PolarHBondContact N-O 3.23Å; C144-I157 PolarHBondContact O-N 2.94Å
145	S	95.4	Very high	87.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.3	175.1	-66.6	0	0	0	0	109.6	V124 A125	V124-S145 WeakPolarHBondContact CA-O 3.38Å; A125-S145 PolarHBondContact N-O 3.49Å; A125-S145 PolarHBondContact O-N 3.47Å
146	K	94.8	Very high	88.9	Confident	43 Å²	43	41.3 Å²	41.3	19%	0.187	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.9	168.5	-173.5	172.1	-177.5	176.5	0	109.3	D120 S122 V124 S154 R155 I157	D120-K146 IonicContact OD2-NZ 3.29Å; D120-K146 PolarHBondContact OD2-NZ 3.4Å; S122-K146 WeakPolarHBondContact OG-CE 3.28Å; S122-K146 PolarHBondContact OG-NZ 3.35Å; V124-K146 HydrophobicContact CG2-CB 4.12Å; V124-K146 HydrophobicContact CG2-CG 4.09Å; K146-S154 WeakPolarHBondContact O-CB 3.33Å; K146-S154 PolarHBondContact O-N 2.9Å; K146-R155 HydrophobicContact CB-CG 4Å; K146-R155 PolarHBondContact N-O 3.01Å; K146-R155 PolarHBondContact O-N 3.41Å; K146-I157 HydrophobicContact CB-CD1 3.96Å
147	V	95.8	Very high	90.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.4	179.3	-177.1	0	0	0	0	108.7	L93 S122 F123 F151 K152	L93-V147 HydrophobicContact CD1-CG2 3.92Å; L93-V147 HydrophobicContact CD2-CG2 3.81Å; S122-V147 CarbonylContact C-O 3.54Å; S122-V147 VanDerWaalsContact CA-O 3.28Å; S122-V147 WeakPolarHBondContact CA-O 3.48Å; S122-V147 WeakPolarHBondContact CB-O 3.49Å; F123-V147 HydrophobicContact CD1-CB 4.06Å; F123-V147 HydrophobicContact CD1-CG1 4.33Å; F123-V147 HydrophobicContact CD2-CB 4.24Å; F123-V147 HydrophobicContact CD2-CG2 4.47Å; F123-V147 HydrophobicContact CE1-CB 3.54Å; F123-V147 HydrophobicContact CE1-CG1 3.45Å; F123-V147 VanDerWaalsContact CE1-CG1 3.45Å; F123-V147 HydrophobicContact CE1-CG2 4.37Å; F123-V147 HydrophobicContact CE2-CB 3.74Å; F123-V147 HydrophobicContact CE2-CG1 4.3Å; F123-V147 HydrophobicContact CE2-CG2 3.74Å; F123-V147 HydrophobicContact CG-CB 4.38Å; F123-V147 HydrophobicContact CZ-CB 3.36Å; F123-V147 HydrophobicContact CZ-CG1 3.43Å; F123-V147 VanDerWaalsContact CZ-CG1 3.43Å; F123-V147 HydrophobicContact CZ-CG2 3.69Å; F123-V147 PolarHBondContact N-O 3.29Å; F123-V147 PolarHBondContact O-N 3.1Å; V147-F151 VanDerWaalsContact CG1-C 3.49Å; V147-K152 WeakPolarHBondContact CA-O 3.41Å; V147-K152 WeakPolarHBondContact CG1-O 3.3Å
148	N	94.3	Very high	91.7	Very high	56 Å²	56	39.2 Å²	39.2	30%	0.299	20%	0.196	S	C	.	.			trans	-83.9	176.6	-178.5	71	14.2	0	0	0	112.8	S150 F151 K152	N148-S150 PolarHBondContact O-N 3.34Å; N148-S150 PolarHBondContact OD1-N 3.36Å; N148-F151 PolarHBondContact O-N 3.38Å; N148-F151 PolarHBondContact OD1-N 3.47Å; N148-K152 PolarHBondContact N-O 3.34Å; N148-K152 PolarHBondContact OD1-N 3.23Å; N148-K152 PolarHBondContact OD1-O 3.5Å
149	A	92.3	Very high	92	Very high	19 Å²	19	33.7 Å²	33.7	16%	0.157	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.9	-179.7	0	0	0	0	0	115.5	A51 S121	A51-A149 HydrophobicContact CB-CB 3.97Å; A51-A149 PolarHBondContact N-O 3.15Å; S121-A149 VanDerWaalsContact CB-CB 3.5Å; S121-A149 WeakPolarHBondContact O-CA 3.23Å; S121-A149 WeakPolarHBondContact O-CB 3.32Å; S121-A149 PolarHBondContact O-N 3.2Å
150	S	92.3	Very high	92	Very high	69 Å²	69	33 Å²	33	48%	0.483	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.3	176	-51.5	0	0	0	0	112.8	N148 K152	N148-S150 PolarHBondContact O-N 3.34Å; N148-S150 PolarHBondContact OD1-N 3.36Å; S150-K152 PolarHBondContact O-N 2.94Å
151	F	93.4	Very high	91.8	Very high	27 Å²	27	34 Å²	34	12%	0.118	17%	0.174	C	C	.	.	S	Bend	trans	58.7	25.2	-175.3	-55.8	-75.5	0	0	0	114.2	A50 W56 L58 K76 L91 F123 V147 N148	A50-F151 HydrophobicContact CB-CE2 3.59Å; A50-F151 HydrophobicContact CB-CZ 3.79Å; W56-F151 HydrophobicContact CB-CZ 4.02Å; W56-F151 AromaticContact CD1-CZ 3.84Å; W56-F151 HydrophobicContact CD2-CE2 4.01Å; W56-F151 AromaticContact CD2-CZ 3.81Å; W56-F151 HydrophobicContact CD2-CZ 3.81Å; W56-F151 AromaticContact CE2-CE2 3.97Å; W56-F151 HydrophobicContact CE3-CZ 4.36Å; W56-F151 HydrophobicContact CG-CE2 4.15Å; W56-F151 AromaticContact CG-CZ 3.61Å; W56-F151 HydrophobicContact CG-CZ 3.61Å; L58-F151 HydrophobicContact CD2-CD1 4.44Å; L58-F151 HydrophobicContact CD2-CE1 3.85Å; K76-F151 HydrophobicContact CB-CD1 4.26Å; K76-F151 HydrophobicContact CB-CE1 4.02Å; K76-F151 HydrophobicContact CB-CZ 4.41Å; K76-F151 HydrophobicContact CD-CB 4.17Å; K76-F151 HydrophobicContact CD-CD1 3.82Å; K76-F151 HydrophobicContact CD-CD2 3.76Å; K76-F151 HydrophobicContact CD-CE1 4.11Å; K76-F151 HydrophobicContact CD-CE2 4.03Å; K76-F151 HydrophobicContact CD-CG 3.64Å; K76-F151 HydrophobicContact CD-CZ 4.2Å; L91-F151 HydrophobicContact CD2-CB 3.85Å; L91-F151 HydrophobicContact CD2-CD1 4.25Å; L91-F151 HydrophobicContact CD2-CG 4.37Å; F123-F151 AromaticContact CE1-CD1 3.94Å; F123-F151 HydrophobicContact CE1-CD1 3.94Å; F123-F151 HydrophobicContact CE1-CE1 4.28Å; F123-F151 HydrophobicContact CZ-CD1 4.47Å; V147-F151 VanDerWaalsContact CG1-C 3.49Å; N148-F151 PolarHBondContact O-N 3.38Å; N148-F151 PolarHBondContact OD1-N 3.47Å
152	K	93.5	Very high	91.1	Very high	144 Å²	144	37.4 Å²	37.4	63%	0.626	19%	0.19	S	C	*	.			trans	-97.2	138.4	174.3	-63.5	-173.2	179.8	179.4	0	109.8	V147 N148 S150 S154	V147-K152 WeakPolarHBondContact CA-O 3.41Å; V147-K152 WeakPolarHBondContact CG1-O 3.3Å; N148-K152 PolarHBondContact N-O 3.34Å; N148-K152 PolarHBondContact OD1-N 3.23Å; N148-K152 PolarHBondContact OD1-O 3.5Å; S150-K152 PolarHBondContact O-N 2.94Å; K152-S154 PolarHBondContact O-N 3.45Å
153	F	94.2	Very high	90	Very high	82 Å²	82	47.5 Å²	47.5	36%	0.36	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	132	170.3	170.6	-104.6	0	0	0	110.2	I96 R155 T156	I96-F153 HydrophobicContact CD1-CB 3.89Å; I96-F153 HydrophobicContact CD1-CD1 4.28Å; I96-F153 HydrophobicContact CD1-CD2 3.25Å; I96-F153 HydrophobicContact CD1-CE2 3.73Å; I96-F153 HydrophobicContact CD1-CG 3.53Å; I96-F153 HydrophobicContact CD1-CZ 4.41Å; I96-F153 HydrophobicContact CG1-CD2 4.29Å; I96-F153 HydrophobicContact CG1-CG 4.28Å; I96-F153 HydrophobicContact CG2-CE1 4.11Å; I96-F153 HydrophobicContact CG2-CE2 4Å; I96-F153 HydrophobicContact CG2-CZ 3.75Å; F153-R155 WeakPolarHBondContact CE2-O 3.46Å; F153-T156 WeakPolarHBondContact CZ-OG1 3.47Å
154	S	92.4	Very high	88.6	Confident	66 Å²	66	49.6 Å²	49.6	46%	0.462	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-55.3	-179.2	175	0	0	0	0	111.4	K146 K152	K146-S154 WeakPolarHBondContact O-CB 3.33Å; K146-S154 PolarHBondContact O-N 2.9Å; K152-S154 PolarHBondContact O-N 3.45Å
155	R	91.1	Very high	86.7	Confident	86 Å²	86	57.5 Å²	57.5	33%	0.325	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	156.1	-180	65	178.3	-171.6	171.3	6.7	112.4	K146 F153	K146-R155 HydrophobicContact CB-CG 4Å; K146-R155 PolarHBondContact N-O 3.01Å; K146-R155 PolarHBondContact O-N 3.41Å; F153-R155 WeakPolarHBondContact CE2-O 3.46Å
156	T	91.3	Very high	84.8	Confident	36 Å²	36	60.5 Å²	60.5	22%	0.221	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	137.4	170.6	-56.4	0	0	0	0	110.1	L98 L143 C144 F153 I158	L98-T156 HydrophobicContact CD2-CG2 4.06Å; L143-T156 HydrophobicContact CD1-CG2 3.77Å; C144-T156 CarbonylContact O-C 3.5Å; F153-T156 WeakPolarHBondContact CZ-OG1 3.47Å; T156-I158 HydrophobicContact CG2-CG2 3.87Å
157	I	92.1	Very high	83.5	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.3	178	-63.4	156.5	0	0	0	107.1	V124 C144 K146 P159 I385 E402	V124-I157 HydrophobicContact CG1-CD1 4.27Å; V124-I157 HydrophobicContact CG2-CD1 4.2Å; C144-I157 HydrophobicContact CB-CB 4Å; C144-I157 HydrophobicContact CB-CG2 4.38Å; C144-I157 PolarHBondContact N-O 3.23Å; C144-I157 PolarHBondContact O-N 2.94Å; K146-I157 HydrophobicContact CB-CD1 3.96Å; I157-P159 HydrophobicContact CG2-CG 4.44Å; I157-I385 HydrophobicContact CD1-CG2 4.07Å; I157-I385 HydrophobicContact CG2-CG2 4.29Å; I157-E402 HydrophobicContact CG1-CG 4.36Å; I157-E402 HydrophobicContact CG2-CB 3.87Å; I157-E402 HydrophobicContact CG2-CG 3.88Å
158	I	89.5	Confident	82.7	Confident	23 Å²	23	62.2 Å²	62.2	12%	0.118	31%	0.306	C	S	.	.			trans	-135.2	67.5	-176.3	44.5	168.5	0	0	0	109.8	L98 W130 L143 T156 A160 F161 K407	L98-I158 HydrophobicContact CD1-CD1 3.85Å; L98-I158 HydrophobicContact CD2-CD1 4.35Å; W130-I158 HydrophobicContact CZ3-CG2 4.41Å; L143-I158 HydrophobicContact CB-CG2 3.96Å; T156-I158 HydrophobicContact CG2-CG2 3.87Å; I158-A160 PolarHBondContact O-N 3.46Å; I158-F161 HydrophobicContact CB-CB 3.87Å; I158-F161 HydrophobicContact CD1-CB 3.8Å; I158-F161 HydrophobicContact CD1-CD1 4.12Å; I158-F161 HydrophobicContact CD1-CG 3.9Å; I158-F161 HydrophobicContact CG1-CB 4.1Å; I158-F161 WeakPolarHBondContact O-CB 3.26Å; I158-F161 PolarHBondContact O-N 3.28Å; I158-K407 WeakPolarHBondContact O-CE 3.49Å; I158-K407 PolarHBondContact O-NZ 3.45Å
159	P	83	Confident	82.5	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.8	-167.3	24	-28.8	0	0	0	112.7	I157 A374 V387 L400 I409	I157-P159 HydrophobicContact CG2-CG 4.44Å; P159-A374 HydrophobicContact CG-CB 4.18Å; P159-V387 HydrophobicContact CB-CG2 4.49Å; P159-V387 HydrophobicContact CG-CG2 3.44Å; P159-V387 VanDerWaalsContact CG-CG2 3.44Å; P159-L400 HydrophobicContact CB-CB 4.04Å; P159-L400 HydrophobicContact CB-CD1 4.18Å; P159-L400 HydrophobicContact CG-CB 4.25Å; P159-L400 HydrophobicContact CG-CD1 4.21Å; P159-I409 WeakPolarHBondContact O-CD1 3.45Å
160	A	85.1	Confident	82.4	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.008	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.2	177.9	0	0	0	0	0	114.8	I158 Q162 L369 S372 A374 L400	I158-A160 PolarHBondContact O-N 3.46Å; A160-Q162 PolarHBondContact O-N 3.32Å; A160-L369 HydrophobicContact CB-CB 4.33Å; A160-S372 WeakPolarHBondContact CB-OG 3.36Å; A160-A374 HydrophobicContact CB-CB 3.91Å; A160-L400 HydrophobicContact CB-CD1 3.7Å
161	F	84.7	Confident	82.4	Confident	43 Å²	43	55.5 Å²	55.5	19%	0.189	26%	0.262	C	S	.	.			trans	-63.3	122.7	179.1	173	-96.9	0	0	0	110.8	V101 W130 Y132 I158 R163	V101-F161 HydrophobicContact CG1-CE2 4.21Å; V101-F161 HydrophobicContact CG2-CE2 3.95Å; V101-F161 HydrophobicContact CG2-CZ 3.78Å; W130-F161 HydrophobicContact CH2-CD2 4.25Å; W130-F161 HydrophobicContact CZ3-CD2 4.43Å; Y132-F161 HydrophobicContact CD1-CD2 4.07Å; Y132-F161 HydrophobicContact CD1-CE2 4.26Å; Y132-F161 HydrophobicContact CD2-CE2 4.23Å; Y132-F161 AromaticContact CE1-CD2 3.67Å; Y132-F161 HydrophobicContact CE1-CD2 3.67Å; Y132-F161 HydrophobicContact CE1-CE2 4.08Å; Y132-F161 HydrophobicContact CE2-CD2 4.4Å; Y132-F161 HydrophobicContact CE2-CE2 4.05Å; Y132-F161 HydrophobicContact CG-CE2 4.32Å; Y132-F161 AromaticContact CZ-CD2 3.86Å; Y132-F161 AromaticContact CZ-CE2 3.97Å; I158-F161 HydrophobicContact CB-CB 3.87Å; I158-F161 HydrophobicContact CD1-CB 3.8Å; I158-F161 HydrophobicContact CD1-CD1 4.12Å; I158-F161 HydrophobicContact CD1-CG 3.9Å; I158-F161 HydrophobicContact CG1-CB 4.1Å; I158-F161 WeakPolarHBondContact O-CB 3.26Å; I158-F161 PolarHBondContact O-N 3.28Å; F161-R163 HydrophobicContact CE1-CG 4.1Å; F161-R163 HydrophobicContact CZ-CG 4.46Å
162	Q	75.3	Confident	82.5	Confident	74 Å²	74	54.2 Å²	54.2	35%	0.346	26%	0.257	S	S	.	.			trans	-113.9	136.3	172.5	-65.6	179.6	-9.7	0	0	108.2	Y132 A160	Y132-Q162 PolarHBondContact OH-N 3.34Å; Y132-Q162 PolarHBondContact OH-O 3.5Å; A160-Q162 PolarHBondContact O-N 3.32Å
163	R	69.6	Low	82.5	Confident	211 Å²	211	47.4 Å²	47.4	80%	0.796	23%	0.227	S	C	*	.			trans	-62.7	144	169.2	-72.7	-176.7	178.3	170.6	0	108.2	F161 E165	F161-R163 HydrophobicContact CE1-CG 4.1Å; F161-R163 HydrophobicContact CZ-CG 4.46Å; R163-E165 PolarHBondContact O-N 3.22Å
164	C	65.5	Low	82.5	Confident	59 Å²	59	43.6 Å²	43.6	40%	0.399	21%	0.211	S	C	.	.			trans	-53.9	111	172	-72.4	0	0	0	0	110	C134	C134-C164 WeakPolarHBondContact CA-SG 3.37Å; C134-C164 HydrophobicContact CB-CB 4.35Å; C134-C164 WeakPolarHBondContact CB-SG 3.29Å; C134-C164 WeakPolarHBondContact SG-CA 3.47Å; C134-C164 WeakPolarHBondContact SG-CB 3.26Å; C134-C164 CovalentContact SG-SG 2.02Å; C134-C164 PolarHBondContact SG-SG 3.36Å
165	E	55.1	Low	82.4	Confident	165 Å²	165	40.6 Å²	40.6	77%	0.771	19%	0.189	S	C	*	.			trans	-92.6	123.5	172.1	-70.8	-171.2	172.7	0	0	108	R163	R163-E165 PolarHBondContact O-N 3.22Å
166	T	55.5	Low	82.3	Confident	65 Å²	65	36.5 Å²	36.5	40%	0.399	17%	0.174	S	C	.	.			trans	87.2	105.7	175.9	74.5	0	0	0	0	116.9
167	F	68.5	Low	82.1	Confident	78 Å²	78	34.9 Å²	34.9	34%	0.342	16%	0.164	S	C	.	.			trans	-85.7	150.8	154.1	21.9	-87.2	0	0	0	107.7	Q203 R264 A267 K268	F167-Q203 VanDerWaalsContact CB-O 3.25Å; F167-Q203 WeakPolarHBondContact CB-O 3.29Å; F167-R264 HydrophobicContact CD2-CB 4.3Å; F167-R264 HydrophobicContact CE2-CB 4.37Å; F167-A267 HydrophobicContact CD2-CB 3.79Å; F167-A267 HydrophobicContact CE2-CB 4.31Å; F167-A267 CarbonylContact O-C 3.39Å; F167-A267 WeakPolarHBondContact O-CA 3.15Å; F167-A267 VanDerWaalsContact O-CB 3.28Å; F167-A267 WeakPolarHBondContact O-CB 3.09Å; F167-K268 PolarHBondContact O-N 3.48Å
168	M	78.9	Confident	81.8	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.9	-173.2	-63	-178	64.6	0	0	112.1	Q203 I204 Q205 R264 K268 V270 I354 L357 E358	M168-Q203 PolarHBondContact N-O 2.89Å; M168-I204 HydrophobicContact CB-CG1 4.42Å; M168-I204 WeakPolarHBondContact O-CA 3.24Å; M168-Q205 PolarHBondContact O-N 3.44Å; M168-R264 PolarHBondContact O-NH2 3.14Å; M168-K268 WeakPolarHBondContact CA-O 3.45Å; M168-K268 HydrophobicContact CG-CB 4.26Å; M168-V270 HydrophobicContact CE-CB 4.47Å; M168-V270 HydrophobicContact CE-CG2 3.42Å; M168-V270 VanDerWaalsContact CE-CG2 3.42Å; M168-I354 HydrophobicContact CE-CG2 3.96Å; M168-L357 HydrophobicContact CE-CB 4.19Å; M168-L357 HydrophobicContact CE-CD1 4.29Å; M168-E358 HydrophobicContact CG-CG 4.46Å; M168-E358 HydrophobicContact SD-CG 3.47Å; M168-E358 WeakPolarHBondContact SD-CG 3.2Å
169	D	88.6	Confident	81.4	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.011	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.4	171	-66.8	-8.2	0	0	0	107.6	L221 F259 G263 R264 A267 K268 V270	D169-L221 HydrophobicContact CB-CD1 3.98Å; D169-L221 HydrophobicContact CB-CD2 3.99Å; D169-F259 HydrophobicContact CB-CD1 4.41Å; D169-F259 HydrophobicContact CB-CE1 4.39Å; D169-F259 WeakPolarHBondContact O-CE1 2.88Å; D169-G263 VanDerWaalsContact OD2-CA 3.26Å; D169-G263 WeakPolarHBondContact OD2-CA 3.38Å; D169-R264 IonicContact OD1-CZ 2.76Å; D169-R264 VanDerWaalsContact OD1-CZ 3.25Å; D169-R264 IonicContact OD1-NE 2.76Å; D169-R264 PolarHBondContact OD1-NE 3.29Å; D169-R264 IonicContact OD1-NH2 3.61Å; D169-R264 PolarHBondContact OD1-NH2 3.3Å; D169-R264 PolarHBondContact OD2-N 3.09Å; D169-A267 HydrophobicContact CB-CB 4.37Å; D169-K268 PolarHBondContact N-O 3.14Å; D169-V270 PolarHBondContact O-N 3.21Å
170	I	90.5	Very high	81.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.1	-177.8	-54.6	-178.1	0	0	0	108.7	I172 F197 I204 Q205 V206 G207 L221 V270 I272 I354	I170-I172 HydrophobicContact CG2-CG1 4.29Å; I170-F197 HydrophobicContact CD1-CD1 4.43Å; I170-F197 HydrophobicContact CD1-CD2 4.35Å; I170-F197 HydrophobicContact CD1-CE1 4.13Å; I170-F197 HydrophobicContact CD1-CE2 4.03Å; I170-F197 HydrophobicContact CD1-CZ 3.91Å; I170-I204 HydrophobicContact CD1-CG2 3.73Å; I170-I204 HydrophobicContact CG1-CG2 3.97Å; I170-Q205 PolarHBondContact N-O 2.68Å; I170-V206 HydrophobicContact CB-CG2 4.42Å; I170-V206 CarbonylContact O-C 3.45Å; I170-V206 VanDerWaalsContact O-CA 3.28Å; I170-V206 WeakPolarHBondContact O-CA 3.34Å; I170-G207 PolarHBondContact O-N 2.66Å; I170-L221 WeakPolarHBondContact O-CD2 3.36Å; I170-V270 CarbonylContact C-O 3.6Å; I170-V270 VanDerWaalsContact CA-O 3.29Å; I170-V270 WeakPolarHBondContact CA-O 3.43Å; I170-V270 HydrophobicContact CG1-CB 4.29Å; I170-I272 HydrophobicContact CG2-CD1 3.9Å; I170-I272 HydrophobicContact CG2-CG1 4.25Å; I170-I354 HydrophobicContact CD1-CG2 4.08Å
171	V	93.7	Very high	81.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.3	171.7	178	0	0	0	0	109	V173 G207 V209 L221 A254 A258 F259 V270 M271 I272	V171-V173 HydrophobicContact CG1-CG2 4.29Å; V171-G207 CarbonylContact C-O 3.08Å; V171-G207 WeakPolarHBondContact CA-O 3.1Å; V171-V209 HydrophobicContact CG1-CG2 3.98Å; V171-L221 HydrophobicContact CG2-CD1 4.24Å; V171-L221 HydrophobicContact CG2-CD2 4.27Å; V171-L221 HydrophobicContact CG2-CG 4.35Å; V171-A254 HydrophobicContact CG1-CB 3.97Å; V171-A258 HydrophobicContact CG1-CB 3.79Å; V171-A258 HydrophobicContact CG2-CB 4.04Å; V171-F259 HydrophobicContact CB-CD2 4.49Å; V171-F259 HydrophobicContact CB-CE1 4.13Å; V171-F259 HydrophobicContact CB-CE2 3.88Å; V171-F259 HydrophobicContact CB-CZ 3.68Å; V171-F259 HydrophobicContact CG2-CD1 3.79Å; V171-F259 HydrophobicContact CG2-CD2 4.08Å; V171-F259 HydrophobicContact CG2-CE1 3.55Å; V171-F259 HydrophobicContact CG2-CE2 3.87Å; V171-F259 HydrophobicContact CG2-CG 4.05Å; V171-F259 HydrophobicContact CG2-CZ 3.61Å; V171-V270 PolarHBondContact N-O 3.32Å; V171-M271 CarbonylContact O-C 3.6Å; V171-M271 VanDerWaalsContact O-CA 3.29Å; V171-M271 WeakPolarHBondContact O-CA 3.39Å; V171-I272 PolarHBondContact O-N 2.74Å
172	I	94.2	Very high	81.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.4	176.5	-51	178.9	0	0	0	108	I170 L174 L190 V206 G207 V208 V209 I272 I274	I170-I172 HydrophobicContact CG2-CG1 4.29Å; I172-L174 HydrophobicContact CG2-CD2 3.67Å; I172-L174 HydrophobicContact CG2-CG 3.92Å; I172-L190 HydrophobicContact CD1-CD1 3.79Å; I172-L190 HydrophobicContact CG2-CD1 4.07Å; I172-V206 HydrophobicContact CD1-CG1 4.21Å; I172-V206 HydrophobicContact CG1-CG1 4.38Å; I172-G207 PolarHBondContact N-O 3.36Å; I172-V208 HydrophobicContact CB-CG2 4.26Å; I172-V208 HydrophobicContact CD1-CG2 4.48Å; I172-V208 WeakPolarHBondContact O-CA 3.34Å; I172-V209 PolarHBondContact O-N 3.26Å; I172-I272 CarbonylContact C-O 3.54Å; I172-I272 WeakPolarHBondContact CA-O 3.47Å; I172-I272 HydrophobicContact CG1-CB 4.46Å; I172-I272 HydrophobicContact CG1-CD1 4.38Å; I172-I272 HydrophobicContact CG2-CB 4.43Å; I172-I274 HydrophobicContact CG2-CD1 3.97Å
173	V	94.1	Very high	81.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.6	-179.3	-173.8	0	0	0	0	107.4	V171 V209 Y211 A254 M271 I272 V273 I274	V171-V173 HydrophobicContact CG1-CG2 4.29Å; V173-V209 CarbonylContact C-O 3.56Å; V173-V209 WeakPolarHBondContact CA-O 3.37Å; V173-Y211 HydrophobicContact CG1-CD1 3.58Å; V173-Y211 HydrophobicContact CG1-CE1 3.73Å; V173-A254 HydrophobicContact CG2-CB 3.5Å; V173-A254 VanDerWaalsContact CG2-CB 3.5Å; V173-M271 HydrophobicContact CG2-CG 3.72Å; V173-M271 HydrophobicContact CG2-SD 4.04Å; V173-I272 PolarHBondContact N-O 2.67Å; V173-V273 HydrophobicContact CB-CG2 4.34Å; V173-V273 WeakPolarHBondContact O-CA 3.34Å; V173-I274 PolarHBondContact O-N 3.36Å
174	L	92.9	Very high	82.8	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.9	-172.1	-62.4	170.5	0	0	0	111	I172 G176 V186 L190 V208 V209 Q210 Y211 I274	I172-L174 HydrophobicContact CG2-CD2 3.67Å; I172-L174 HydrophobicContact CG2-CG 3.92Å; L174-G176 PolarHBondContact O-N 3.44Å; L174-V186 HydrophobicContact CD2-CG1 4.08Å; L174-L190 HydrophobicContact CD1-CD1 3.88Å; L174-L190 HydrophobicContact CD2-CD1 4.23Å; L174-V208 HydrophobicContact CD1-CG1 3.49Å; L174-V208 VanDerWaalsContact CD1-CG1 3.49Å; L174-V208 HydrophobicContact CG-CG1 4.25Å; L174-V209 PolarHBondContact N-O 2.92Å; L174-Q210 HydrophobicContact CB-CG 4.48Å; L174-Q210 CarbonylContact O-C 3.39Å; L174-Q210 VanDerWaalsContact O-CA 3.29Å; L174-Q210 WeakPolarHBondContact O-CA 2.99Å; L174-Y211 VanDerWaalsContact C-CD1 3.45Å; L174-Y211 VanDerWaalsContact C-CE1 3.43Å; L174-Y211 WeakPolarHBondContact O-CD1 3.42Å; L174-Y211 PolarHBondContact O-N 2.88Å; L174-I274 HydrophobicContact CD2-CB 4.29Å; L174-I274 HydrophobicContact CD2-CD1 3.53Å; L174-I274 HydrophobicContact CD2-CG1 4.49Å
175	D	90.6	Very high	83.8	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	120.3	164.5	-169.7	-11.3	0	0	0	109.7	S177 I180 W183 Y211 T245 I274 T275	D175-S177 WeakPolarHBondContact OD1-CB 3.35Å; D175-S177 PolarHBondContact OD1-N 3.25Å; D175-S177 PolarHBondContact OD1-OG 3.33Å; D175-S177 PolarHBondContact OD2-OG 2.93Å; D175-I180 HydrophobicContact CB-CG1 4.33Å; D175-W183 WeakPolarHBondContact O-CZ3 3.46Å; D175-Y211 HydrophobicContact CB-CE1 4.02Å; D175-Y211 HydrophobicContact CB-CE2 4.33Å; D175-Y211 VanDerWaalsContact N-CE1 3.31Å; D175-T245 WeakPolarHBondContact OD2-CG2 3.31Å; D175-I274 VanDerWaalsContact CB-O 3.28Å; D175-I274 WeakPolarHBondContact CB-O 3.47Å; D175-I274 PolarHBondContact N-O 3.46Å; D175-T275 PolarHBondContact OD2-OG1 2.94Å
176	G	88.8	Confident	85.4	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.			trans	-112.9	15.1	177	0	0	0	0	0	113.4	L174 Y211 Q239 G241	L174-G176 PolarHBondContact O-N 3.44Å; G176-Y211 WeakPolarHBondContact CA-O 3.23Å; G176-Y211 PolarHBondContact N-O 2.86Å; G176-Q239 WeakPolarHBondContact O-CG 3.25Å; G176-G241 VanDerWaalsContact O-CA 3.31Å; G176-G241 WeakPolarHBondContact O-CA 3.48Å; G176-G241 PolarHBondContact O-N 3.3Å
177	S	87.2	Confident	86.9	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.007	14%	0.137	C	C	.	.	S	Bend	trans	-64.7	168.7	176	67.2	0	0	0	0	112.3	D175 S179 Q239 T245	D175-S177 WeakPolarHBondContact OD1-CB 3.35Å; D175-S177 PolarHBondContact OD1-N 3.25Å; D175-S177 PolarHBondContact OD1-OG 3.33Å; D175-S177 PolarHBondContact OD2-OG 2.93Å; S177-S179 PolarHBondContact O-N 3.27Å; S177-S179 PolarHBondContact OG-OG 2.9Å; S177-Q239 PolarHBondContact O-NE2 2.91Å; S177-T245 PolarHBondContact OG-OG1 3.22Å
178	N	85.8	Confident	87.9	Confident	102 Å²	102	28.9 Å²	28.9	55%	0.545	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.5	-177.3	-71.2	-25.9	0	0	0	114.3	G241 G242	N178-G241 WeakPolarHBondContact OD1-CA 3.46Å; N178-G242 WeakPolarHBondContact CB-O 3.46Å; N178-G242 VanDerWaalsContact CG-O 3.31Å; N178-G242 PolarHBondContact N-O 3.1Å; N178-G242 PolarHBondContact ND2-N 3.03Å; N178-G242 PolarHBondContact ND2-O 3.42Å; N178-G242 VanDerWaalsContact ND2-O 3.12Å; N178-G242 PolarHBondContact OD1-N 3.21Å
179	S	81.4	Confident	88.3	Confident	27 Å²	27	28.8 Å²	28.8	19%	0.189	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-33.8	177.8	44.6	0	0	0	0	112.4	S177 Y181 D276	S177-S179 PolarHBondContact O-N 3.27Å; S177-S179 PolarHBondContact OG-OG 2.9Å; S179-Y181 PolarHBondContact O-N 3.38Å; S179-Y181 VanDerWaalsContact O-N 3.13Å; S179-D276 WeakPolarHBondContact CB-OD1 3.06Å; S179-D276 WeakPolarHBondContact CB-OD2 3.42Å; S179-D276 PolarHBondContact OG-OD1 3.33Å; S179-D276 PolarHBondContact OG-OD2 2.75Å
180	I	83.8	Confident	88.4	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.135	C	C	.	.	S	Bend	trans	-68.2	107.1	175.1	-61.7	-76.2	0	0	0	109.4	D175 W183 V186 Q239 D276	D175-I180 HydrophobicContact CB-CG1 4.33Å; I180-W183 HydrophobicContact CG2-CE3 3.8Å; I180-W183 HydrophobicContact CG2-CZ3 4.12Å; I180-V186 HydrophobicContact CG2-CG2 3.69Å; I180-Q239 PolarHBondContact O-NE2 3.11Å; I180-D276 HydrophobicContact CD1-CB 3.42Å; I180-D276 VanDerWaalsContact CD1-CB 3.42Å; I180-D276 WeakPolarHBondContact CD1-OD1 3.45Å; I180-D276 HydrophobicContact CG1-CB 4.34Å; I180-D276 PolarHBondContact N-OD2 2.76Å; I180-D276 VanDerWaalsContact N-OD2 3.13Å
181	Y	80.8	Confident	88.2	Confident	161 Å²	161	29.6 Å²	29.6	63%	0.631	14%	0.139	S	C	*	.			trans	-151.3	130.5	177	-177.4	-90.3	0	0	0	111.3	S179 R310	S179-Y181 PolarHBondContact O-N 3.38Å; S179-Y181 VanDerWaalsContact O-N 3.13Å; Y181-R310 VanDerWaalsContact O-CZ 3.28Å; Y181-R310 PolarHBondContact O-NH1 3.02Å; Y181-R310 PolarHBondContact O-NH2 3.44Å; Y181-R310 VanDerWaalsContact O-NH2 3.11Å
182	P	87.1	Confident	87.9	Confident	32 Å²	32	32.1 Å²	32.1	21%	0.208	15%	0.152	C	C	.	.	S	Bend	cis	-82.5	141.8	0.4	-14.9	32.3	0	0	0	114.4	Y184 E185	P182-Y184 VanDerWaalsContact C-N 3.3Å; P182-Y184 HydrophobicContact CB-CD1 3.48Å; P182-Y184 VanDerWaalsContact CB-CD1 3.48Å; P182-Y184 HydrophobicContact CB-CE1 3.19Å; P182-Y184 HydrophobicContact CG-CD1 4.47Å; P182-Y184 HydrophobicContact CG-CE1 3.71Å; P182-Y184 PolarHBondContact O-N 2.79Å; P182-E185 PolarHBondContact O-N 2.8Å
183	W	88.4	Confident	87.5	Confident	29 Å²	29	32 Å²	32	11%	0.11	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-32.5	-178.6	-178.7	-112.1	0	0	0	115.1	D175 I180 E185 V186 Q187 Q210 I237 Q239	D175-W183 WeakPolarHBondContact O-CZ3 3.46Å; I180-W183 HydrophobicContact CG2-CE3 3.8Å; I180-W183 HydrophobicContact CG2-CZ3 4.12Å; W183-E185 PolarHBondContact O-N 2.71Å; W183-E185 VanDerWaalsContact O-N 3.15Å; W183-V186 HydrophobicContact CE3-CB 4.45Å; W183-V186 HydrophobicContact CH2-CG1 4.29Å; W183-V186 HydrophobicContact CZ3-CB 4.41Å; W183-V186 HydrophobicContact CZ3-CG1 4.25Å; W183-V186 PolarHBondContact O-N 2.93Å; W183-V186 VanDerWaalsContact O-N 3.12Å; W183-Q187 PolarHBondContact O-N 3.34Å; W183-Q210 HydrophobicContact CH2-CG 4.45Å; W183-I237 HydrophobicContact CZ2-CG2 4.06Å; W183-I237 PolarHBondContact NE1-O 3.02Å; W183-Q239 HydrophobicContact CB-CB 4.11Å; W183-Q239 HydrophobicContact CD2-CB 3.62Å; W183-Q239 HydrophobicContact CD2-CG 3.96Å; W183-Q239 HydrophobicContact CE3-CB 3.99Å; W183-Q239 HydrophobicContact CE3-CG 3.77Å; W183-Q239 HydrophobicContact CG-CB 3.65Å; W183-Q239 HydrophobicContact CG-CG 4.3Å; W183-Q239 HydrophobicContact CZ3-CG 4.36Å
184	Y	87.9	Confident	87.2	Confident	122 Å²	122	32.1 Å²	32.1	48%	0.478	15%	0.152	S	C	.	.	H	α-helix	trans	-63.3	-24.2	-174.1	72.1	-97.8	0	0	0	112.9	P182 Q187 D188	P182-Y184 VanDerWaalsContact C-N 3.3Å; P182-Y184 HydrophobicContact CB-CD1 3.48Å; P182-Y184 VanDerWaalsContact CB-CD1 3.48Å; P182-Y184 HydrophobicContact CB-CE1 3.19Å; P182-Y184 HydrophobicContact CG-CD1 4.47Å; P182-Y184 HydrophobicContact CG-CE1 3.71Å; P182-Y184 PolarHBondContact O-N 2.79Å; Y184-Q187 WeakPolarHBondContact O-CB 3.36Å; Y184-Q187 PolarHBondContact O-N 2.91Å; Y184-D188 PolarHBondContact O-N 2.73Å
185	E	87.1	Confident	86.8	Confident	21 Å²	21	37 Å²	37	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-70.6	-37.3	176.6	-66.2	-66.5	174.8	0	0	112.1	P182 W183 Q187 D188 F189 E340 K344	P182-E185 PolarHBondContact O-N 2.8Å; W183-E185 PolarHBondContact O-N 2.71Å; W183-E185 VanDerWaalsContact O-N 3.15Å; E185-Q187 VanDerWaalsContact C-N 3.3Å; E185-D188 PolarHBondContact O-N 2.9Å; E185-F189 WeakPolarHBondContact O-CB 3.2Å; E185-F189 PolarHBondContact O-N 2.86Å; E185-E340 HydrophobicContact CB-CB 3.8Å; E185-E340 HydrophobicContact CG-CB 4.26Å; E185-K344 IonicContact OE2-NZ 3.27Å; E185-K344 PolarHBondContact OE2-NZ 3.33Å
186	V	87.5	Confident	86.2	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-36.4	173.4	179.3	0	0	0	0	110.5	L174 I180 W183 F189 L190 L343	L174-V186 HydrophobicContact CD2-CG1 4.08Å; I180-V186 HydrophobicContact CG2-CG2 3.69Å; W183-V186 HydrophobicContact CE3-CB 4.45Å; W183-V186 HydrophobicContact CH2-CG1 4.29Å; W183-V186 HydrophobicContact CZ3-CB 4.41Å; W183-V186 HydrophobicContact CZ3-CG1 4.25Å; W183-V186 PolarHBondContact O-N 2.93Å; W183-V186 VanDerWaalsContact O-N 3.12Å; V186-F189 PolarHBondContact O-N 3.33Å; V186-L190 PolarHBondContact O-N 3.29Å; V186-L343 HydrophobicContact CG2-CD1 4.03Å
187	Q	88.2	Confident	85.8	Confident	41 Å²	41	41.4 Å²	41.4	19%	0.192	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-44.8	174.5	-171.9	173.5	37.8	0	0	112.2	W183 Y184 E185 L190 I191 A234 R235	W183-Q187 PolarHBondContact O-N 3.34Å; Y184-Q187 WeakPolarHBondContact O-CB 3.36Å; Y184-Q187 PolarHBondContact O-N 2.91Å; E185-Q187 VanDerWaalsContact C-N 3.3Å; Q187-L190 WeakPolarHBondContact O-CB 3.32Å; Q187-L190 PolarHBondContact O-N 2.72Å; Q187-I191 HydrophobicContact CG-CD1 4.16Å; Q187-I191 WeakPolarHBondContact O-CD1 3.36Å; Q187-I191 VanDerWaalsContact O-CG1 3.3Å; Q187-I191 WeakPolarHBondContact O-CG1 3.49Å; Q187-I191 PolarHBondContact O-N 2.91Å; Q187-A234 PolarHBondContact NE2-O 2.86Å; Q187-R235 VanDerWaalsContact NE2-CA 3.26Å; Q187-R235 PolarHBondContact NE2-O 2.86Å
188	D	87.7	Confident	85.1	Confident	56 Å²	56	45.9 Å²	45.9	30%	0.299	21%	0.214	S	C	.	.	H	α-helix	trans	-61.1	-43.6	174.2	-86.4	-5.9	0	0	0	111.5	Y184 E185 L190 I191 N192 K344	Y184-D188 PolarHBondContact O-N 2.73Å; E185-D188 PolarHBondContact O-N 2.9Å; D188-L190 VanDerWaalsContact C-N 3.35Å; D188-L190 PolarHBondContact O-N 2.9Å; D188-I191 PolarHBondContact O-N 3.05Å; D188-N192 WeakPolarHBondContact O-CB 3.49Å; D188-N192 PolarHBondContact O-N 3.35Å; D188-N192 PolarHBondContact O-ND2 2.87Å; D188-K344 WeakPolarHBondContact OD2-CE 3.44Å; D188-K344 IonicContact OD2-NZ 2.82Å; D188-K344 PolarHBondContact OD2-NZ 2.93Å
189	F	88.6	Confident	84.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.6	-48.3	173.6	167.7	-96.6	0	0	0	111.5	E185 V186 I191 N192 I193 I274 I302 L343 I346 V347 L350	E185-F189 WeakPolarHBondContact O-CB 3.2Å; E185-F189 PolarHBondContact O-N 2.86Å; V186-F189 PolarHBondContact O-N 3.33Å; F189-I191 VanDerWaalsContact C-N 3.32Å; F189-I191 PolarHBondContact O-N 3.09Å; F189-N192 PolarHBondContact O-N 2.82Å; F189-I193 HydrophobicContact CE1-CG2 4.34Å; F189-I193 HydrophobicContact CZ-CD1 4.05Å; F189-I193 WeakPolarHBondContact O-CG2 3.35Å; F189-I193 PolarHBondContact O-N 2.97Å; F189-I274 HydrophobicContact CD1-CD1 4.14Å; F189-I274 HydrophobicContact CE1-CD1 3.46Å; F189-I274 VanDerWaalsContact CE1-CD1 3.46Å; F189-I274 HydrophobicContact CE1-CG1 4.49Å; F189-I274 HydrophobicContact CZ-CD1 4.27Å; F189-I302 HydrophobicContact CZ-CD1 3.99Å; F189-L343 HydrophobicContact CB-CB 3.88Å; F189-L343 HydrophobicContact CB-CD1 4.27Å; F189-L343 HydrophobicContact CD2-CB 3.76Å; F189-L343 HydrophobicContact CD2-CD2 4.43Å; F189-L343 VanDerWaalsContact CD2-O 3.25Å; F189-L343 WeakPolarHBondContact CD2-O 3.08Å; F189-L343 HydrophobicContact CG-CB 3.94Å; F189-L343 HydrophobicContact CG-CD1 4.4Å; F189-I346 HydrophobicContact CE2-CD1 3.98Å; F189-I346 HydrophobicContact CE2-CG1 3.99Å; F189-I346 HydrophobicContact CZ-CD1 4.48Å; F189-V347 HydrophobicContact CD2-CG2 3.61Å; F189-V347 HydrophobicContact CE2-CG2 3.83Å; F189-L350 HydrophobicContact CE2-CD2 4.48Å; F189-L350 HydrophobicContact CZ-CD2 3.97Å
190	L	89.2	Confident	84.3	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-43.9	177.8	-160.2	89.3	0	0	0	111.3	I172 L174 V186 Q187 D188 I193 L194 V208 A234 I237	I172-L190 HydrophobicContact CD1-CD1 3.79Å; I172-L190 HydrophobicContact CG2-CD1 4.07Å; L174-L190 HydrophobicContact CD1-CD1 3.88Å; L174-L190 HydrophobicContact CD2-CD1 4.23Å; V186-L190 PolarHBondContact O-N 3.29Å; Q187-L190 WeakPolarHBondContact O-CB 3.32Å; Q187-L190 PolarHBondContact O-N 2.72Å; D188-L190 VanDerWaalsContact C-N 3.35Å; D188-L190 PolarHBondContact O-N 2.9Å; L190-I193 VanDerWaalsContact O-CG2 3.29Å; L190-I193 WeakPolarHBondContact O-CG2 3.38Å; L190-L194 HydrophobicContact CD2-CD1 3.9Å; L190-L194 HydrophobicContact CG-CD1 3.83Å; L190-L194 HydrophobicContact CG-CG 4.42Å; L190-L194 WeakPolarHBondContact O-CB 3.16Å; L190-L194 VanDerWaalsContact O-CD1 3.27Å; L190-L194 WeakPolarHBondContact O-CD1 3.34Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 2.96Å; L190-V208 HydrophobicContact CD1-CG2 4.33Å; L190-V208 HydrophobicContact CD2-CG2 4.36Å; L190-A234 HydrophobicContact CD2-CB 3.45Å; L190-A234 VanDerWaalsContact CD2-CB 3.45Å; L190-A234 HydrophobicContact CG-CB 4.43Å; L190-I237 HydrophobicContact CD2-CD1 3.82Å
191	I	88.2	Confident	83.6	Confident	15 Å²	15	44.9 Å²	44.9	8%	0.077	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-48.2	178.8	-68.9	160.4	0	0	0	110.4	Q187 D188 F189 L194 Q195 V231 A234 R235	Q187-I191 HydrophobicContact CG-CD1 4.16Å; Q187-I191 WeakPolarHBondContact O-CD1 3.36Å; Q187-I191 VanDerWaalsContact O-CG1 3.3Å; Q187-I191 WeakPolarHBondContact O-CG1 3.49Å; Q187-I191 PolarHBondContact O-N 2.91Å; D188-I191 PolarHBondContact O-N 3.05Å; F189-I191 VanDerWaalsContact C-N 3.32Å; F189-I191 PolarHBondContact O-N 3.09Å; I191-L194 PolarHBondContact O-N 3.45Å; I191-Q195 WeakPolarHBondContact O-CB 3.3Å; I191-Q195 VanDerWaalsContact O-CG 3.3Å; I191-Q195 WeakPolarHBondContact O-CG 3.34Å; I191-Q195 PolarHBondContact O-N 3.45Å; I191-V231 HydrophobicContact CG2-CG1 3.94Å; I191-A234 HydrophobicContact CG1-CB 4.19Å; I191-R235 HydrophobicContact CD1-CG 3.47Å; I191-R235 VanDerWaalsContact CD1-CG 3.47Å; I191-R235 HydrophobicContact CG1-CG 4.08Å
192	N	86.4	Confident	82.9	Confident	53 Å²	53	40 Å²	40	28%	0.283	21%	0.214	S	C	.	.	H	α-helix	trans	-65.5	-40.8	-176.3	-70	-24.1	0	0	0	111.7	D188 F189 K196 V347	D188-N192 WeakPolarHBondContact O-CB 3.49Å; D188-N192 PolarHBondContact O-N 3.35Å; D188-N192 PolarHBondContact O-ND2 2.87Å; F189-N192 PolarHBondContact O-N 2.82Å; N192-K196 WeakPolarHBondContact O-CG 3.42Å; N192-V347 HydrophobicContact CB-CG1 4.23Å; N192-V347 HydrophobicContact CB-CG2 4.12Å
193	I	86.6	Confident	82.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70	-41.4	176.7	-162.6	-177.5	0	0	0	111.8	F189 L190 Q195 K196 F197 I272 V347 L350	F189-I193 HydrophobicContact CE1-CG2 4.34Å; F189-I193 HydrophobicContact CZ-CD1 4.05Å; F189-I193 WeakPolarHBondContact O-CG2 3.35Å; F189-I193 PolarHBondContact O-N 2.97Å; L190-I193 VanDerWaalsContact O-CG2 3.29Å; L190-I193 WeakPolarHBondContact O-CG2 3.38Å; I193-Q195 VanDerWaalsContact C-N 3.29Å; I193-Q195 PolarHBondContact O-N 2.81Å; I193-K196 WeakPolarHBondContact O-CB 3.25Å; I193-K196 PolarHBondContact O-N 2.9Å; I193-F197 HydrophobicContact CD1-CE2 4.13Å; I193-F197 HydrophobicContact CD1-CZ 3.76Å; I193-F197 HydrophobicContact CG1-CE1 4.34Å; I193-F197 HydrophobicContact CG1-CE2 3.88Å; I193-F197 HydrophobicContact CG1-CZ 3.63Å; I193-F197 PolarHBondContact O-N 3.17Å; I193-I272 HydrophobicContact CD1-CD1 4.12Å; I193-V347 HydrophobicContact CB-CG1 4.33Å; I193-L350 HydrophobicContact CD1-CD2 3.48Å; I193-L350 VanDerWaalsContact CD1-CD2 3.48Å; I193-L350 HydrophobicContact CD1-CG 4.12Å
194	L	87.2	Confident	81.9	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-34.8	178.3	-74	170	0	0	0	112.3	L190 I191 K196 F197 V206 V230 V231 A234	L190-L194 HydrophobicContact CD2-CD1 3.9Å; L190-L194 HydrophobicContact CG-CD1 3.83Å; L190-L194 HydrophobicContact CG-CG 4.42Å; L190-L194 WeakPolarHBondContact O-CB 3.16Å; L190-L194 VanDerWaalsContact O-CD1 3.27Å; L190-L194 WeakPolarHBondContact O-CD1 3.34Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 2.96Å; I191-L194 PolarHBondContact O-N 3.45Å; L194-K196 PolarHBondContact O-N 2.82Å; L194-F197 HydrophobicContact CD2-CD2 4.26Å; L194-F197 PolarHBondContact O-N 2.51Å; L194-V206 HydrophobicContact CD2-CB 4.13Å; L194-V206 HydrophobicContact CD2-CG1 3.7Å; L194-V206 HydrophobicContact CD2-CG2 4.12Å; L194-V230 HydrophobicContact CD1-CG1 3.79Å; L194-V230 HydrophobicContact CD2-CG1 3.79Å; L194-V230 HydrophobicContact CG-CG1 4.34Å; L194-V231 HydrophobicContact CB-CG2 4.07Å; L194-A234 HydrophobicContact CD1-CB 3.72Å
195	Q	84.4	Confident	81.9	Confident	107 Å²	107	35.8 Å²	35.8	50%	0.5	20%	0.196	S	C	.	.	H	α-helix	trans	-66.1	-22.9	175	-77.7	179.5	-19	0	0	113.5	I191 I193 V231	I191-Q195 WeakPolarHBondContact O-CB 3.3Å; I191-Q195 VanDerWaalsContact O-CG 3.3Å; I191-Q195 WeakPolarHBondContact O-CG 3.34Å; I191-Q195 PolarHBondContact O-N 3.45Å; I193-Q195 VanDerWaalsContact C-N 3.29Å; I193-Q195 PolarHBondContact O-N 2.81Å; Q195-V231 HydrophobicContact CG-CG2 3.87Å
196	K	78.8	Confident	82.1	Confident	91 Å²	91	35 Å²	35	40%	0.396	19%	0.193	S	C	.	.	H	α-helix	trans	-77.6	-29.1	174.2	-62	-72.8	-172.8	158.8	0	111.5	N192 I193 L194 V347 D348 F355	N192-K196 WeakPolarHBondContact O-CG 3.42Å; I193-K196 WeakPolarHBondContact O-CB 3.25Å; I193-K196 PolarHBondContact O-N 2.9Å; L194-K196 PolarHBondContact O-N 2.82Å; K196-V347 HydrophobicContact CG-CG1 4.13Å; K196-D348 VanDerWaalsContact CE-OD1 3.25Å; K196-D348 WeakPolarHBondContact CE-OD1 3.49Å; K196-D348 IonicContact NZ-OD1 3.56Å; K196-D348 PolarHBondContact NZ-OD1 2.79Å; K196-F355 HydrophobicContact CB-CE2 4.38Å; K196-F355 HydrophobicContact CB-CZ 4.29Å; K196-F355 WeakPolarHBondContact O-CZ 3.2Å
197	F	78.8	Confident	82.3	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.013	19%	0.193	C	C	.	.	S	Bend	trans	-77.7	142.3	-177.8	-60.6	-34.6	0	0	0	112.8	I170 I193 L194 V199 I204 V206 V227 I354 F355	I170-F197 HydrophobicContact CD1-CD1 4.43Å; I170-F197 HydrophobicContact CD1-CD2 4.35Å; I170-F197 HydrophobicContact CD1-CE1 4.13Å; I170-F197 HydrophobicContact CD1-CE2 4.03Å; I170-F197 HydrophobicContact CD1-CZ 3.91Å; I193-F197 HydrophobicContact CD1-CE2 4.13Å; I193-F197 HydrophobicContact CD1-CZ 3.76Å; I193-F197 HydrophobicContact CG1-CE1 4.34Å; I193-F197 HydrophobicContact CG1-CE2 3.88Å; I193-F197 HydrophobicContact CG1-CZ 3.63Å; I193-F197 PolarHBondContact O-N 3.17Å; L194-F197 HydrophobicContact CD2-CD2 4.26Å; L194-F197 PolarHBondContact O-N 2.51Å; F197-V199 HydrophobicContact CB-CG2 4.33Å; F197-V199 PolarHBondContact O-N 3.07Å; F197-I204 HydrophobicContact CB-CD1 4.14Å; F197-I204 HydrophobicContact CD1-CD1 4.27Å; F197-I204 HydrophobicContact CG-CD1 4.42Å; F197-V206 HydrophobicContact CD2-CG2 4.21Å; F197-V227 WeakPolarHBondContact O-CG2 3.49Å; F197-I354 HydrophobicContact CE1-CD1 4.19Å; F197-I354 HydrophobicContact CE1-CG2 4.09Å; F197-I354 HydrophobicContact CZ-CD1 3.93Å; F197-F355 HydrophobicContact CD1-CE1 4.1Å; F197-F355 AromaticContact CD1-CZ 3.86Å; F197-F355 HydrophobicContact CD1-CZ 3.86Å; F197-F355 HydrophobicContact CE1-CZ 4.38Å
198	H	72.8	Confident	82.6	Confident	95 Å²	95	33 Å²	33	44%	0.44	18%	0.184	S	C	.	.			trans	-91.9	85	173.3	-64.8	80	0	0	0	109.5	Q203 I204	H198-Q203 WeakPolarHBondContact O-CB 3.29Å; H198-Q203 PolarHBondContact O-OE1 3.47Å; H198-I204 PolarHBondContact O-N 2.84Å
199	V	78.9	Confident	82.9	Confident	13 Å²	13	30.3 Å²	30.3	8%	0.079	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-76.9	123.9	-176.8	-179.6	0	0	0	0	110.6	F197 I204 V206 V227 V230	F197-V199 HydrophobicContact CB-CG2 4.33Å; F197-V199 PolarHBondContact O-N 3.07Å; V199-I204 WeakPolarHBondContact CA-O 2.87Å; V199-V206 HydrophobicContact CG2-CG2 4.12Å; V199-V227 HydrophobicContact CB-CG2 3.85Å; V199-V227 HydrophobicContact CG2-CG2 4Å; V199-V230 HydrophobicContact CG1-CG2 4.04Å
200	G	72.6	Confident	83.1	Confident	9 Å²	9	30.4 Å²	30.4	9%	0.093	17%	0.17	C	C	.	.	S	Bend	trans	-174.8	158.8	177.6	0	0	0	0	0	113.7	G202 Q203 I204	G200-G202 PolarHBondContact O-N 3.36Å; G200-G202 VanDerWaalsContact O-N 3.12Å; G200-Q203 CarbonylContact O-C 3.53Å; G200-Q203 PolarHBondContact O-N 3.29Å; G200-I204 PolarHBondContact N-O 2.88Å
201	P	68.6	Low	83.2	Confident	88 Å²	88	30.3 Å²	30.3	57%	0.571	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.2	-173.5	21.6	-31.8	0	0	0	114.2	R264	P201-R264 PolarHBondContact O-NH1 3.29Å
202	G	66.1	Low	83.1	Confident	59 Å²	59	29.8 Å²	29.8	61%	0.608	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	4.7	175.3	0	0	0	0	0	115.4	G200	G200-G202 PolarHBondContact O-N 3.36Å; G200-G202 VanDerWaalsContact O-N 3.12Å
203	Q	72.9	Confident	82.9	Confident	69 Å²	69	32.4 Å²	32.4	32%	0.322	18%	0.178	S	C	.	.	S	Bend	trans	-131.1	-117	-172.8	-67.3	179.3	-28.5	0	0	110.4	F167 M168 H198 G200 R264	F167-Q203 VanDerWaalsContact CB-O 3.25Å; F167-Q203 WeakPolarHBondContact CB-O 3.29Å; M168-Q203 PolarHBondContact N-O 2.89Å; H198-Q203 WeakPolarHBondContact O-CB 3.29Å; H198-Q203 PolarHBondContact O-OE1 3.47Å; G200-Q203 CarbonylContact O-C 3.53Å; G200-Q203 PolarHBondContact O-N 3.29Å; Q203-R264 VanDerWaalsContact O-CZ 3.3Å; Q203-R264 PolarHBondContact O-NH1 3.12Å; Q203-R264 PolarHBondContact O-NH2 3.27Å
204	I	82.3	Confident	82.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.2	-179.9	-54.7	178.9	0	0	0	110.5	M168 I170 F197 H198 V199 G200 V206 F355	M168-I204 HydrophobicContact CB-CG1 4.42Å; M168-I204 WeakPolarHBondContact O-CA 3.24Å; I170-I204 HydrophobicContact CD1-CG2 3.73Å; I170-I204 HydrophobicContact CG1-CG2 3.97Å; F197-I204 HydrophobicContact CB-CD1 4.14Å; F197-I204 HydrophobicContact CD1-CD1 4.27Å; F197-I204 HydrophobicContact CG-CD1 4.42Å; H198-I204 PolarHBondContact O-N 2.84Å; V199-I204 WeakPolarHBondContact CA-O 2.87Å; G200-I204 PolarHBondContact N-O 2.88Å; I204-V206 HydrophobicContact CG2-CG2 3.88Å; I204-F355 HydrophobicContact CD1-CE1 4.43Å
205	Q	87.4	Confident	83	Confident	24 Å²	24	41.4 Å²	41.4	11%	0.112	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.6	165.5	-77.2	-176.5	-21.9	0	0	109.1	M168 I170 L221 G262 R264	M168-Q205 PolarHBondContact O-N 3.44Å; I170-Q205 PolarHBondContact N-O 2.68Å; Q205-L221 HydrophobicContact CB-CB 4.21Å; Q205-L221 HydrophobicContact CB-CD2 4.02Å; Q205-L221 WeakPolarHBondContact CB-O 3.37Å; Q205-L221 WeakPolarHBondContact CG-O 3.21Å; Q205-L221 VanDerWaalsContact O-CD2 3.25Å; Q205-L221 WeakPolarHBondContact O-CD2 3.17Å; Q205-G262 PolarHBondContact OE1-O 2.99Å; Q205-R264 VanDerWaalsContact OE1-NE 3.09Å
206	V	90.8	Very high	83.3	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.6	-176.8	-171.2	0	0	0	0	110.8	I170 I172 L194 F197 V199 I204 F219	I170-V206 HydrophobicContact CB-CG2 4.42Å; I170-V206 CarbonylContact O-C 3.45Å; I170-V206 VanDerWaalsContact O-CA 3.28Å; I170-V206 WeakPolarHBondContact O-CA 3.34Å; I172-V206 HydrophobicContact CD1-CG1 4.21Å; I172-V206 HydrophobicContact CG1-CG1 4.38Å; L194-V206 HydrophobicContact CD2-CB 4.13Å; L194-V206 HydrophobicContact CD2-CG1 3.7Å; L194-V206 HydrophobicContact CD2-CG2 4.12Å; F197-V206 HydrophobicContact CD2-CG2 4.21Å; V199-V206 HydrophobicContact CG2-CG2 4.12Å; I204-V206 HydrophobicContact CG2-CG2 3.88Å; V206-F219 WeakPolarHBondContact O-CE2 3.27Å
207	G	92.1	Very high	83.9	Confident	2 Å²	2	36.7 Å²	36.7	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.9	169.7	0	0	0	0	0	110.4	I170 V171 I172 F219	I170-G207 PolarHBondContact O-N 2.66Å; V171-G207 CarbonylContact C-O 3.08Å; V171-G207 WeakPolarHBondContact CA-O 3.1Å; I172-G207 PolarHBondContact N-O 3.36Å; G207-F219 WeakPolarHBondContact CA-O 3.46Å
208	V	94.2	Very high	84.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.7	179.2	177.9	0	0	0	0	109.5	I172 L174 L190 E218 F219 I237	I172-V208 HydrophobicContact CB-CG2 4.26Å; I172-V208 HydrophobicContact CD1-CG2 4.48Å; I172-V208 WeakPolarHBondContact O-CA 3.34Å; L174-V208 HydrophobicContact CD1-CG1 3.49Å; L174-V208 VanDerWaalsContact CD1-CG1 3.49Å; L174-V208 HydrophobicContact CG-CG1 4.25Å; L190-V208 HydrophobicContact CD1-CG2 4.33Å; L190-V208 HydrophobicContact CD2-CG2 4.36Å; V208-E218 HydrophobicContact CB-CB 4.25Å; V208-E218 HydrophobicContact CG1-CB 4.15Å; V208-E218 HydrophobicContact CG1-CG 4.48Å; V208-E218 PolarHBondContact O-N 3.01Å; V208-F219 HydrophobicContact CB-CD1 4.27Å; V208-F219 HydrophobicContact CB-CE1 3.84Å; V208-F219 HydrophobicContact CB-CE2 4.37Å; V208-F219 HydrophobicContact CB-CZ 3.9Å; V208-F219 HydrophobicContact CG2-CD1 4.46Å; V208-F219 HydrophobicContact CG2-CE1 3.61Å; V208-F219 HydrophobicContact CG2-CE2 3.82Å; V208-F219 HydrophobicContact CG2-CZ 3.23Å; V208-F219 PolarHBondContact N-O 3.42Å; V208-F219 PolarHBondContact O-N 3.05Å; V208-I237 HydrophobicContact CG1-CD1 4.18Å
209	V	93.9	Very high	85.4	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.6	176.2	178.4	0	0	0	0	107.5	V171 I172 V173 L174 V215 V216 A258	V171-V209 HydrophobicContact CG1-CG2 3.98Å; I172-V209 PolarHBondContact O-N 3.26Å; V173-V209 CarbonylContact C-O 3.56Å; V173-V209 WeakPolarHBondContact CA-O 3.37Å; L174-V209 PolarHBondContact N-O 2.92Å; V209-V215 HydrophobicContact CG1-CG1 3.23Å; V209-V216 WeakPolarHBondContact CA-O 3.48Å; V209-A258 HydrophobicContact CG2-CB 3.75Å
210	Q	93.4	Very high	86	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.9	175.2	-167.8	179.5	15.6	0	0	109.2	L174 W183 V215 V216 E218 D238 R240	L174-Q210 HydrophobicContact CB-CG 4.48Å; L174-Q210 CarbonylContact O-C 3.39Å; L174-Q210 VanDerWaalsContact O-CA 3.29Å; L174-Q210 WeakPolarHBondContact O-CA 2.99Å; W183-Q210 HydrophobicContact CH2-CG 4.45Å; Q210-V215 WeakPolarHBondContact O-CA 3.45Å; Q210-V216 PolarHBondContact N-O 2.86Å; Q210-V216 PolarHBondContact O-N 2.79Å; Q210-E218 HydrophobicContact CB-CG 4.23Å; Q210-E218 PolarHBondContact OE1-OE1 2.88Å; Q210-D238 PolarHBondContact NE2-O 2.67Å; Q210-D238 PolarHBondContact OE1-O 2.92Å; Q210-R240 HydrophobicContact CG-CG 4.37Å; Q210-R240 VanDerWaalsContact OE1-CG 3.24Å
211	Y	91.1	Very high	86.8	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	167	-178.7	75	-84.8	0	0	0	112.5	V173 L174 D175 G176 T245 N246 T247 T275	V173-Y211 HydrophobicContact CG1-CD1 3.58Å; V173-Y211 HydrophobicContact CG1-CE1 3.73Å; L174-Y211 VanDerWaalsContact C-CD1 3.45Å; L174-Y211 VanDerWaalsContact C-CE1 3.43Å; L174-Y211 WeakPolarHBondContact O-CD1 3.42Å; L174-Y211 PolarHBondContact O-N 2.88Å; D175-Y211 HydrophobicContact CB-CE1 4.02Å; D175-Y211 HydrophobicContact CB-CE2 4.33Å; D175-Y211 VanDerWaalsContact N-CE1 3.31Å; G176-Y211 WeakPolarHBondContact CA-O 3.23Å; G176-Y211 PolarHBondContact N-O 2.86Å; Y211-T245 HydrophobicContact CE2-CG2 3.83Å; Y211-N246 VanDerWaalsContact CD2-O 3.31Å; Y211-N246 WeakPolarHBondContact CD2-O 3.41Å; Y211-T247 VanDerWaalsContact CE2-CA 3.43Å; Y211-T247 HydrophobicContact CE2-CG2 4.26Å; Y211-T247 WeakPolarHBondContact CE2-OG1 3.36Å; Y211-T247 WeakPolarHBondContact OH-CG2 3.31Å; Y211-T247 PolarHBondContact OH-OG1 2.98Å; Y211-T247 VanDerWaalsContact OH-OG1 3.09Å; Y211-T275 VanDerWaalsContact OH-CB 3.28Å; Y211-T275 WeakPolarHBondContact OH-CB 2.99Å; Y211-T275 PolarHBondContact OH-OG1 3.22Å
212	G	86.5	Confident	87.5	Confident	3 Å²	3	34.6 Å²	34.6	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	179	-120	-176.6	0	0	0	0	0	106.7	K214 E244 N246	G212-K214 VanDerWaalsContact C-N 3.31Å; G212-K214 PolarHBondContact N-O 3.03Å; G212-E244 CarbonylContact C-O 3.57Å; G212-E244 WeakPolarHBondContact CA-O 2.95Å; G212-N246 WeakPolarHBondContact O-CB 3.34Å; G212-N246 PolarHBondContact O-N 2.95Å
213	E	82.8	Confident	88.4	Confident	109 Å²	109	35.4 Å²	35.4	51%	0.509	18%	0.178	S	C	.	.	S	Bend	trans	-68.2	-32.5	165.3	-166.9	-168.4	152.1	0	0	111.7	E244	E213-E244 PolarHBondContact N-O 2.77Å
214	K	85.4	Confident	89	Confident	156 Å²	156	35.2 Å²	35.2	68%	0.678	18%	0.175	S	C	*	.	S	Bend	trans	-132.4	155.5	179.3	-65.4	176.5	-174.5	166.4	0	110.8	G212	G212-K214 VanDerWaalsContact C-N 3.31Å; G212-K214 PolarHBondContact N-O 3.03Å
215	V	89.9	Confident	88.9	Confident	34 Å²	34	42.4 Å²	42.4	21%	0.206	21%	0.206	C	C	.	.			trans	-101.3	132	177.6	-172.8	0	0	0	0	111	V209 Q210 L249 T253	V209-V215 HydrophobicContact CG1-CG1 3.23Å; Q210-V215 WeakPolarHBondContact O-CA 3.45Å; V215-L249 HydrophobicContact CG2-CB 4.46Å; V215-L249 HydrophobicContact CG2-CD2 3.98Å; V215-L249 HydrophobicContact CG2-CG 3.74Å; V215-T253 HydrophobicContact CB-CG2 4.23Å; V215-T253 HydrophobicContact CG1-CG2 3.63Å
216	V	91.3	Very high	88.7	Confident	48 Å²	48	42.9 Å²	42.9	29%	0.291	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137	179.1	-177.9	0	0	0	0	110.1	V209 Q210	V209-V216 WeakPolarHBondContact CA-O 3.48Å; Q210-V216 PolarHBondContact N-O 2.86Å; Q210-V216 PolarHBondContact O-N 2.79Å
217	H	90.6	Very high	88.4	Confident	50 Å²	50	44.2 Å²	44.2	23%	0.231	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	109.4	170.9	-66.8	-99.4	0	0	0	109	Q257	H217-Q257 PolarHBondContact NE2-OE1 3.4Å
218	E	91.8	Very high	88.1	Confident	12 Å²	12	50.8 Å²	50.8	6%	0.056	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-39.5	178.7	-73.8	-60.8	138.2	0	0	111.3	V208 Q210 R233 I237 R240	V208-E218 HydrophobicContact CB-CB 4.25Å; V208-E218 HydrophobicContact CG1-CB 4.15Å; V208-E218 HydrophobicContact CG1-CG 4.48Å; V208-E218 PolarHBondContact O-N 3.01Å; Q210-E218 HydrophobicContact CB-CG 4.23Å; Q210-E218 PolarHBondContact OE1-OE1 2.88Å; E218-R233 PolarHBondContact O-NE 3.14Å; E218-R233 PolarHBondContact O-NH2 3.02Å; E218-R233 IonicContact OE2-CZ 3.55Å; E218-R233 IonicContact OE2-NH1 3.6Å; E218-R233 IonicContact OE2-NH2 2.69Å; E218-R233 PolarHBondContact OE2-NH2 3.46Å; E218-I237 HydrophobicContact CB-CD1 4.06Å; E218-I237 HydrophobicContact CB-CG1 4.34Å; E218-I237 HydrophobicContact CG-CD1 4.22Å; E218-I237 HydrophobicContact CG-CG1 4.29Å; E218-I237 HydrophobicContact CG-CG2 3.92Å; E218-R240 IonicContact OE1-CZ 3.46Å; E218-R240 IonicContact OE1-NE 3.81Å; E218-R240 PolarHBondContact OE1-NE 3.36Å; E218-R240 IonicContact OE1-NH2 2.78Å; E218-R240 PolarHBondContact OE1-NH2 2.71Å; E218-R240 IonicContact OE2-NH2 3.96Å
219	F	92.1	Very high	87.7	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.022	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	157.4	164.7	55.7	-92.9	0	0	0	111.5	V206 G207 V208 Y224 V230 R233 I237	V206-F219 WeakPolarHBondContact O-CE2 3.27Å; G207-F219 WeakPolarHBondContact CA-O 3.46Å; V208-F219 HydrophobicContact CB-CD1 4.27Å; V208-F219 HydrophobicContact CB-CE1 3.84Å; V208-F219 HydrophobicContact CB-CE2 4.37Å; V208-F219 HydrophobicContact CB-CZ 3.9Å; V208-F219 HydrophobicContact CG2-CD1 4.46Å; V208-F219 HydrophobicContact CG2-CE1 3.61Å; V208-F219 HydrophobicContact CG2-CE2 3.82Å; V208-F219 HydrophobicContact CG2-CZ 3.23Å; V208-F219 PolarHBondContact N-O 3.42Å; V208-F219 PolarHBondContact O-N 3.05Å; F219-Y224 HydrophobicContact CB-CD2 4.35Å; F219-Y224 HydrophobicContact CB-CE2 3.65Å; F219-Y224 HydrophobicContact CD1-CE2 4.34Å; F219-Y224 HydrophobicContact CD2-CD2 4.01Å; F219-Y224 HydrophobicContact CD2-CE2 4.05Å; F219-Y224 HydrophobicContact CG-CD2 4.22Å; F219-Y224 AromaticContact CG-CE2 3.77Å; F219-Y224 HydrophobicContact CG-CE2 3.77Å; F219-V230 HydrophobicContact CE2-CG1 3.76Å; F219-V230 HydrophobicContact CZ-CG1 3.61Å; F219-R233 HydrophobicContact CB-CG 4.5Å; F219-R233 HydrophobicContact CD1-CB 4.39Å; F219-R233 HydrophobicContact CD1-CG 3.52Å; F219-R233 HydrophobicContact CE1-CG 4Å; F219-R233 HydrophobicContact CG-CG 4.25Å; F219-I237 HydrophobicContact CE1-CD1 4.12Å
220	K	91.5	Very high	87.4	Confident	82 Å²	82	55.2 Å²	55.2	36%	0.357	27%	0.271	S	S	.	.			trans	-99.2	163	-173	-49.8	172.8	-172.9	-163.4	0	111.6	S222 D223 Q261	K220-S222 PolarHBondContact O-N 2.76Å; K220-S222 VanDerWaalsContact O-N 3.1Å; K220-D223 WeakPolarHBondContact CB-OD2 3.45Å; K220-D223 PolarHBondContact N-OD2 2.94Å; K220-D223 PolarHBondContact O-N 3.27Å; K220-D223 VanDerWaalsContact O-N 3.13Å; K220-Q261 HydrophobicContact CD-CB 4.25Å
221	L	87.7	Confident	87.2	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30	-178.5	-71.9	165.9	0	0	0	113.9	D169 I170 V171 Q205 F259	D169-L221 HydrophobicContact CB-CD1 3.98Å; D169-L221 HydrophobicContact CB-CD2 3.99Å; I170-L221 WeakPolarHBondContact O-CD2 3.36Å; V171-L221 HydrophobicContact CG2-CD1 4.24Å; V171-L221 HydrophobicContact CG2-CD2 4.27Å; V171-L221 HydrophobicContact CG2-CG 4.35Å; Q205-L221 HydrophobicContact CB-CB 4.21Å; Q205-L221 HydrophobicContact CB-CD2 4.02Å; Q205-L221 WeakPolarHBondContact CB-O 3.37Å; Q205-L221 WeakPolarHBondContact CG-O 3.21Å; Q205-L221 VanDerWaalsContact O-CD2 3.25Å; Q205-L221 WeakPolarHBondContact O-CD2 3.17Å; L221-F259 HydrophobicContact CD1-CD1 4.33Å
222	S	83.4	Confident	87.1	Confident	63 Å²	63	63.5 Å²	63.5	44%	0.441	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.4	-176.8	56.8	0	0	0	0	115.2	K220	K220-S222 PolarHBondContact O-N 2.76Å; K220-S222 VanDerWaalsContact O-N 3.1Å
223	D	85.3	Confident	87.3	Confident	76 Å²	76	66.1 Å²	66.1	41%	0.406	32%	0.317	S	S	.	.	S	Bend	trans	-75.5	-29.4	-166.8	-69.8	-9.1	0	0	0	112.8	K220	K220-D223 WeakPolarHBondContact CB-OD2 3.45Å; K220-D223 PolarHBondContact N-OD2 2.94Å; K220-D223 PolarHBondContact O-N 3.27Å; K220-D223 VanDerWaalsContact O-N 3.13Å
224	Y	86.3	Confident	87.5	Confident	65 Å²	65	60.9 Å²	60.9	26%	0.255	29%	0.293	S	S	.	.			trans	-130.7	148.8	-175.3	-58.6	-66	0	0	0	112.1	F219 E229 V230 R233	F219-Y224 HydrophobicContact CB-CD2 4.35Å; F219-Y224 HydrophobicContact CB-CE2 3.65Å; F219-Y224 HydrophobicContact CD1-CE2 4.34Å; F219-Y224 HydrophobicContact CD2-CD2 4.01Å; F219-Y224 HydrophobicContact CD2-CE2 4.05Å; F219-Y224 HydrophobicContact CG-CD2 4.22Å; F219-Y224 AromaticContact CG-CE2 3.77Å; F219-Y224 HydrophobicContact CG-CE2 3.77Å; Y224-E229 HydrophobicContact CD1-CB 3.69Å; Y224-E229 HydrophobicContact CG-CB 4.16Å; Y224-V230 VanDerWaalsContact CB-CG2 3.46Å; Y224-V230 HydrophobicContact CD2-CG2 4.11Å; Y224-V230 HydrophobicContact CG-CG2 4.05Å; Y224-R233 HydrophobicContact CE2-CB 3.87Å; Y224-R233 HydrophobicContact CE2-CG 3.86Å; Y224-R233 WeakPolarHBondContact OH-CD 3.47Å; Y224-R233 WeakPolarHBondContact OH-CG 3.44Å
225	K	79.8	Confident	87.7	Confident	151 Å²	151	61 Å²	61	66%	0.657	29%	0.289	S	S	*	.	S	Bend	trans	-117.5	-5.7	-173.8	-66.2	-179	-176.6	174	0	114.2	E229	K225-E229 PolarHBondContact N-OE2 3.03Å; K225-E229 VanDerWaalsContact N-OE2 3.09Å
226	S	82.7	Confident	87.6	Confident	33 Å²	33	62.2 Å²	62.2	23%	0.231	30%	0.299	C	S	.	.	S	Bend	trans	-139.2	160.4	177.1	90.6	0	0	0	0	112.2	E228 E229 V230	S226-E228 VanDerWaalsContact C-N 3.3Å; S226-E228 WeakPolarHBondContact CB-OE2 3.47Å; S226-E228 PolarHBondContact O-N 2.86Å; S226-E228 PolarHBondContact OG-N 2.89Å; S226-E228 PolarHBondContact OG-OE2 2.85Å; S226-E229 PolarHBondContact O-N 2.98Å; S226-V230 WeakPolarHBondContact O-CG2 3.5Å; S226-V230 PolarHBondContact O-N 3.02Å
227	V	84.9	Confident	87.5	Confident	33 Å²	33	60 Å²	60	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-39.4	179.7	178.9	0	0	0	0	111	F197 V199 E229 V230 V231	F197-V227 WeakPolarHBondContact O-CG2 3.49Å; V199-V227 HydrophobicContact CB-CG2 3.85Å; V199-V227 HydrophobicContact CG2-CG2 4Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 3.15Å; V227-V230 PolarHBondContact O-N 3.34Å; V227-V231 HydrophobicContact CG1-CG2 3.99Å; V227-V231 WeakPolarHBondContact O-CB 3.34Å; V227-V231 VanDerWaalsContact O-CG2 3.27Å; V227-V231 WeakPolarHBondContact O-CG2 3.4Å; V227-V231 PolarHBondContact O-N 3.46Å
228	E	85.8	Confident	87.3	Confident	139 Å²	139	63.5 Å²	63.5	65%	0.65	31%	0.305	S	S	*	.	H	α-helix	trans	-62.5	-39.6	-178	-57.7	76.1	-164.5	0	0	111.9	S226 K232	S226-E228 VanDerWaalsContact C-N 3.3Å; S226-E228 WeakPolarHBondContact CB-OE2 3.47Å; S226-E228 PolarHBondContact O-N 2.86Å; S226-E228 PolarHBondContact OG-N 2.89Å; S226-E228 PolarHBondContact OG-OE2 2.85Å; E228-K232 VanDerWaalsContact O-CB 3.3Å; E228-K232 WeakPolarHBondContact O-CB 3.33Å; E228-K232 PolarHBondContact O-N 3.44Å
229	E	86.4	Confident	87.2	Confident	93 Å²	93	65.8 Å²	65.8	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-67.8	-45.5	177.9	-66.9	179.6	161.7	0	0	111.7	Y224 K225 S226 V227 K232 R233	Y224-E229 HydrophobicContact CD1-CB 3.69Å; Y224-E229 HydrophobicContact CG-CB 4.16Å; K225-E229 PolarHBondContact N-OE2 3.03Å; K225-E229 VanDerWaalsContact N-OE2 3.09Å; S226-E229 PolarHBondContact O-N 2.98Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 3.15Å; E229-K232 PolarHBondContact O-N 2.02Å; E229-R233 PolarHBondContact O-N 2.87Å
230	V	87.1	Confident	86.8	Confident	2 Å²	2	72.6 Å²	72.6	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-65.3	-44.8	179.4	-175.6	0	0	0	0	110.8	L194 V199 F219 Y224 S226 V227 K232 R233 A234	L194-V230 HydrophobicContact CD1-CG1 3.79Å; L194-V230 HydrophobicContact CD2-CG1 3.79Å; L194-V230 HydrophobicContact CG-CG1 4.34Å; V199-V230 HydrophobicContact CG1-CG2 4.04Å; F219-V230 HydrophobicContact CE2-CG1 3.76Å; F219-V230 HydrophobicContact CZ-CG1 3.61Å; Y224-V230 VanDerWaalsContact CB-CG2 3.46Å; Y224-V230 HydrophobicContact CD2-CG2 4.11Å; Y224-V230 HydrophobicContact CG-CG2 4.05Å; S226-V230 WeakPolarHBondContact O-CG2 3.5Å; S226-V230 PolarHBondContact O-N 3.02Å; V227-V230 PolarHBondContact O-N 3.34Å; V230-K232 VanDerWaalsContact C-N 3.31Å; V230-K232 PolarHBondContact O-N 2.98Å; V230-R233 PolarHBondContact O-N 3.17Å; V230-A234 WeakPolarHBondContact O-CB 3.33Å; V230-A234 PolarHBondContact O-N 2.52Å
231	V	89.3	Confident	86.3	Confident	10 Å²	10	69.7 Å²	69.7	6%	0.061	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-38.2	177.4	169.6	0	0	0	0	111.2	I191 L194 Q195 V227 R233 A234 R235	I191-V231 HydrophobicContact CG2-CG1 3.94Å; L194-V231 HydrophobicContact CB-CG2 4.07Å; Q195-V231 HydrophobicContact CG-CG2 3.87Å; V227-V231 HydrophobicContact CG1-CG2 3.99Å; V227-V231 WeakPolarHBondContact O-CB 3.34Å; V227-V231 VanDerWaalsContact O-CG2 3.27Å; V227-V231 WeakPolarHBondContact O-CG2 3.4Å; V227-V231 PolarHBondContact O-N 3.46Å; V231-R233 VanDerWaalsContact C-N 3.33Å; V231-R233 PolarHBondContact O-N 3.5Å; V231-A234 WeakPolarHBondContact O-CB 3.34Å; V231-A234 PolarHBondContact O-N 3.07Å; V231-R235 WeakPolarHBondContact O-CG 3.37Å; V231-R235 PolarHBondContact O-N 3.32Å; V231-R235 VanDerWaalsContact O-N 3.17Å
232	K	88.9	Confident	85.9	Confident	167 Å²	167	70.2 Å²	70.2	73%	0.726	34%	0.341	S	S	*	.	H	α-helix	trans	-62.4	-41.1	174.8	-175	-178.1	178.6	-175.4	0	111.6	E228 E229 V230	E228-K232 VanDerWaalsContact O-CB 3.3Å; E228-K232 WeakPolarHBondContact O-CB 3.33Å; E228-K232 PolarHBondContact O-N 3.44Å; E229-K232 PolarHBondContact O-N 2.02Å; V230-K232 VanDerWaalsContact C-N 3.31Å; V230-K232 PolarHBondContact O-N 2.98Å
233	R	90	Very high	85.6	Confident	57 Å²	57	76 Å²	76	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-69.2	-42	176.2	-179.2	62.1	-178.1	96.6	10.4	111.9	E218 F219 Y224 E229 V230 V231 R235 S236	E218-R233 PolarHBondContact O-NE 3.14Å; E218-R233 PolarHBondContact O-NH2 3.02Å; E218-R233 IonicContact OE2-CZ 3.55Å; E218-R233 IonicContact OE2-NH1 3.6Å; E218-R233 IonicContact OE2-NH2 2.69Å; E218-R233 PolarHBondContact OE2-NH2 3.46Å; F219-R233 HydrophobicContact CB-CG 4.5Å; F219-R233 HydrophobicContact CD1-CB 4.39Å; F219-R233 HydrophobicContact CD1-CG 3.52Å; F219-R233 HydrophobicContact CE1-CG 4Å; F219-R233 HydrophobicContact CG-CG 4.25Å; Y224-R233 HydrophobicContact CE2-CB 3.87Å; Y224-R233 HydrophobicContact CE2-CG 3.86Å; Y224-R233 WeakPolarHBondContact OH-CD 3.47Å; Y224-R233 WeakPolarHBondContact OH-CG 3.44Å; E229-R233 PolarHBondContact O-N 2.87Å; V230-R233 PolarHBondContact O-N 3.17Å; V231-R233 VanDerWaalsContact C-N 3.33Å; V231-R233 PolarHBondContact O-N 3.5Å; R233-R235 PolarHBondContact O-N 3.24Å; R233-S236 PolarHBondContact NH1-O 2.74Å; R233-S236 PolarHBondContact NH1-OG 2.99Å; R233-S236 PolarHBondContact O-N 3.28Å; R233-S236 PolarHBondContact O-OG 3.36Å
234	A	88.2	Confident	85.4	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-53.6	-40	176	0	0	0	0	0	113	Q187 L190 I191 L194 V230 V231 S236 I237	Q187-A234 PolarHBondContact NE2-O 2.86Å; L190-A234 HydrophobicContact CD2-CB 3.45Å; L190-A234 VanDerWaalsContact CD2-CB 3.45Å; L190-A234 HydrophobicContact CG-CB 4.43Å; I191-A234 HydrophobicContact CG1-CB 4.19Å; L194-A234 HydrophobicContact CD1-CB 3.72Å; V230-A234 WeakPolarHBondContact O-CB 3.33Å; V230-A234 PolarHBondContact O-N 2.52Å; V231-A234 WeakPolarHBondContact O-CB 3.34Å; V231-A234 PolarHBondContact O-N 3.07Å; A234-S236 PolarHBondContact O-N 3.26Å; A234-S236 VanDerWaalsContact O-N 3.1Å; A234-I237 PolarHBondContact O-N 3.13Å
235	R	88	Confident	85.4	Confident	158 Å²	158	73.7 Å²	73.7	60%	0.596	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-8.8	175.4	-74	176	-176.6	-177.2	2.1	115.4	Q187 I191 V231 R233	Q187-R235 VanDerWaalsContact NE2-CA 3.26Å; Q187-R235 PolarHBondContact NE2-O 2.86Å; I191-R235 HydrophobicContact CD1-CG 3.47Å; I191-R235 VanDerWaalsContact CD1-CG 3.47Å; I191-R235 HydrophobicContact CG1-CG 4.08Å; V231-R235 WeakPolarHBondContact O-CG 3.37Å; V231-R235 PolarHBondContact O-N 3.32Å; V231-R235 VanDerWaalsContact O-N 3.17Å; R233-R235 PolarHBondContact O-N 3.24Å
236	S	87.9	Confident	85.9	Confident	59 Å²	59	67.5 Å²	67.5	41%	0.413	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	16.5	-178.6	64	0	0	0	0	113.1	R233 A234	R233-S236 PolarHBondContact NH1-O 2.74Å; R233-S236 PolarHBondContact NH1-OG 2.99Å; R233-S236 PolarHBondContact O-N 3.28Å; R233-S236 PolarHBondContact O-OG 3.36Å; A234-S236 PolarHBondContact O-N 3.26Å; A234-S236 VanDerWaalsContact O-N 3.1Å
237	I	89.6	Confident	86.2	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.015	31%	0.314	C	S	.	.			trans	-88.1	114.5	176.7	-60.7	176.6	0	0	0	108.9	W183 L190 V208 E218 F219 A234	W183-I237 HydrophobicContact CZ2-CG2 4.06Å; W183-I237 PolarHBondContact NE1-O 3.02Å; L190-I237 HydrophobicContact CD2-CD1 3.82Å; V208-I237 HydrophobicContact CG1-CD1 4.18Å; E218-I237 HydrophobicContact CB-CD1 4.06Å; E218-I237 HydrophobicContact CB-CG1 4.34Å; E218-I237 HydrophobicContact CG-CD1 4.22Å; E218-I237 HydrophobicContact CG-CG1 4.29Å; E218-I237 HydrophobicContact CG-CG2 3.92Å; F219-I237 HydrophobicContact CE1-CD1 4.12Å; A234-I237 PolarHBondContact O-N 3.13Å
238	D	87.3	Confident	86.4	Confident	122 Å²	122	64.4 Å²	64.4	65%	0.652	31%	0.305	S	S	*	.			trans	-90.9	150.8	176.4	-61.4	-48.4	0	0	0	111.4	Q210 R240	Q210-D238 PolarHBondContact NE2-O 2.67Å; Q210-D238 PolarHBondContact OE1-O 2.92Å; D238-R240 PolarHBondContact O-N 3.05Å
239	Q	89.1	Confident	86.7	Confident	61 Å²	61	61.5 Å²	61.5	29%	0.285	29%	0.293	S	S	.	.			trans	-65.4	128.8	172.5	-167.3	172.2	16.4	0	0	109.7	G176 S177 I180 W183	G176-Q239 WeakPolarHBondContact O-CG 3.25Å; S177-Q239 PolarHBondContact O-NE2 2.91Å; I180-Q239 PolarHBondContact O-NE2 3.11Å; W183-Q239 HydrophobicContact CB-CB 4.11Å; W183-Q239 HydrophobicContact CD2-CB 3.62Å; W183-Q239 HydrophobicContact CD2-CG 3.96Å; W183-Q239 HydrophobicContact CE3-CB 3.99Å; W183-Q239 HydrophobicContact CE3-CG 3.77Å; W183-Q239 HydrophobicContact CG-CB 3.65Å; W183-Q239 HydrophobicContact CG-CG 4.3Å; W183-Q239 HydrophobicContact CZ3-CG 4.36Å
240	R	84.6	Confident	86.9	Confident	148 Å²	148	57 Å²	57	56%	0.558	27%	0.273	S	S	*	.			trans	-78.7	-30	179.5	-65	-68	-179.6	174.2	-2.4	112.6	Q210 E218 D238	Q210-R240 HydrophobicContact CG-CG 4.37Å; Q210-R240 VanDerWaalsContact OE1-CG 3.24Å; E218-R240 IonicContact OE1-CZ 3.46Å; E218-R240 IonicContact OE1-NE 3.81Å; E218-R240 PolarHBondContact OE1-NE 3.36Å; E218-R240 IonicContact OE1-NH2 2.78Å; E218-R240 PolarHBondContact OE1-NH2 2.71Å; E218-R240 IonicContact OE2-NH2 3.96Å; D238-R240 PolarHBondContact O-N 3.05Å
241	G	79.6	Confident	87.2	Confident	20 Å²	20	57 Å²	57	21%	0.206	27%	0.272	C	S	.	.			trans	71.7	177.9	-174.5	0	0	0	0	0	112.6	G176 N178	G176-G241 VanDerWaalsContact O-CA 3.31Å; G176-G241 WeakPolarHBondContact O-CA 3.48Å; G176-G241 PolarHBondContact O-N 3.3Å; N178-G241 WeakPolarHBondContact OD1-CA 3.46Å
242	G	79.6	Confident	87.3	Confident	15 Å²	15	58.4 Å²	58.4	16%	0.155	28%	0.282	C	S	.	.			trans	148.1	154.6	-178.9	0	0	0	0	0	111.5	N178	N178-G242 WeakPolarHBondContact CB-O 3.46Å; N178-G242 VanDerWaalsContact CG-O 3.31Å; N178-G242 PolarHBondContact N-O 3.1Å; N178-G242 PolarHBondContact ND2-N 3.03Å; N178-G242 PolarHBondContact ND2-O 3.42Å; N178-G242 VanDerWaalsContact ND2-O 3.12Å; N178-G242 PolarHBondContact OD1-N 3.21Å
243	E	76.8	Confident	87.4	Confident	183 Å²	183	51 Å²	51	86%	0.855	25%	0.252	S	S	*	.	S	Bend	trans	-89.2	-12.6	175.7	-64.7	-171.6	172.2	0	0	112.9
244	E	82.8	Confident	87.6	Confident	88 Å²	88	48.3 Å²	48.3	41%	0.411	24%	0.241	S	C	.	.			trans	-118.7	151.7	-179.6	-63.8	-176.1	172.8	0	0	112.3	G212 E213 N246	G212-E244 CarbonylContact C-O 3.57Å; G212-E244 WeakPolarHBondContact CA-O 2.95Å; E213-E244 PolarHBondContact N-O 2.77Å; E244-N246 PolarHBondContact OE2-ND2 3.43Å; E244-N246 VanDerWaalsContact OE2-ND2 3.12Å
245	T	85.8	Confident	87.8	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.037	25%	0.25	C	C	.	.			trans	-119.2	89.2	175.2	-55.5	0	0	0	0	109.3	D175 S177 Y211 T247 S279 H280	D175-T245 WeakPolarHBondContact OD2-CG2 3.31Å; S177-T245 PolarHBondContact OG-OG1 3.22Å; Y211-T245 HydrophobicContact CE2-CG2 3.83Å; T245-T247 PolarHBondContact O-N 3.23Å; T245-S279 WeakPolarHBondContact O-CA 3.32Å; T245-H280 PolarHBondContact N-ND1 3.35Å; T245-H280 PolarHBondContact O-N 3.47Å
246	N	90.2	Very high	87.9	Confident	20 Å²	20	44.7 Å²	44.7	11%	0.107	23%	0.233	C	C	.	.			trans	-92.1	77.2	-178.1	-66.6	-35.7	0	0	0	111.4	Y211 G212 E244 L249 G250 D281	Y211-N246 VanDerWaalsContact CD2-O 3.31Å; Y211-N246 WeakPolarHBondContact CD2-O 3.41Å; G212-N246 WeakPolarHBondContact O-CB 3.34Å; G212-N246 PolarHBondContact O-N 2.95Å; E244-N246 PolarHBondContact OE2-ND2 3.43Å; E244-N246 VanDerWaalsContact OE2-ND2 3.12Å; N246-L249 HydrophobicContact CB-CB 4.07Å; N246-L249 HydrophobicContact CB-CD2 4.44Å; N246-G250 PolarHBondContact O-N 2.95Å; N246-G250 VanDerWaalsContact O-N 3.16Å; N246-D281 WeakPolarHBondContact CA-OD1 3.49Å; N246-D281 WeakPolarHBondContact CA-OD2 3.49Å; N246-D281 WeakPolarHBondContact CB-OD2 3.28Å
247	T	89.1	Confident	88	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-36.5	-175.3	-49.1	0	0	0	0	112.4	Y211 T245 L249 G250 I251 V273 S279 D281 I325	Y211-T247 VanDerWaalsContact CE2-CA 3.43Å; Y211-T247 HydrophobicContact CE2-CG2 4.26Å; Y211-T247 WeakPolarHBondContact CE2-OG1 3.36Å; Y211-T247 WeakPolarHBondContact OH-CG2 3.31Å; Y211-T247 PolarHBondContact OH-OG1 2.98Å; Y211-T247 VanDerWaalsContact OH-OG1 3.09Å; T245-T247 PolarHBondContact O-N 3.23Å; T247-L249 VanDerWaalsContact C-N 3.32Å; T247-L249 PolarHBondContact O-N 3.2Å; T247-G250 PolarHBondContact O-N 3.12Å; T247-I251 HydrophobicContact CG2-CD1 4.02Å; T247-I251 HydrophobicContact CG2-CG1 4.42Å; T247-I251 WeakPolarHBondContact O-CG1 3.44Å; T247-I251 PolarHBondContact O-N 2.88Å; T247-V273 HydrophobicContact CG2-CG1 4.09Å; T247-S279 WeakPolarHBondContact CA-OG 3.43Å; T247-S279 WeakPolarHBondContact CB-OG 3.4Å; T247-S279 PolarHBondContact N-OG 2.98Å; T247-S279 PolarHBondContact OG1-OG 3.35Å; T247-D281 PolarHBondContact N-OD1 3.19Å; T247-D281 VanDerWaalsContact N-OD1 3.16Å; T247-I325 HydrophobicContact CG2-CD1 4.03Å
248	A	89.3	Confident	88	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-40.6	178.4	0	0	0	0	0	111.1	I251 S252 D281 D284 L285 A288	A248-I251 PolarHBondContact O-N 3.45Å; A248-S252 VanDerWaalsContact O-CB 3.26Å; A248-S252 WeakPolarHBondContact O-CB 3.33Å; A248-S252 PolarHBondContact O-N 3.09Å; A248-D281 WeakPolarHBondContact CA-OD2 3.49Å; A248-D281 HydrophobicContact CB-CB 4.4Å; A248-D281 VanDerWaalsContact CB-CG 3.47Å; A248-D281 VanDerWaalsContact CB-OD2 3.31Å; A248-D281 WeakPolarHBondContact CB-OD2 3.43Å; A248-D281 PolarHBondContact N-OD1 3.42Å; A248-D281 VanDerWaalsContact N-OD1 3.07Å; A248-D281 PolarHBondContact N-OD2 3.39Å; A248-D281 VanDerWaalsContact N-OD2 3.17Å; A248-D284 HydrophobicContact CB-CB 4.06Å; A248-L285 HydrophobicContact CB-CB 4.05Å; A248-L285 HydrophobicContact CB-CD1 4.02Å; A248-A288 HydrophobicContact CB-CB 4.46Å
249	L	90.6	Very high	88.2	Confident	77 Å²	77	40.7 Å²	40.7	40%	0.403	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-41.1	173.3	-175.8	63.5	0	0	0	112.1	V215 N246 T247 T253 D281	V215-L249 HydrophobicContact CG2-CB 4.46Å; V215-L249 HydrophobicContact CG2-CD2 3.98Å; V215-L249 HydrophobicContact CG2-CG 3.74Å; N246-L249 HydrophobicContact CB-CB 4.07Å; N246-L249 HydrophobicContact CB-CD2 4.44Å; T247-L249 VanDerWaalsContact C-N 3.32Å; T247-L249 PolarHBondContact O-N 3.2Å; L249-T253 VanDerWaalsContact O-CB 3.29Å; L249-T253 WeakPolarHBondContact O-CB 3.5Å; L249-T253 PolarHBondContact O-N 3.38Å; L249-T253 PolarHBondContact O-OG1 2.64Å; L249-D281 PolarHBondContact N-OD2 3.34Å
250	G	91.1	Very high	88.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-51.6	174.8	0	0	0	0	0	112.5	N246 T247 T253 A254	N246-G250 PolarHBondContact O-N 2.95Å; N246-G250 VanDerWaalsContact O-N 3.16Å; T247-G250 PolarHBondContact O-N 3.12Å; G250-T253 PolarHBondContact O-N 3.12Å; G250-A254 WeakPolarHBondContact O-CB 3.31Å; G250-A254 PolarHBondContact O-N 3.43Å
251	I	93	Very high	87.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-46.8	178.1	-67.7	170	0	0	0	110.9	T247 A248 T253 A254 R255 M271 V273 L285 A288 I325	T247-I251 HydrophobicContact CG2-CD1 4.02Å; T247-I251 HydrophobicContact CG2-CG1 4.42Å; T247-I251 WeakPolarHBondContact O-CG1 3.44Å; T247-I251 PolarHBondContact O-N 2.88Å; A248-I251 PolarHBondContact O-N 3.45Å; I251-T253 VanDerWaalsContact C-N 3.32Å; I251-T253 PolarHBondContact O-N 2.95Å; I251-A254 PolarHBondContact O-N 3.33Å; I251-R255 WeakPolarHBondContact O-CB 3.31Å; I251-R255 PolarHBondContact O-N 3.36Å; I251-M271 HydrophobicContact CB-SD 4.34Å; I251-M271 HydrophobicContact CG1-SD 4.19Å; I251-M271 HydrophobicContact CG2-CE 4.2Å; I251-M271 HydrophobicContact CG2-SD 3.94Å; I251-V273 HydrophobicContact CD1-CG2 4.33Å; I251-V273 HydrophobicContact CG1-CG2 4.07Å; I251-L285 HydrophobicContact CD1-CD1 3.95Å; I251-A288 HydrophobicContact CB-CB 4.47Å; I251-A288 HydrophobicContact CG2-CB 4.14Å; I251-I325 HydrophobicContact CD1-CD1 4.28Å; I251-I325 HydrophobicContact CD1-CG1 4.32Å; I251-I325 HydrophobicContact CD1-CG2 3.79Å
252	S	91.6	Very high	87.7	Confident	40 Å²	40	41.6 Å²	41.6	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-62.6	-38.9	179.8	-174.9	0	0	0	0	112.1	A248 S256	A248-S252 VanDerWaalsContact O-CB 3.26Å; A248-S252 WeakPolarHBondContact O-CB 3.33Å; A248-S252 PolarHBondContact O-N 3.09Å; S252-S256 VanDerWaalsContact O-CB 3.23Å; S252-S256 WeakPolarHBondContact O-CB 3.43Å; S252-S256 PolarHBondContact O-N 3.01Å; S252-S256 PolarHBondContact O-OG 3.21Å
253	T	92.3	Very high	87.8	Confident	13 Å²	13	42.3 Å²	42.3	8%	0.08	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-40.8	176.4	-58.4	0	0	0	0	111.7	V215 L249 G250 I251 Q257 A258	V215-T253 HydrophobicContact CB-CG2 4.23Å; V215-T253 HydrophobicContact CG1-CG2 3.63Å; L249-T253 VanDerWaalsContact O-CB 3.29Å; L249-T253 WeakPolarHBondContact O-CB 3.5Å; L249-T253 PolarHBondContact O-N 3.38Å; L249-T253 PolarHBondContact O-OG1 2.64Å; G250-T253 PolarHBondContact O-N 3.12Å; I251-T253 VanDerWaalsContact C-N 3.32Å; I251-T253 PolarHBondContact O-N 2.95Å; T253-Q257 HydrophobicContact CG2-CB 4.4Å; T253-Q257 HydrophobicContact CG2-CG 4.37Å; T253-Q257 WeakPolarHBondContact O-CA 3.44Å; T253-Q257 VanDerWaalsContact O-CB 3.32Å; T253-Q257 WeakPolarHBondContact O-CB 3.47Å; T253-Q257 PolarHBondContact O-N 3.14Å; T253-A258 PolarHBondContact O-N 3.09Å
254	A	92.5	Very high	88.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-60.4	-47.2	174.8	0	0	0	0	0	111.4	V171 V173 G250 I251 A258 F259 M271	V171-A254 HydrophobicContact CG1-CB 3.97Å; V173-A254 HydrophobicContact CG2-CB 3.5Å; V173-A254 VanDerWaalsContact CG2-CB 3.5Å; G250-A254 WeakPolarHBondContact O-CB 3.31Å; G250-A254 PolarHBondContact O-N 3.43Å; I251-A254 PolarHBondContact O-N 3.33Å; A254-A258 WeakPolarHBondContact O-CB 3.38Å; A254-A258 PolarHBondContact O-N 2.98Å; A254-A258 VanDerWaalsContact O-N 3.14Å; A254-F259 VanDerWaalsContact O-CD2 3.26Å; A254-F259 WeakPolarHBondContact O-CD2 3.43Å; A254-F259 PolarHBondContact O-N 2.82Å; A254-M271 HydrophobicContact CB-CE 3.68Å; A254-M271 HydrophobicContact CB-SD 4.3Å
255	R	93.1	Very high	87.7	Confident	45 Å²	45	43.5 Å²	43.5	17%	0.17	22%	0.215	C	C	.	.	I	π-helix	trans	-61.9	-54.8	175.5	-177.8	-168.2	73.2	107	-15.9	112.8	I251 M271 D291 D295 I297	I251-R255 WeakPolarHBondContact O-CB 3.31Å; I251-R255 PolarHBondContact O-N 3.36Å; R255-M271 HydrophobicContact CB-CE 4.38Å; R255-D291 IonicContact CZ-OD2 3.36Å; R255-D291 IonicContact NH1-OD2 2.73Å; R255-D291 IonicContact NH2-OD2 3.25Å; R255-D291 PolarHBondContact NH2-OD2 3.26Å; R255-D295 WeakPolarHBondContact CD-OD2 3.13Å; R255-D295 WeakPolarHBondContact CG-OD2 3.38Å; R255-D295 IonicContact CZ-OD2 3.5Å; R255-D295 IonicContact NE-OD2 3.66Å; R255-D295 IonicContact NH1-OD2 2.71Å; R255-D295 PolarHBondContact NH1-OD2 2.95Å; R255-I297 HydrophobicContact CB-CD1 4.1Å; R255-I297 HydrophobicContact CG-CD1 3.71Å
256	S	89.6	Confident	87	Confident	36 Å²	36	46.4 Å²	46.4	25%	0.252	25%	0.246	S	C	.	.	I	π-helix	trans	-80.5	-25.7	-168.3	65.3	0	0	0	0	113.7	S252 K260	S252-S256 VanDerWaalsContact O-CB 3.23Å; S252-S256 WeakPolarHBondContact O-CB 3.43Å; S252-S256 PolarHBondContact O-N 3.01Å; S252-S256 PolarHBondContact O-OG 3.21Å; S256-K260 WeakPolarHBondContact O-CD 3.43Å; S256-K260 WeakPolarHBondContact O-CE 3.31Å
257	Q	91.1	Very high	86.3	Confident	85 Å²	85	46 Å²	46	40%	0.397	25%	0.246	S	C	.	.	I	π-helix	trans	-119.2	-57	-177	-54.7	-177.2	19.9	0	0	112.7	H217 T253 F259 K260 Q261	H217-Q257 PolarHBondContact NE2-OE1 3.4Å; T253-Q257 HydrophobicContact CG2-CB 4.4Å; T253-Q257 HydrophobicContact CG2-CG 4.37Å; T253-Q257 WeakPolarHBondContact O-CA 3.44Å; T253-Q257 VanDerWaalsContact O-CB 3.32Å; T253-Q257 WeakPolarHBondContact O-CB 3.47Å; T253-Q257 PolarHBondContact O-N 3.14Å; Q257-F259 PolarHBondContact O-N 3.18Å; Q257-K260 CarbonylContact O-C 3.58Å; Q257-K260 WeakPolarHBondContact O-CA 3.29Å; Q257-K260 PolarHBondContact O-N 2.95Å; Q257-Q261 WeakPolarHBondContact O-CG 3.36Å; Q257-Q261 PolarHBondContact O-N 3.48Å
258	A	89.5	Confident	86	Confident	7 Å²	7	48.7 Å²	48.7	6%	0.058	26%	0.258	C	S	.	.	I	π-helix	trans	-62.4	-45.4	-169.6	0	0	0	0	0	112.6	V171 V209 T253 A254 K260 Q261	V171-A258 HydrophobicContact CG1-CB 3.79Å; V171-A258 HydrophobicContact CG2-CB 4.04Å; V209-A258 HydrophobicContact CG2-CB 3.75Å; T253-A258 PolarHBondContact O-N 3.09Å; A254-A258 WeakPolarHBondContact O-CB 3.38Å; A254-A258 PolarHBondContact O-N 2.98Å; A254-A258 VanDerWaalsContact O-N 3.14Å; A258-K260 PolarHBondContact O-N 2.94Å; A258-Q261 PolarHBondContact O-N 3.06Å
259	F	90.2	Very high	85.9	Confident	9 Å²	9	51.7 Å²	51.7	4%	0.039	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.2	174.4	-76.1	-69.8	0	0	0	114.6	D169 V171 L221 A254 Q257 G263 K269 V270 M271 I297	D169-F259 HydrophobicContact CB-CD1 4.41Å; D169-F259 HydrophobicContact CB-CE1 4.39Å; D169-F259 WeakPolarHBondContact O-CE1 2.88Å; V171-F259 HydrophobicContact CB-CD2 4.49Å; V171-F259 HydrophobicContact CB-CE1 4.13Å; V171-F259 HydrophobicContact CB-CE2 3.88Å; V171-F259 HydrophobicContact CB-CZ 3.68Å; V171-F259 HydrophobicContact CG2-CD1 3.79Å; V171-F259 HydrophobicContact CG2-CD2 4.08Å; V171-F259 HydrophobicContact CG2-CE1 3.55Å; V171-F259 HydrophobicContact CG2-CE2 3.87Å; V171-F259 HydrophobicContact CG2-CG 4.05Å; V171-F259 HydrophobicContact CG2-CZ 3.61Å; L221-F259 HydrophobicContact CD1-CD1 4.33Å; A254-F259 VanDerWaalsContact O-CD2 3.26Å; A254-F259 WeakPolarHBondContact O-CD2 3.43Å; A254-F259 PolarHBondContact O-N 2.82Å; Q257-F259 PolarHBondContact O-N 3.18Å; F259-G263 WeakPolarHBondContact O-CA 3.47Å; F259-K269 HydrophobicContact CB-CD 4.48Å; F259-K269 HydrophobicContact CD1-CB 3.97Å; F259-K269 HydrophobicContact CD1-CD 4.09Å; F259-K269 HydrophobicContact CD1-CG 3.86Å; F259-K269 HydrophobicContact CE1-CB 3.65Å; F259-K269 HydrophobicContact CE1-CG 4.05Å; F259-K269 HydrophobicContact CG-CD 4.26Å; F259-K269 HydrophobicContact CZ-CB 4.1Å; F259-V270 WeakPolarHBondContact CZ-O 3.05Å; F259-M271 HydrophobicContact CE2-CB 4.29Å; F259-M271 HydrophobicContact CE2-CE 3.9Å; F259-M271 HydrophobicContact CZ-CB 4.33Å; F259-I297 HydrophobicContact CD2-CD1 3.88Å; F259-I297 HydrophobicContact CE2-CD1 3.96Å; F259-I297 HydrophobicContact CE2-CG2 3.99Å; F259-I297 HydrophobicContact CZ-CG2 4.1Å
260	K	86.9	Confident	85.9	Confident	153 Å²	153	48 Å²	48	67%	0.665	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-25.7	175.9	-62.2	-166.3	-169	165.1	0	112.3	S256 Q257 A258 G262	S256-K260 WeakPolarHBondContact O-CD 3.43Å; S256-K260 WeakPolarHBondContact O-CE 3.31Å; Q257-K260 CarbonylContact O-C 3.58Å; Q257-K260 WeakPolarHBondContact O-CA 3.29Å; Q257-K260 PolarHBondContact O-N 2.95Å; A258-K260 PolarHBondContact O-N 2.94Å; K260-G262 PolarHBondContact O-N 3.39Å
261	Q	82.4	Confident	86	Confident	67 Å²	67	48 Å²	48	31%	0.313	25%	0.251	S	S	.	.	S	Bend	trans	-91	87.8	179.7	-66.5	-172.7	27.8	0	0	110.5	K220 Q257 A258	K220-Q261 HydrophobicContact CD-CB 4.25Å; Q257-Q261 WeakPolarHBondContact O-CG 3.36Å; Q257-Q261 PolarHBondContact O-N 3.48Å; A258-Q261 PolarHBondContact O-N 3.06Å
262	G	74.7	Confident	86	Confident	28 Å²	28	48 Å²	48	29%	0.289	25%	0.251	S	S	.	.	S	Bend	trans	94.7	-1.5	-179.7	0	0	0	0	0	114.7	Q205 K260	Q205-G262 PolarHBondContact OE1-O 2.99Å; K260-G262 PolarHBondContact O-N 3.39Å
263	G	80.9	Confident	86.1	Confident	29 Å²	29	46.2 Å²	46.2	30%	0.299	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-70.8	141.1	175.7	0	0	0	0	0	113.6	D169 F259	D169-G263 VanDerWaalsContact OD2-CA 3.26Å; D169-G263 WeakPolarHBondContact OD2-CA 3.38Å; F259-G263 WeakPolarHBondContact O-CA 3.47Å
264	R	82.7	Confident	86.1	Confident	44 Å²	44	45.7 Å²	45.7	17%	0.166	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-94.5	135.6	-172.8	-66.7	173.1	-66.4	173.8	2	111	F167 M168 D169 P201 Q203 Q205 G266 A267	F167-R264 HydrophobicContact CD2-CB 4.3Å; F167-R264 HydrophobicContact CE2-CB 4.37Å; M168-R264 PolarHBondContact O-NH2 3.14Å; D169-R264 IonicContact OD1-CZ 2.76Å; D169-R264 VanDerWaalsContact OD1-CZ 3.25Å; D169-R264 IonicContact OD1-NE 2.76Å; D169-R264 PolarHBondContact OD1-NE 3.29Å; D169-R264 IonicContact OD1-NH2 3.61Å; D169-R264 PolarHBondContact OD1-NH2 3.3Å; D169-R264 PolarHBondContact OD2-N 3.09Å; P201-R264 PolarHBondContact O-NH1 3.29Å; Q203-R264 VanDerWaalsContact O-CZ 3.3Å; Q203-R264 PolarHBondContact O-NH1 3.12Å; Q203-R264 PolarHBondContact O-NH2 3.27Å; Q205-R264 VanDerWaalsContact OE1-NE 3.09Å; R264-G266 PolarHBondContact O-N 3.43Å; R264-A267 HydrophobicContact CB-CB 4Å; R264-A267 WeakPolarHBondContact O-CB 3.5Å; R264-A267 PolarHBondContact O-N 2.91Å
265	R	74.7	Confident	86.1	Confident	252 Å²	252	45.7 Å²	45.7	95%	0.951	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	124.1	175.8	-75.2	-174.2	174.4	-177.5	-1.3	110.2
266	G	71.1	Confident	85.7	Confident	67 Å²	67	43.6 Å²	43.6	69%	0.691	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	0.1	-178	0	0	0	0	0	114.8	R264	R264-G266 PolarHBondContact O-N 3.43Å
267	A	76.9	Confident	85.4	Confident	12 Å²	12	42.3 Å²	42.3	10%	0.099	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-73.1	146.3	171	0	0	0	0	0	111.4	F167 D169 R264	F167-A267 HydrophobicContact CD2-CB 3.79Å; F167-A267 HydrophobicContact CE2-CB 4.31Å; F167-A267 CarbonylContact O-C 3.39Å; F167-A267 WeakPolarHBondContact O-CA 3.15Å; F167-A267 VanDerWaalsContact O-CB 3.28Å; F167-A267 WeakPolarHBondContact O-CB 3.09Å; D169-A267 HydrophobicContact CB-CB 4.37Å; R264-A267 HydrophobicContact CB-CB 4Å; R264-A267 WeakPolarHBondContact O-CB 3.5Å; R264-A267 PolarHBondContact O-N 2.91Å
268	K	81	Confident	85.1	Confident	56 Å²	56	41.6 Å²	41.6	24%	0.243	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.4	170.3	-166.1	171.2	-173.5	169.6	0	108.5	F167 M168 D169 L357	F167-K268 PolarHBondContact O-N 3.48Å; M168-K268 WeakPolarHBondContact CA-O 3.45Å; M168-K268 HydrophobicContact CG-CB 4.26Å; D169-K268 PolarHBondContact N-O 3.14Å; K268-L357 HydrophobicContact CD-CB 4.29Å; K268-L357 VanDerWaalsContact NZ-CD2 3.26Å
269	K	88.8	Confident	84.9	Confident	66 Å²	66	41.6 Å²	41.6	29%	0.287	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.1	-177.1	-62.2	177.1	-171.4	167.6	0	109.8	F259 I297 T298	F259-K269 HydrophobicContact CB-CD 4.48Å; F259-K269 HydrophobicContact CD1-CB 3.97Å; F259-K269 HydrophobicContact CD1-CD 4.09Å; F259-K269 HydrophobicContact CD1-CG 3.86Å; F259-K269 HydrophobicContact CE1-CB 3.65Å; F259-K269 HydrophobicContact CE1-CG 4.05Å; F259-K269 HydrophobicContact CG-CD 4.26Å; F259-K269 HydrophobicContact CZ-CB 4.1Å; K269-I297 HydrophobicContact CB-CB 4.46Å; K269-I297 HydrophobicContact CB-CG1 4Å; K269-I297 HydrophobicContact CB-CG2 4.39Å; K269-I297 HydrophobicContact CD-CD1 4.49Å; K269-I297 HydrophobicContact CD-CG1 3.92Å; K269-T298 PolarHBondContact O-N 2.94Å
270	V	89.9	Confident	84.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.2	178.1	-180	0	0	0	0	109.7	M168 D169 I170 V171 F259 I272 T298 Y300 L357	M168-V270 HydrophobicContact CE-CB 4.47Å; M168-V270 HydrophobicContact CE-CG2 3.42Å; M168-V270 VanDerWaalsContact CE-CG2 3.42Å; D169-V270 PolarHBondContact O-N 3.21Å; I170-V270 CarbonylContact C-O 3.6Å; I170-V270 VanDerWaalsContact CA-O 3.29Å; I170-V270 WeakPolarHBondContact CA-O 3.43Å; I170-V270 HydrophobicContact CG1-CB 4.29Å; V171-V270 PolarHBondContact N-O 3.32Å; F259-V270 WeakPolarHBondContact CZ-O 3.05Å; V270-I272 HydrophobicContact CG1-CG1 4.39Å; V270-T298 CarbonylContact C-O 3.53Å; V270-T298 WeakPolarHBondContact CA-O 3.23Å; V270-Y300 HydrophobicContact CG1-CD2 3.73Å; V270-Y300 HydrophobicContact CG1-CE2 3.86Å; V270-L357 HydrophobicContact CG2-CD1 4.27Å
271	M	93.3	Very high	84.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132	175.4	-172	-174.9	-65.9	0	0	109.1	V171 V173 I251 A254 R255 F259 V273 I297 T298 R299 Y300	V171-M271 CarbonylContact O-C 3.6Å; V171-M271 VanDerWaalsContact O-CA 3.29Å; V171-M271 WeakPolarHBondContact O-CA 3.39Å; V173-M271 HydrophobicContact CG2-CG 3.72Å; V173-M271 HydrophobicContact CG2-SD 4.04Å; I251-M271 HydrophobicContact CB-SD 4.34Å; I251-M271 HydrophobicContact CG1-SD 4.19Å; I251-M271 HydrophobicContact CG2-CE 4.2Å; I251-M271 HydrophobicContact CG2-SD 3.94Å; A254-M271 HydrophobicContact CB-CE 3.68Å; A254-M271 HydrophobicContact CB-SD 4.3Å; R255-M271 HydrophobicContact CB-CE 4.38Å; F259-M271 HydrophobicContact CE2-CB 4.29Å; F259-M271 HydrophobicContact CE2-CE 3.9Å; F259-M271 HydrophobicContact CZ-CB 4.33Å; M271-V273 HydrophobicContact CG-CG2 4.01Å; M271-V273 HydrophobicContact SD-CG2 3.91Å; M271-I297 HydrophobicContact CB-CG2 3.76Å; M271-I297 HydrophobicContact CE-CD1 4.48Å; M271-I297 HydrophobicContact CE-CG2 4.31Å; M271-T298 PolarHBondContact N-O 3.48Å; M271-R299 HydrophobicContact CB-CG 4.25Å; M271-R299 CarbonylContact O-C 3.54Å; M271-R299 WeakPolarHBondContact O-CA 3.37Å; M271-Y300 PolarHBondContact O-N 3.33Å
272	I	93.3	Very high	84.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	110.3	175.6	-54.8	177.2	0	0	0	107.4	I170 V171 I172 V173 I193 V270 I274 Y300 I302 L350 I354	I170-I272 HydrophobicContact CG2-CD1 3.9Å; I170-I272 HydrophobicContact CG2-CG1 4.25Å; V171-I272 PolarHBondContact O-N 2.74Å; I172-I272 CarbonylContact C-O 3.54Å; I172-I272 WeakPolarHBondContact CA-O 3.47Å; I172-I272 HydrophobicContact CG1-CB 4.46Å; I172-I272 HydrophobicContact CG1-CD1 4.38Å; I172-I272 HydrophobicContact CG2-CB 4.43Å; V173-I272 PolarHBondContact N-O 2.67Å; I193-I272 HydrophobicContact CD1-CD1 4.12Å; V270-I272 HydrophobicContact CG1-CG1 4.39Å; I272-I274 HydrophobicContact CG2-CD1 4.17Å; I272-I274 HydrophobicContact CG2-CG1 4.32Å; I272-Y300 CarbonylContact C-O 3.54Å; I272-Y300 WeakPolarHBondContact CA-O 3.38Å; I272-I302 HydrophobicContact CG2-CD1 3.79Å; I272-L350 HydrophobicContact CG2-CD2 4.47Å; I272-I354 HydrophobicContact CD1-CD1 3.68Å
273	V	93.4	Very high	84.6	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.7	-178.6	-173.4	0	0	0	0	108.9	V173 T247 I251 M271 Y300 A301 I302 I325	V173-V273 HydrophobicContact CB-CG2 4.34Å; V173-V273 WeakPolarHBondContact O-CA 3.34Å; T247-V273 HydrophobicContact CG2-CG1 4.09Å; I251-V273 HydrophobicContact CD1-CG2 4.33Å; I251-V273 HydrophobicContact CG1-CG2 4.07Å; M271-V273 HydrophobicContact CG-CG2 4.01Å; M271-V273 HydrophobicContact SD-CG2 3.91Å; V273-Y300 PolarHBondContact N-O 2.99Å; V273-A301 WeakPolarHBondContact O-CA 3.47Å; V273-I302 PolarHBondContact O-N 3.06Å; V273-I325 HydrophobicContact CB-CG2 4.26Å; V273-I325 HydrophobicContact CG1-CG2 4.45Å; V273-I325 HydrophobicContact CG2-CG2 4.06Å
274	I	92.8	Very high	84.8	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.6	-180	-64.2	149.9	0	0	0	108.1	I172 V173 L174 D175 F189 I272 I302 V304	I172-I274 HydrophobicContact CG2-CD1 3.97Å; V173-I274 PolarHBondContact O-N 3.36Å; L174-I274 HydrophobicContact CD2-CB 4.29Å; L174-I274 HydrophobicContact CD2-CD1 3.53Å; L174-I274 HydrophobicContact CD2-CG1 4.49Å; D175-I274 VanDerWaalsContact CB-O 3.28Å; D175-I274 WeakPolarHBondContact CB-O 3.47Å; D175-I274 PolarHBondContact N-O 3.46Å; F189-I274 HydrophobicContact CD1-CD1 4.14Å; F189-I274 HydrophobicContact CE1-CD1 3.46Å; F189-I274 VanDerWaalsContact CE1-CD1 3.46Å; F189-I274 HydrophobicContact CE1-CG1 4.49Å; F189-I274 HydrophobicContact CZ-CD1 4.27Å; I272-I274 HydrophobicContact CG2-CD1 4.17Å; I272-I274 HydrophobicContact CG2-CG1 4.32Å; I274-I302 HydrophobicContact CD1-CD1 4.23Å; I274-I302 HydrophobicContact CG1-CB 3.97Å; I274-I302 HydrophobicContact CG1-CD1 3.72Å; I274-I302 HydrophobicContact CG1-CG1 4.33Å; I274-V304 HydrophobicContact CG2-CG2 4.17Å
275	T	91.1	Very high	85	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	152.9	-176.9	-178.7	0	0	0	0	111.4	D175 Y211 G277 I302 V304 F318 I322	D175-T275 PolarHBondContact OD2-OG1 2.94Å; Y211-T275 VanDerWaalsContact OH-CB 3.28Å; Y211-T275 WeakPolarHBondContact OH-CB 2.99Å; Y211-T275 PolarHBondContact OH-OG1 3.22Å; T275-G277 PolarHBondContact OG1-N 3.07Å; T275-G277 PolarHBondContact OG1-O 3.03Å; T275-G277 VanDerWaalsContact OG1-O 3.1Å; T275-I302 PolarHBondContact N-O 3.49Å; T275-V304 PolarHBondContact O-N 3.21Å; T275-F318 HydrophobicContact CG2-CE2 4.02Å; T275-F318 HydrophobicContact CG2-CZ 4.18Å; T275-I322 HydrophobicContact CG2-CD1 3.23Å; T275-I322 HydrophobicContact CG2-CG1 4.05Å
276	D	85.6	Confident	85.6	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-117.8	6	175.1	78.2	-30.1	0	0	0	114.4	S179 I180 V304 Y308	S179-D276 WeakPolarHBondContact CB-OD1 3.06Å; S179-D276 WeakPolarHBondContact CB-OD2 3.42Å; S179-D276 PolarHBondContact OG-OD1 3.33Å; S179-D276 PolarHBondContact OG-OD2 2.75Å; I180-D276 HydrophobicContact CD1-CB 3.42Å; I180-D276 VanDerWaalsContact CD1-CB 3.42Å; I180-D276 WeakPolarHBondContact CD1-OD1 3.45Å; I180-D276 HydrophobicContact CG1-CB 4.34Å; I180-D276 PolarHBondContact N-OD2 2.76Å; I180-D276 VanDerWaalsContact N-OD2 3.13Å; D276-V304 VanDerWaalsContact CA-O 3.32Å; D276-V304 WeakPolarHBondContact CA-O 3.14Å; D276-V304 HydrophobicContact CB-CB 3.88Å; D276-V304 HydrophobicContact CB-CG1 4.32Å; D276-V304 WeakPolarHBondContact CB-O 3.18Å; D276-Y308 VanDerWaalsContact O-CE2 3.28Å; D276-Y308 WeakPolarHBondContact O-CE2 3.36Å
277	G	82.6	Confident	86.4	Confident	9 Å²	9	40.8 Å²	40.8	9%	0.093	21%	0.214	C	C	.	.	S	Bend	trans	-147.3	156.8	-176.7	0	0	0	0	0	114	T275 F318	T275-G277 PolarHBondContact OG1-N 3.07Å; T275-G277 PolarHBondContact OG1-O 3.03Å; T275-G277 VanDerWaalsContact OG1-O 3.1Å; G277-F318 VanDerWaalsContact C-CE2 3.44Å; G277-F318 WeakPolarHBondContact O-CE2 3.35Å
278	E	84.9	Confident	87	Confident	71 Å²	71	40.5 Å²	40.5	33%	0.332	21%	0.211	S	C	.	.			trans	-61.3	143.2	172.8	-74.3	164	-132.7	0	0	111.6	H280 Y308 F318	E278-H280 PolarHBondContact O-N 3.26Å; E278-H280 PolarHBondContact O-ND1 3Å; E278-Y308 PolarHBondContact OE1-OH 2.95Å; E278-F318 HydrophobicContact CG-CB 3.93Å; E278-F318 HydrophobicContact CG-CD2 4.16Å
279	S	85.7	Confident	87.5	Confident	6 Å²	6	38 Å²	38	4%	0.042	20%	0.201	C	C	.	.			trans	-71	125.6	-177.7	-144	0	0	0	0	112.2	T245 T247 D281 S282 E321	T245-S279 WeakPolarHBondContact O-CA 3.32Å; T247-S279 WeakPolarHBondContact CA-OG 3.43Å; T247-S279 WeakPolarHBondContact CB-OG 3.4Å; T247-S279 PolarHBondContact N-OG 2.98Å; T247-S279 PolarHBondContact OG1-OG 3.35Å; S279-D281 PolarHBondContact O-N 2.86Å; S279-D281 PolarHBondContact OG-OD1 3.45Å; S279-S282 PolarHBondContact O-N 3.28Å; S279-S282 PolarHBondContact O-OG 2.98Å; S279-E321 WeakPolarHBondContact CB-OE1 3.39Å; S279-E321 PolarHBondContact N-OE1 2.95Å
280	H	83.3	Confident	87.5	Confident	120 Å²	120	38.9 Å²	38.9	56%	0.556	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.2	175.8	-70.2	70.8	0	0	0	112.5	T245 E278	T245-H280 PolarHBondContact N-ND1 3.35Å; T245-H280 PolarHBondContact O-N 3.47Å; E278-H280 PolarHBondContact O-N 3.26Å; E278-H280 PolarHBondContact O-ND1 3Å
281	D	84	Confident	87.6	Confident	22 Å²	22	41 Å²	41	12%	0.118	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	31.3	173.5	62.5	-6.8	0	0	0	112.8	N246 T247 A248 L249 S279 P283 D284	N246-D281 WeakPolarHBondContact CA-OD1 3.49Å; N246-D281 WeakPolarHBondContact CA-OD2 3.49Å; N246-D281 WeakPolarHBondContact CB-OD2 3.28Å; T247-D281 PolarHBondContact N-OD1 3.19Å; T247-D281 VanDerWaalsContact N-OD1 3.16Å; A248-D281 WeakPolarHBondContact CA-OD2 3.49Å; A248-D281 HydrophobicContact CB-CB 4.4Å; A248-D281 VanDerWaalsContact CB-CG 3.47Å; A248-D281 VanDerWaalsContact CB-OD2 3.31Å; A248-D281 WeakPolarHBondContact CB-OD2 3.43Å; A248-D281 PolarHBondContact N-OD1 3.42Å; A248-D281 VanDerWaalsContact N-OD1 3.07Å; A248-D281 PolarHBondContact N-OD2 3.39Å; A248-D281 VanDerWaalsContact N-OD2 3.17Å; L249-D281 PolarHBondContact N-OD2 3.34Å; S279-D281 PolarHBondContact O-N 2.86Å; S279-D281 PolarHBondContact OG-OD1 3.45Å; D281-P283 VanDerWaalsContact C-N 3.3Å; D281-P283 WeakPolarHBondContact O-CD 3.24Å; D281-P283 VanDerWaalsContact O-N 3.09Å; D281-D284 PolarHBondContact O-N 2.76Å
282	S	76.9	Confident	87.5	Confident	51 Å²	51	41 Å²	41	36%	0.357	22%	0.217	S	C	.	.	H	α-helix	trans	-43.3	-39.6	178.3	-76	0	0	0	0	116.1	S279 D284 L285	S279-S282 PolarHBondContact O-N 3.28Å; S279-S282 PolarHBondContact O-OG 2.98Å; S282-D284 PolarHBondContact O-N 2.91Å; S282-L285 VanDerWaalsContact O-CB 3.28Å; S282-L285 WeakPolarHBondContact O-CB 3.48Å; S282-L285 PolarHBondContact O-N 3.28Å
283	P	83.2	Confident	87.2	Confident	113 Å²	113	45.9 Å²	45.9	73%	0.734	24%	0.24	S	C	*	.	H	α-helix	trans	-60.6	-28.4	178.6	-24.9	35.8	0	0	0	114.6	D281	D281-P283 VanDerWaalsContact C-N 3.3Å; D281-P283 WeakPolarHBondContact O-CD 3.24Å; D281-P283 VanDerWaalsContact O-N 3.09Å
284	D	86.3	Confident	87	Confident	106 Å²	106	54.4 Å²	54.4	57%	0.567	28%	0.276	S	S	*	.	H	α-helix	trans	-91.5	-9.9	-178.4	-66.1	-33.8	0	0	0	112.5	A248 D281 S282 Q286 Q287 A288	A248-D284 HydrophobicContact CB-CB 4.06Å; D281-D284 PolarHBondContact O-N 2.76Å; S282-D284 PolarHBondContact O-N 2.91Å; D284-Q286 PolarHBondContact O-N 2.77Å; D284-Q287 PolarHBondContact O-N 3.26Å; D284-A288 PolarHBondContact O-N 2.78Å; D284-A288 VanDerWaalsContact O-N 3.1Å
285	L	86.8	Confident	86.7	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-42.3	-176.2	-172	65.5	0	0	0	112	A248 I251 S282 Q287 A288 I289 E321 I325	A248-L285 HydrophobicContact CB-CB 4.05Å; A248-L285 HydrophobicContact CB-CD1 4.02Å; I251-L285 HydrophobicContact CD1-CD1 3.95Å; S282-L285 VanDerWaalsContact O-CB 3.28Å; S282-L285 WeakPolarHBondContact O-CB 3.48Å; S282-L285 PolarHBondContact O-N 3.28Å; L285-Q287 PolarHBondContact O-N 3.37Å; L285-A288 PolarHBondContact O-N 2.71Å; L285-I289 HydrophobicContact CD1-CD1 4.3Å; L285-I289 HydrophobicContact CD2-CD1 4.5Å; L285-I289 HydrophobicContact CG-CD1 3.87Å; L285-I289 WeakPolarHBondContact O-CG1 3.26Å; L285-I289 PolarHBondContact O-N 3.21Å; L285-E321 HydrophobicContact CD2-CG 3.64Å; L285-I325 HydrophobicContact CD1-CD1 4.17Å; L285-I325 HydrophobicContact CD1-CG1 4.13Å; L285-I325 HydrophobicContact CD2-CD1 4.31Å; L285-I325 HydrophobicContact CD2-CG1 4.18Å; L285-I325 HydrophobicContact CG-CG1 4.48Å
286	Q	86.9	Confident	86.5	Confident	108 Å²	108	59.9 Å²	59.9	51%	0.505	32%	0.318	S	S	.	.	H	α-helix	trans	-57.3	-48.3	177.2	175.1	167.9	5.8	0	0	111.4	D284 A288 I289 E290 Y324	D284-Q286 PolarHBondContact O-N 2.77Å; Q286-A288 VanDerWaalsContact C-N 3.33Å; Q286-A288 PolarHBondContact O-N 3.43Å; Q286-I289 PolarHBondContact O-N 2.99Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.4Å; Q286-E290 PolarHBondContact NE2-OE1 2.04Å; Q286-E290 WeakPolarHBondContact O-CG 3.4Å; Q286-E290 PolarHBondContact O-N 3.44Å; Q286-Y324 HydrophobicContact CB-CE1 4.44Å; Q286-Y324 WeakPolarHBondContact CG-OH 3.42Å
287	Q	88.3	Confident	86.7	Confident	106 Å²	106	60.1 Å²	60.1	50%	0.495	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-39.1	179	-171.6	65.4	55.9	0	0	111.7	D284 L285 I289 D291	D284-Q287 PolarHBondContact O-N 3.26Å; L285-Q287 PolarHBondContact O-N 3.37Å; Q287-I289 VanDerWaalsContact C-N 3.33Å; Q287-I289 PolarHBondContact O-N 2.82Å; Q287-D291 PolarHBondContact NE2-OD1 3.1Å; Q287-D291 VanDerWaalsContact O-CB 3.27Å; Q287-D291 WeakPolarHBondContact O-CB 3.29Å; Q287-D291 PolarHBondContact O-N 2.87Å
288	A	89.8	Confident	87	Confident	6 Å²	6	61 Å²	61	5%	0.05	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-35.7	179	0	0	0	0	0	112.8	A248 I251 D284 L285 Q286 S292	A248-A288 HydrophobicContact CB-CB 4.46Å; I251-A288 HydrophobicContact CB-CB 4.47Å; I251-A288 HydrophobicContact CG2-CB 4.14Å; D284-A288 PolarHBondContact O-N 2.78Å; D284-A288 VanDerWaalsContact O-N 3.1Å; L285-A288 PolarHBondContact O-N 2.71Å; Q286-A288 VanDerWaalsContact C-N 3.33Å; Q286-A288 PolarHBondContact O-N 3.43Å; A288-S292 WeakPolarHBondContact O-CB 3.43Å; A288-S292 PolarHBondContact O-N 3.02Å; A288-S292 PolarHBondContact O-OG 3.24Å
289	I	91.2	Very high	87.4	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-72.2	-51	177.4	-67.2	162.7	0	0	0	110.5	L285 Q286 Q287 D291 S292 E293 Y324 I325	L285-I289 HydrophobicContact CD1-CD1 4.3Å; L285-I289 HydrophobicContact CD2-CD1 4.5Å; L285-I289 HydrophobicContact CG-CD1 3.87Å; L285-I289 WeakPolarHBondContact O-CG1 3.26Å; L285-I289 PolarHBondContact O-N 3.21Å; Q286-I289 PolarHBondContact O-N 2.99Å; Q287-I289 VanDerWaalsContact C-N 3.33Å; Q287-I289 PolarHBondContact O-N 2.82Å; I289-D291 VanDerWaalsContact C-N 3.3Å; I289-D291 PolarHBondContact O-N 2.82Å; I289-S292 WeakPolarHBondContact O-CA 3.38Å; I289-S292 WeakPolarHBondContact O-CB 3.47Å; I289-S292 PolarHBondContact O-N 3.39Å; I289-E293 PolarHBondContact O-N 3.39Å; I289-Y324 HydrophobicContact CD1-CD1 3.35Å; I289-Y324 HydrophobicContact CD1-CE1 3.45Å; I289-Y324 VanDerWaalsContact CD1-CE1 3.45Å; I289-Y324 HydrophobicContact CD1-CG 4.27Å; I289-I325 HydrophobicContact CD1-CG1 4.07Å
290	E	89.1	Confident	87.6	Confident	84 Å²	84	57.6 Å²	57.6	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-57.3	-42.9	178.7	-71.8	178.1	-168.1	0	0	111.7	Q286 S292 E293 K294	Q286-E290 WeakPolarHBondContact CG-OE1 3.4Å; Q286-E290 PolarHBondContact NE2-OE1 2.04Å; Q286-E290 WeakPolarHBondContact O-CG 3.4Å; Q286-E290 PolarHBondContact O-N 3.44Å; E290-S292 VanDerWaalsContact C-N 3.32Å; E290-S292 PolarHBondContact O-N 2.91Å; E290-E293 PolarHBondContact O-N 3.41Å; E290-K294 PolarHBondContact O-N 3.06Å
291	D	91.3	Very high	88	Confident	43 Å²	43	51.9 Å²	51.9	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-37.1	175.1	-87	12.7	0	0	0	112.5	R255 Q287 I289 K294 D295	R255-D291 IonicContact CZ-OD2 3.36Å; R255-D291 IonicContact NH1-OD2 2.73Å; R255-D291 IonicContact NH2-OD2 3.25Å; R255-D291 PolarHBondContact NH2-OD2 3.26Å; Q287-D291 PolarHBondContact NE2-OD1 3.1Å; Q287-D291 VanDerWaalsContact O-CB 3.27Å; Q287-D291 WeakPolarHBondContact O-CB 3.29Å; Q287-D291 PolarHBondContact O-N 2.87Å; I289-D291 VanDerWaalsContact C-N 3.3Å; I289-D291 PolarHBondContact O-N 2.82Å; D291-K294 PolarHBondContact O-N 2.94Å; D291-D295 PolarHBondContact O-N 3.16Å; D291-D295 VanDerWaalsContact O-N 3.14Å
292	S	90.9	Very high	88.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.9	-34.1	178.5	-63.1	0	0	0	0	112.2	A288 I289 E290 D295 G296 I297	A288-S292 WeakPolarHBondContact O-CB 3.43Å; A288-S292 PolarHBondContact O-N 3.02Å; A288-S292 PolarHBondContact O-OG 3.24Å; I289-S292 WeakPolarHBondContact O-CA 3.38Å; I289-S292 WeakPolarHBondContact O-CB 3.47Å; I289-S292 PolarHBondContact O-N 3.39Å; E290-S292 VanDerWaalsContact C-N 3.32Å; E290-S292 PolarHBondContact O-N 2.91Å; S292-D295 PolarHBondContact O-N 3.22Å; S292-G296 PolarHBondContact O-N 3.04Å; S292-I297 WeakPolarHBondContact O-CB 3.41Å; S292-I297 PolarHBondContact O-N 3.05Å
293	E	88.2	Confident	89.1	Confident	104 Å²	104	48.4 Å²	48.4	49%	0.486	26%	0.258	S	S	.	.	H	α-helix	trans	-66.2	-44.5	172.5	-69.8	-175.9	170.4	0	0	112	I289 E290 D295 G296 R299	I289-E293 PolarHBondContact O-N 3.39Å; E290-E293 PolarHBondContact O-N 3.41Å; E293-D295 PolarHBondContact O-N 3.27Å; E293-G296 WeakPolarHBondContact O-CA 3.18Å; E293-G296 PolarHBondContact O-N 3.3Å; E293-R299 VanDerWaalsContact CG-NH2 3.29Å; E293-R299 IonicContact OE1-CZ 2.9Å; E293-R299 IonicContact OE1-NH2 2.73Å; E293-R299 PolarHBondContact OE1-NH2 3.33Å
294	K	88.6	Confident	89.4	Confident	180 Å²	180	43 Å²	43	78%	0.783	22%	0.223	S	C	*	.	H	α-helix	trans	-59.9	-34.8	176.4	-170.3	177.1	-178.3	177.2	0	112.5	E290 D291 G296	E290-K294 PolarHBondContact O-N 3.06Å; D291-K294 PolarHBondContact O-N 2.94Å; K294-G296 PolarHBondContact O-N 3.24Å
295	D	87	Confident	89.4	Confident	63 Å²	63	38.7 Å²	38.7	34%	0.337	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.4	176.5	-74.6	-21.5	0	0	0	113.8	R255 D291 S292 E293 I297	R255-D295 WeakPolarHBondContact CD-OD2 3.13Å; R255-D295 WeakPolarHBondContact CG-OD2 3.38Å; R255-D295 IonicContact CZ-OD2 3.5Å; R255-D295 IonicContact NE-OD2 3.66Å; R255-D295 IonicContact NH1-OD2 2.71Å; R255-D295 PolarHBondContact NH1-OD2 2.95Å; D291-D295 PolarHBondContact O-N 3.16Å; D291-D295 VanDerWaalsContact O-N 3.14Å; S292-D295 PolarHBondContact O-N 3.22Å; E293-D295 PolarHBondContact O-N 3.27Å; D295-I297 HydrophobicContact CB-CD1 4.17Å; D295-I297 HydrophobicContact CB-CG1 4.18Å
296	G	86.6	Confident	89.3	Confident	54 Å²	54	38.4 Å²	38.4	56%	0.557	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.4	32.7	176.4	0	0	0	0	0	114	S292 E293 K294	S292-G296 PolarHBondContact O-N 3.04Å; E293-G296 WeakPolarHBondContact O-CA 3.18Å; E293-G296 PolarHBondContact O-N 3.3Å; K294-G296 PolarHBondContact O-N 3.24Å
297	I	89.6	Confident	89	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.3	-178.3	-56	174.9	0	0	0	109.8	R255 F259 K269 M271 S292 D295 R299	R255-I297 HydrophobicContact CB-CD1 4.1Å; R255-I297 HydrophobicContact CG-CD1 3.71Å; F259-I297 HydrophobicContact CD2-CD1 3.88Å; F259-I297 HydrophobicContact CE2-CD1 3.96Å; F259-I297 HydrophobicContact CE2-CG2 3.99Å; F259-I297 HydrophobicContact CZ-CG2 4.1Å; K269-I297 HydrophobicContact CB-CB 4.46Å; K269-I297 HydrophobicContact CB-CG1 4Å; K269-I297 HydrophobicContact CB-CG2 4.39Å; K269-I297 HydrophobicContact CD-CD1 4.49Å; K269-I297 HydrophobicContact CD-CG1 3.92Å; M271-I297 HydrophobicContact CB-CG2 3.76Å; M271-I297 HydrophobicContact CE-CD1 4.48Å; M271-I297 HydrophobicContact CE-CG2 4.31Å; S292-I297 WeakPolarHBondContact O-CB 3.41Å; S292-I297 PolarHBondContact O-N 3.05Å; D295-I297 HydrophobicContact CB-CD1 4.17Å; D295-I297 HydrophobicContact CB-CG1 4.18Å; I297-R299 HydrophobicContact CG2-CG 4.34Å; I297-R299 PolarHBondContact O-NH1 3.35Å; I297-R299 VanDerWaalsContact O-NH1 3.11Å
298	T	89.1	Confident	88.8	Confident	27 Å²	27	31.9 Å²	31.9	17%	0.166	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.9	171.3	-55.5	0	0	0	0	109.3	K269 V270 M271 Y300	K269-T298 PolarHBondContact O-N 2.94Å; V270-T298 CarbonylContact C-O 3.53Å; V270-T298 WeakPolarHBondContact CA-O 3.23Å; M271-T298 PolarHBondContact N-O 3.48Å; T298-Y300 HydrophobicContact CG2-CE2 4.06Å
299	R	92	Very high	88.5	Confident	1 Å²	1	36 Å²	36	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.3	-175.2	-59	171.3	-57.3	-80.3	4.9	110.1	M271 E293 I297 I325 S327 H333	M271-R299 HydrophobicContact CB-CG 4.25Å; M271-R299 CarbonylContact O-C 3.54Å; M271-R299 WeakPolarHBondContact O-CA 3.37Å; E293-R299 VanDerWaalsContact CG-NH2 3.29Å; E293-R299 IonicContact OE1-CZ 2.9Å; E293-R299 IonicContact OE1-NH2 2.73Å; E293-R299 PolarHBondContact OE1-NH2 3.33Å; I297-R299 HydrophobicContact CG2-CG 4.34Å; I297-R299 PolarHBondContact O-NH1 3.35Å; I297-R299 VanDerWaalsContact O-NH1 3.11Å; R299-I325 WeakPolarHBondContact CB-O 3.32Å; R299-I325 PolarHBondContact NE-O 3.41Å; R299-S327 PolarHBondContact N-OG 3.33Å; R299-S327 PolarHBondContact O-N 2.87Å; R299-H333 WeakPolarHBondContact O-CB 3.42Å
300	Y	91.5	Very high	87.9	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.6	167.2	-72.2	-89	0	0	0	108.7	V270 M271 I272 V273 T298 H333 F335 L350 R353 I354 L357	V270-Y300 HydrophobicContact CG1-CD2 3.73Å; V270-Y300 HydrophobicContact CG1-CE2 3.86Å; M271-Y300 PolarHBondContact O-N 3.33Å; I272-Y300 CarbonylContact C-O 3.54Å; I272-Y300 WeakPolarHBondContact CA-O 3.38Å; V273-Y300 PolarHBondContact N-O 2.99Å; T298-Y300 HydrophobicContact CG2-CE2 4.06Å; Y300-H333 WeakPolarHBondContact CA-O 3.46Å; Y300-H333 HydrophobicContact CD1-CB 4.14Å; Y300-H333 AromaticContact CD1-CD2 3.95Å; Y300-H333 HydrophobicContact CE1-CB 4.36Å; Y300-H333 AromaticContact CE1-CD2 3.46Å; Y300-H333 VanDerWaalsContact CE1-CD2 3.46Å; Y300-H333 WeakPolarHBondContact CE1-CD2 3.4Å; Y300-H333 AromaticContact CE2-CD2 3.97Å; Y300-H333 AromaticContact CZ-CD2 3.47Å; Y300-H333 VanDerWaalsContact CZ-CD2 3.47Å; Y300-F335 AromaticContact CD1-CE2 3.95Å; Y300-F335 HydrophobicContact CD1-CE2 3.95Å; Y300-F335 HydrophobicContact CE1-CE2 4.41Å; Y300-L350 HydrophobicContact CD1-CD1 3.76Å; Y300-L350 HydrophobicContact CE1-CD1 4.27Å; Y300-L350 HydrophobicContact CG-CD1 4.01Å; Y300-R353 HydrophobicContact CE1-CB 4.32Å; Y300-I354 HydrophobicContact CD2-CG1 4.44Å; Y300-I354 HydrophobicContact CE2-CG1 3.94Å; Y300-L357 HydrophobicContact CE2-CD1 4.16Å; Y300-L357 WeakPolarHBondContact OH-CD1 3.38Å
301	A	91.9	Very high	87.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.9	-177.5	0	0	0	0	0	109.9	V273 I322 I325 A326 H333 F334 F335	V273-A301 WeakPolarHBondContact O-CA 3.47Å; A301-I322 HydrophobicContact CB-CG2 3.49Å; A301-I322 VanDerWaalsContact CB-CG2 3.49Å; A301-I322 VanDerWaalsContact CB-O 3.31Å; A301-I322 WeakPolarHBondContact CB-O 3.08Å; A301-I325 HydrophobicContact CB-CB 4.12Å; A301-I325 HydrophobicContact CB-CG2 4.04Å; A301-A326 HydrophobicContact CB-CB 3.92Å; A301-H333 PolarHBondContact N-O 3.19Å; A301-F334 WeakPolarHBondContact O-CA 3.46Å; A301-F335 PolarHBondContact O-N 2.7Å
302	I	92.2	Very high	86.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.4	-175.8	-59.3	165.5	0	0	0	108.2	F189 I272 V273 I274 T275 F335 L343 I346 L350	F189-I302 HydrophobicContact CZ-CD1 3.99Å; I272-I302 HydrophobicContact CG2-CD1 3.79Å; V273-I302 PolarHBondContact O-N 3.06Å; I274-I302 HydrophobicContact CD1-CD1 4.23Å; I274-I302 HydrophobicContact CG1-CB 3.97Å; I274-I302 HydrophobicContact CG1-CD1 3.72Å; I274-I302 HydrophobicContact CG1-CG1 4.33Å; T275-I302 PolarHBondContact N-O 3.49Å; I302-F335 CarbonylContact C-O 3.51Å; I302-F335 WeakPolarHBondContact CA-O 3.22Å; I302-F335 HydrophobicContact CG1-CB 4.26Å; I302-L343 HydrophobicContact CG2-CD2 3.75Å; I302-I346 HydrophobicContact CD1-CD1 3.95Å; I302-I346 HydrophobicContact CG1-CD1 4.22Å; I302-I346 HydrophobicContact CG2-CD1 3.69Å; I302-L350 HydrophobicContact CD1-CD2 3.73Å
303	A	90.4	Very high	86.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.3	176.3	0	0	0	0	0	110.6	F318 L319 I322 F334 F335 N336 V337	A303-F318 HydrophobicContact CB-CD1 4.49Å; A303-F318 HydrophobicContact CB-CE1 3.65Å; A303-F318 HydrophobicContact CB-CZ 3.98Å; A303-L319 HydrophobicContact CB-CD2 4.05Å; A303-I322 HydrophobicContact CB-CB 4.21Å; A303-I322 HydrophobicContact CB-CG1 4.12Å; A303-I322 HydrophobicContact CB-CG2 4.01Å; A303-F334 HydrophobicContact CB-CE2 4.04Å; A303-F334 HydrophobicContact CB-CZ 4.27Å; A303-F335 PolarHBondContact N-O 3.1Å; A303-N336 HydrophobicContact CB-CB 4.25Å; A303-N336 CarbonylContact O-C 3.59Å; A303-N336 WeakPolarHBondContact O-CA 3.2Å; A303-V337 PolarHBondContact O-N 3.19Å
304	V	90.3	Very high	86.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.8	176.6	-176.6	0	0	0	0	109.9	I274 T275 D276 G306 V337 E340 L343	I274-V304 HydrophobicContact CG2-CG2 4.17Å; T275-V304 PolarHBondContact O-N 3.21Å; D276-V304 VanDerWaalsContact CA-O 3.32Å; D276-V304 WeakPolarHBondContact CA-O 3.14Å; D276-V304 HydrophobicContact CB-CB 3.88Å; D276-V304 HydrophobicContact CB-CG1 4.32Å; D276-V304 WeakPolarHBondContact CB-O 3.18Å; V304-G306 PolarHBondContact O-N 2.94Å; V304-V337 HydrophobicContact CB-CG2 4.07Å; V304-V337 HydrophobicContact CG1-CG2 4.08Å; V304-V337 HydrophobicContact CG2-CG2 3.83Å; V304-E340 HydrophobicContact CG1-CG 3.91Å; V304-L343 HydrophobicContact CG2-CD1 4.32Å; V304-L343 HydrophobicContact CG2-CD2 4.05Å; V304-L343 HydrophobicContact CG2-CG 4.44Å
305	L	86.2	Confident	86.1	Confident	15 Å²	15	43.2 Å²	43.2	8%	0.079	24%	0.235	C	C	.	.			trans	-91.7	8.4	-172.8	-60.8	175.8	0	0	0	114.4	Y307 Y308 N309 P315 F318 L319 V337 T338	L305-Y307 PolarHBondContact O-N 2.79Å; L305-Y308 PolarHBondContact O-N 3.04Å; L305-N309 WeakPolarHBondContact O-CB 3.28Å; L305-N309 PolarHBondContact O-N 3.06Å; L305-N309 PolarHBondContact O-ND2 3.19Å; L305-P315 HydrophobicContact CD2-CB 3.61Å; L305-P315 HydrophobicContact CD2-CG 4.24Å; L305-F318 HydrophobicContact CD2-CD1 3.89Å; L305-F318 HydrophobicContact CD2-CE1 3.94Å; L305-L319 HydrophobicContact CD2-CD2 4.14Å; L305-L319 HydrophobicContact CD2-CG 4.47Å; L305-V337 VanDerWaalsContact CB-O 3.25Å; L305-V337 WeakPolarHBondContact CB-O 3.14Å; L305-V337 WeakPolarHBondContact CG-O 3.42Å; L305-V337 PolarHBondContact N-O 2.85Å; L305-T338 CarbonylContact C-O 3.52Å
306	G	83.4	Confident	86	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-55	-47.9	-176.3	0	0	0	0	0	112.7	V304 R310 T338	V304-G306 PolarHBondContact O-N 2.94Å; G306-R310 VanDerWaalsContact C-CZ 3.44Å; G306-R310 WeakPolarHBondContact O-CB 3.33Å; G306-R310 VanDerWaalsContact O-CG 3.23Å; G306-R310 WeakPolarHBondContact O-CG 3.22Å; G306-R310 PolarHBondContact O-N 3.28Å; G306-R310 PolarHBondContact O-NE 3.01Å; G306-T338 PolarHBondContact N-O 3.06Å
307	Y	82.4	Confident	85.9	Confident	65 Å²	65	47.9 Å²	47.9	26%	0.255	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-45.7	178.1	177.3	-100.1	0	0	0	113.2	L305 R311 I313	L305-Y307 PolarHBondContact O-N 2.79Å; Y307-R311 VanDerWaalsContact CE2-CZ 3.47Å; Y307-R311 PolarHBondContact O-N 3.05Å; Y307-R311 PolarHBondContact OH-NH1 3.25Å; Y307-I313 HydrophobicContact CE1-CD1 4.46Å
308	Y	83.9	Confident	85.6	Confident	13 Å²	13	47.6 Å²	47.6	5%	0.051	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-43.6	-179.9	-74	-98.5	0	0	0	112	D276 E278 L305 R311 G312 I313 P315 F318	D276-Y308 VanDerWaalsContact O-CE2 3.28Å; D276-Y308 WeakPolarHBondContact O-CE2 3.36Å; E278-Y308 PolarHBondContact OE1-OH 2.95Å; L305-Y308 PolarHBondContact O-N 3.04Å; Y308-R311 PolarHBondContact O-N 2.83Å; Y308-G312 PolarHBondContact O-N 2.78Å; Y308-I313 HydrophobicContact CD1-CB 3.9Å; Y308-I313 HydrophobicContact CD1-CG2 3.74Å; Y308-I313 HydrophobicContact CE1-CG2 4Å; Y308-I313 PolarHBondContact O-N 3.11Å; Y308-P315 HydrophobicContact CD1-CB 3.98Å; Y308-P315 HydrophobicContact CG-CB 4.12Å; Y308-F318 HydrophobicContact CD2-CD1 4.3Å; Y308-F318 HydrophobicContact CE1-CB 4.25Å; Y308-F318 HydrophobicContact CE2-CB 4.19Å; Y308-F318 AromaticContact CE2-CD1 3.86Å; Y308-F318 HydrophobicContact CE2-CD1 3.86Å; Y308-F318 HydrophobicContact CE2-CD2 4.47Å; Y308-F318 HydrophobicContact CE2-CE1 4.34Å; Y308-F318 AromaticContact CE2-CG 3.93Å; Y308-F318 HydrophobicContact CE2-CG 3.93Å; Y308-F318 AromaticContact CZ-CG 3.97Å; Y308-F318 WeakPolarHBondContact OH-CB 3.05Å
309	N	82.5	Confident	85.6	Confident	93 Å²	93	47.8 Å²	47.8	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-67.5	-40.9	178.9	-74.3	-25.3	0	0	0	112.1	L305 R311 G312 T338	L305-N309 WeakPolarHBondContact O-CB 3.28Å; L305-N309 PolarHBondContact O-N 3.06Å; L305-N309 PolarHBondContact O-ND2 3.19Å; N309-R311 PolarHBondContact O-N 3.31Å; N309-G312 PolarHBondContact O-N 2.87Å; N309-T338 PolarHBondContact ND2-O 3.48Å
310	R	79.9	Confident	85.3	Confident	126 Å²	126	52.5 Å²	52.5	48%	0.475	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-28	176.5	-75.7	-176	-69.8	-102.9	4.3	113.1	Y181 G306 E340	Y181-R310 VanDerWaalsContact O-CZ 3.28Å; Y181-R310 PolarHBondContact O-NH1 3.02Å; Y181-R310 PolarHBondContact O-NH2 3.44Å; Y181-R310 VanDerWaalsContact O-NH2 3.11Å; G306-R310 VanDerWaalsContact C-CZ 3.44Å; G306-R310 WeakPolarHBondContact O-CB 3.33Å; G306-R310 VanDerWaalsContact O-CG 3.23Å; G306-R310 WeakPolarHBondContact O-CG 3.22Å; G306-R310 PolarHBondContact O-N 3.28Å; G306-R310 PolarHBondContact O-NE 3.01Å; R310-E340 IonicContact CZ-OE1 3.95Å; R310-E340 IonicContact CZ-OE2 2.83Å; R310-E340 IonicContact NH1-OE1 3.82Å; R310-E340 PolarHBondContact NH1-OE1 3.13Å; R310-E340 IonicContact NH1-OE2 3.74Å; R310-E340 PolarHBondContact NH1-OE2 3.25Å; R310-E340 IonicContact NH2-OE1 3.52Å; R310-E340 PolarHBondContact NH2-OE1 2.76Å; R310-E340 IonicContact NH2-OE2 3.3Å
311	R	81.2	Confident	85.1	Confident	166 Å²	166	53.6 Å²	53.6	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-104.8	-3.5	-178.1	-67.6	-169.8	174.6	-167.1	1.5	114.7	Y307 Y308 N309 I313	Y307-R311 VanDerWaalsContact CE2-CZ 3.47Å; Y307-R311 PolarHBondContact O-N 3.05Å; Y307-R311 PolarHBondContact OH-NH1 3.25Å; Y308-R311 PolarHBondContact O-N 2.83Å; N309-R311 PolarHBondContact O-N 3.31Å; R311-I313 HydrophobicContact CB-CD1 3.7Å; R311-I313 HydrophobicContact CB-CG1 3.84Å
312	G	76.9	Confident	85	Confident	73 Å²	73	53.7 Å²	53.7	75%	0.753	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	32.1	-179	0	0	0	0	0	114.1	Y308 N309	Y308-G312 PolarHBondContact O-N 2.78Å; N309-G312 PolarHBondContact O-N 2.87Å
313	I	82.7	Confident	84.7	Confident	75 Å²	75	57.5 Å²	57.5	39%	0.385	29%	0.293	S	S	.	.			trans	-94.4	140	-177.7	-57.2	171.2	0	0	0	109.3	Y307 Y308 R311 P315	Y307-I313 HydrophobicContact CE1-CD1 4.46Å; Y308-I313 HydrophobicContact CD1-CB 3.9Å; Y308-I313 HydrophobicContact CD1-CG2 3.74Å; Y308-I313 HydrophobicContact CE1-CG2 4Å; Y308-I313 PolarHBondContact O-N 3.11Å; R311-I313 HydrophobicContact CB-CD1 3.7Å; R311-I313 HydrophobicContact CB-CG1 3.84Å; I313-P315 WeakPolarHBondContact O-CD 3.4Å
314	N	82.9	Confident	84.6	Confident	101 Å²	101	62.7 Å²	62.7	54%	0.54	31%	0.313	S	S	.	.			trans	-69.3	120.8	175.5	-177.2	10.8	0	0	0	110.8	E316	N314-E316 PolarHBondContact ND2-OE2 3.02Å; N314-E316 PolarHBondContact O-N 3.19Å; N314-E316 WeakPolarHBondContact OD1-CG 3.13Å; N314-E316 PolarHBondContact OD1-N 3.14Å
315	P	84.8	Confident	84.6	Confident	25 Å²	25	62.7 Å²	62.7	16%	0.162	31%	0.313	C	S	.	.			trans	-86.9	6.7	-175.8	35.3	-37	0	0	0	115	L305 Y308 I313 T317 F318 L319	L305-P315 HydrophobicContact CD2-CB 3.61Å; L305-P315 HydrophobicContact CD2-CG 4.24Å; Y308-P315 HydrophobicContact CD1-CB 3.98Å; Y308-P315 HydrophobicContact CG-CB 4.12Å; I313-P315 WeakPolarHBondContact O-CD 3.4Å; P315-T317 PolarHBondContact O-N 3.27Å; P315-F318 PolarHBondContact O-N 3.23Å; P315-L319 HydrophobicContact CB-CD1 4.2Å; P315-L319 HydrophobicContact CB-CG 4.32Å; P315-L319 HydrophobicContact CG-CD1 4.07Å; P315-L319 VanDerWaalsContact O-CG 3.31Å; P315-L319 WeakPolarHBondContact O-CG 3.33Å; P315-L319 PolarHBondContact O-N 2.87Å
316	E	85.3	Confident	84.8	Confident	123 Å²	123	62.2 Å²	62.2	58%	0.575	31%	0.312	S	S	*	.	H	α-helix	trans	-55.6	-44.3	-174	-82.1	177.6	159	0	0	114.5	N314 L319 N320	N314-E316 PolarHBondContact ND2-OE2 3.02Å; N314-E316 PolarHBondContact O-N 3.19Å; N314-E316 WeakPolarHBondContact OD1-CG 3.13Å; N314-E316 PolarHBondContact OD1-N 3.14Å; E316-L319 PolarHBondContact O-N 2.91Å; E316-N320 PolarHBondContact O-N 3.28Å; E316-N320 VanDerWaalsContact O-N 3.12Å; E316-N320 PolarHBondContact O-ND2 3.23Å
317	T	84.1	Confident	85	Confident	92 Å²	92	62.9 Å²	62.9	56%	0.564	32%	0.316	S	S	*	.	H	α-helix	trans	-62.6	-48.6	179.7	-50.5	0	0	0	0	111.2	P315 N320 E321	P315-T317 PolarHBondContact O-N 3.27Å; T317-N320 PolarHBondContact O-N 3.12Å; T317-E321 PolarHBondContact O-N 3.17Å; T317-E321 VanDerWaalsContact O-N 3.14Å
318	F	85.1	Confident	84.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.7	-46.8	175.3	173.3	-119.9	0	0	0	112.8	T275 G277 E278 A303 L305 Y308 P315 N320 E321 I322	T275-F318 HydrophobicContact CG2-CE2 4.02Å; T275-F318 HydrophobicContact CG2-CZ 4.18Å; G277-F318 VanDerWaalsContact C-CE2 3.44Å; G277-F318 WeakPolarHBondContact O-CE2 3.35Å; E278-F318 HydrophobicContact CG-CB 3.93Å; E278-F318 HydrophobicContact CG-CD2 4.16Å; A303-F318 HydrophobicContact CB-CD1 4.49Å; A303-F318 HydrophobicContact CB-CE1 3.65Å; A303-F318 HydrophobicContact CB-CZ 3.98Å; L305-F318 HydrophobicContact CD2-CD1 3.89Å; L305-F318 HydrophobicContact CD2-CE1 3.94Å; Y308-F318 HydrophobicContact CD2-CD1 4.3Å; Y308-F318 HydrophobicContact CE1-CB 4.25Å; Y308-F318 HydrophobicContact CE2-CB 4.19Å; Y308-F318 AromaticContact CE2-CD1 3.86Å; Y308-F318 HydrophobicContact CE2-CD1 3.86Å; Y308-F318 HydrophobicContact CE2-CD2 4.47Å; Y308-F318 HydrophobicContact CE2-CE1 4.34Å; Y308-F318 AromaticContact CE2-CG 3.93Å; Y308-F318 HydrophobicContact CE2-CG 3.93Å; Y308-F318 AromaticContact CZ-CG 3.97Å; Y308-F318 WeakPolarHBondContact OH-CB 3.05Å; P315-F318 PolarHBondContact O-N 3.23Å; F318-N320 VanDerWaalsContact C-N 3.26Å; F318-N320 PolarHBondContact O-N 3.1Å; F318-E321 WeakPolarHBondContact O-CB 3.47Å; F318-E321 PolarHBondContact O-N 3.33Å; F318-E321 VanDerWaalsContact O-N 3.12Å; F318-I322 HydrophobicContact CD2-CD1 4.21Å; F318-I322 HydrophobicContact CD2-CG1 3.9Å; F318-I322 HydrophobicContact CE1-CG1 4.35Å; F318-I322 HydrophobicContact CE2-CD1 3.64Å; F318-I322 HydrophobicContact CE2-CG1 3.46Å; F318-I322 VanDerWaalsContact CE2-CG1 3.46Å; F318-I322 HydrophobicContact CZ-CD1 4.24Å; F318-I322 HydrophobicContact CZ-CG1 3.71Å; F318-I322 WeakPolarHBondContact O-CG1 3.42Å; F318-I322 PolarHBondContact O-N 2.86Å
319	L	87.4	Confident	84.8	Confident	30 Å²	30	68.5 Å²	68.5	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-62.2	-34.8	179.8	-70.6	170	0	0	0	112.1	A303 L305 P315 E316 K323 F334 N336	A303-L319 HydrophobicContact CB-CD2 4.05Å; L305-L319 HydrophobicContact CD2-CD2 4.14Å; L305-L319 HydrophobicContact CD2-CG 4.47Å; P315-L319 HydrophobicContact CB-CD1 4.2Å; P315-L319 HydrophobicContact CB-CG 4.32Å; P315-L319 HydrophobicContact CG-CD1 4.07Å; P315-L319 VanDerWaalsContact O-CG 3.31Å; P315-L319 WeakPolarHBondContact O-CG 3.33Å; P315-L319 PolarHBondContact O-N 2.87Å; E316-L319 PolarHBondContact O-N 2.91Å; L319-K323 WeakPolarHBondContact O-CB 3.03Å; L319-K323 VanDerWaalsContact O-CG 3.23Å; L319-K323 WeakPolarHBondContact O-CG 3.06Å; L319-K323 PolarHBondContact O-N 2.87Å; L319-F334 HydrophobicContact CD2-CZ 3.75Å; L319-N336 HydrophobicContact CD2-CB 4.02Å
320	N	86.3	Confident	84.4	Confident	101 Å²	101	67.5 Å²	67.5	54%	0.54	35%	0.349	S	S	.	.	H	α-helix	trans	-69.3	-37.8	175.3	-70.5	-28.4	0	0	0	112.1	E316 T317 F318 Y324	E316-N320 PolarHBondContact O-N 3.28Å; E316-N320 VanDerWaalsContact O-N 3.12Å; E316-N320 PolarHBondContact O-ND2 3.23Å; T317-N320 PolarHBondContact O-N 3.12Å; F318-N320 VanDerWaalsContact C-N 3.26Å; F318-N320 PolarHBondContact O-N 3.1Å; N320-Y324 PolarHBondContact O-N 3.47Å; N320-Y324 VanDerWaalsContact O-N 3.14Å
321	E	87.6	Confident	84.2	Confident	26 Å²	26	66.2 Å²	66.2	12%	0.121	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-47.1	174.2	-173.8	-178.3	110	0	0	111.8	S279 L285 T317 F318 K323 Y324 I325	S279-E321 WeakPolarHBondContact CB-OE1 3.39Å; S279-E321 PolarHBondContact N-OE1 2.95Å; L285-E321 HydrophobicContact CD2-CG 3.64Å; T317-E321 PolarHBondContact O-N 3.17Å; T317-E321 VanDerWaalsContact O-N 3.14Å; F318-E321 WeakPolarHBondContact O-CB 3.47Å; F318-E321 PolarHBondContact O-N 3.33Å; F318-E321 VanDerWaalsContact O-N 3.12Å; E321-K323 PolarHBondContact O-N 2.77Å; E321-Y324 VanDerWaalsContact O-CB 3.31Å; E321-Y324 WeakPolarHBondContact O-CB 3.35Å; E321-Y324 PolarHBondContact O-N 2.78Å; E321-Y324 VanDerWaalsContact O-N 3.09Å; E321-I325 PolarHBondContact O-N 2.78Å; E321-I325 VanDerWaalsContact O-N 3.14Å
322	I	89.1	Confident	84	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-70.5	-34.6	-178.2	-56.2	-45.6	0	0	0	112.1	T275 A301 A303 F318 Y324 I325 A326 F334	T275-I322 HydrophobicContact CG2-CD1 3.23Å; T275-I322 HydrophobicContact CG2-CG1 4.05Å; A301-I322 HydrophobicContact CB-CG2 3.49Å; A301-I322 VanDerWaalsContact CB-CG2 3.49Å; A301-I322 VanDerWaalsContact CB-O 3.31Å; A301-I322 WeakPolarHBondContact CB-O 3.08Å; A303-I322 HydrophobicContact CB-CB 4.21Å; A303-I322 HydrophobicContact CB-CG1 4.12Å; A303-I322 HydrophobicContact CB-CG2 4.01Å; F318-I322 HydrophobicContact CD2-CD1 4.21Å; F318-I322 HydrophobicContact CD2-CG1 3.9Å; F318-I322 HydrophobicContact CE1-CG1 4.35Å; F318-I322 HydrophobicContact CE2-CD1 3.64Å; F318-I322 HydrophobicContact CE2-CG1 3.46Å; F318-I322 VanDerWaalsContact CE2-CG1 3.46Å; F318-I322 HydrophobicContact CZ-CD1 4.24Å; F318-I322 HydrophobicContact CZ-CG1 3.71Å; F318-I322 WeakPolarHBondContact O-CG1 3.42Å; F318-I322 PolarHBondContact O-N 2.86Å; I322-Y324 PolarHBondContact O-N 3.01Å; I322-I325 HydrophobicContact CD1-CD1 3.76Å; I322-I325 PolarHBondContact O-N 2.99Å; I322-A326 PolarHBondContact O-N 2.89Å; I322-F334 HydrophobicContact CB-CD2 4.33Å; I322-F334 HydrophobicContact CB-CE2 3.79Å; I322-F334 HydrophobicContact CG2-CD2 3.83Å; I322-F334 HydrophobicContact CG2-CE2 3.57Å
323	K	87.6	Confident	84.3	Confident	81 Å²	81	60.8 Å²	60.8	35%	0.352	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-37.4	169.7	-78.2	175.7	-177.7	-177.7	0	111.9	L319 E321 I325 A326 F334	L319-K323 WeakPolarHBondContact O-CB 3.03Å; L319-K323 VanDerWaalsContact O-CG 3.23Å; L319-K323 WeakPolarHBondContact O-CG 3.06Å; L319-K323 PolarHBondContact O-N 2.87Å; E321-K323 PolarHBondContact O-N 2.77Å; K323-I325 VanDerWaalsContact C-N 3.34Å; K323-A326 PolarHBondContact O-N 2.92Å; K323-F334 HydrophobicContact CB-CD2 4.48Å; K323-F334 HydrophobicContact CD-CE1 4.47Å; K323-F334 HydrophobicContact CG-CB 4.4Å; K323-F334 HydrophobicContact CG-CD1 3.78Å; K323-F334 HydrophobicContact CG-CD2 3.77Å; K323-F334 HydrophobicContact CG-CE1 3.92Å; K323-F334 HydrophobicContact CG-CE2 3.92Å; K323-F334 HydrophobicContact CG-CG 3.7Å; K323-F334 HydrophobicContact CG-CZ 3.98Å
324	Y	87.7	Confident	84.6	Confident	108 Å²	108	58.4 Å²	58.4	42%	0.424	30%	0.299	S	S	.	.	H	α-helix	trans	-69.4	-29.9	177.6	-174.2	-112.1	0	0	0	113.1	Q286 I289 N320 E321 I322	Q286-Y324 HydrophobicContact CB-CE1 4.44Å; Q286-Y324 WeakPolarHBondContact CG-OH 3.42Å; I289-Y324 HydrophobicContact CD1-CD1 3.35Å; I289-Y324 HydrophobicContact CD1-CE1 3.45Å; I289-Y324 VanDerWaalsContact CD1-CE1 3.45Å; I289-Y324 HydrophobicContact CD1-CG 4.27Å; N320-Y324 PolarHBondContact O-N 3.47Å; N320-Y324 VanDerWaalsContact O-N 3.14Å; E321-Y324 VanDerWaalsContact O-CB 3.31Å; E321-Y324 WeakPolarHBondContact O-CB 3.35Å; E321-Y324 PolarHBondContact O-N 2.78Å; E321-Y324 VanDerWaalsContact O-N 3.09Å; I322-Y324 PolarHBondContact O-N 3.01Å
325	I	89.9	Confident	84.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.9	-36.1	174.2	-64.9	171.3	0	0	0	111.8	T247 I251 V273 L285 I289 R299 A301 E321 I322 K323	T247-I325 HydrophobicContact CG2-CD1 4.03Å; I251-I325 HydrophobicContact CD1-CD1 4.28Å; I251-I325 HydrophobicContact CD1-CG1 4.32Å; I251-I325 HydrophobicContact CD1-CG2 3.79Å; V273-I325 HydrophobicContact CB-CG2 4.26Å; V273-I325 HydrophobicContact CG1-CG2 4.45Å; V273-I325 HydrophobicContact CG2-CG2 4.06Å; L285-I325 HydrophobicContact CD1-CD1 4.17Å; L285-I325 HydrophobicContact CD1-CG1 4.13Å; L285-I325 HydrophobicContact CD2-CD1 4.31Å; L285-I325 HydrophobicContact CD2-CG1 4.18Å; L285-I325 HydrophobicContact CG-CG1 4.48Å; I289-I325 HydrophobicContact CD1-CG1 4.07Å; R299-I325 WeakPolarHBondContact CB-O 3.32Å; R299-I325 PolarHBondContact NE-O 3.41Å; A301-I325 HydrophobicContact CB-CB 4.12Å; A301-I325 HydrophobicContact CB-CG2 4.04Å; E321-I325 PolarHBondContact O-N 2.78Å; E321-I325 VanDerWaalsContact O-N 3.14Å; I322-I325 HydrophobicContact CD1-CD1 3.76Å; I322-I325 PolarHBondContact O-N 2.99Å; K323-I325 VanDerWaalsContact C-N 3.34Å
326	A	90.5	Very high	85.1	Confident	6 Å²	6	57.6 Å²	57.6	5%	0.05	29%	0.293	C	S	.	.	S	Bend	trans	-64	151.4	-179.2	0	0	0	0	0	112.2	A301 I322 K323 H333 F334	A301-A326 HydrophobicContact CB-CB 3.92Å; I322-A326 PolarHBondContact O-N 2.89Å; K323-A326 PolarHBondContact O-N 2.92Å; A326-H333 HydrophobicContact CB-CB 3.99Å; A326-F334 HydrophobicContact CB-CB 4.13Å
327	S	87.6	Confident	85.2	Confident	14 Å²	14	52.1 Å²	52.1	10%	0.098	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-79.7	152.6	173.9	-65.2	0	0	0	0	112.6	R299 P329 H333	R299-S327 PolarHBondContact N-OG 3.33Å; R299-S327 PolarHBondContact O-N 2.87Å; S327-P329 CarbonylContact O-C 3.59Å; S327-H333 WeakPolarHBondContact O-CB 3.32Å; S327-H333 PolarHBondContact O-ND1 3.25Å
328	D	80.1	Confident	85.2	Confident	137 Å²	137	51.9 Å²	51.9	73%	0.733	27%	0.266	S	S	*	.	S	Bend	trans	-69.7	142.7	176.4	-74.9	-35.6	0	0	0	113.4
329	P	81.5	Confident	85.1	Confident	59 Å²	59	55 Å²	55	38%	0.383	28%	0.283	S	S	.	.	S	Bend	cis	-77.3	143.5	-7.6	35.8	-36.7	0	0	0	111	S327 D331 K332 H333	S327-P329 CarbonylContact O-C 3.59Å; P329-D331 WeakPolarHBondContact CB-OD1 3.48Å; P329-D331 WeakPolarHBondContact CG-OD1 3.46Å; P329-D331 PolarHBondContact O-N 2.98Å; P329-K332 HydrophobicContact CG-CB 4.3Å; P329-K332 HydrophobicContact CG-CD 3.84Å; P329-K332 HydrophobicContact CG-CG 4.07Å; P329-K332 PolarHBondContact O-N 2.04Å; P329-H333 PolarHBondContact O-ND1 2.85Å
330	D	73.8	Confident	85	Confident	72 Å²	72	53.8 Å²	53.8	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-37.9	-172.5	63.2	-28	0	0	0	112.6	K332 H333 F334	D330-K332 PolarHBondContact O-N 2.86Å; D330-H333 PolarHBondContact O-N 2.78Å; D330-H333 VanDerWaalsContact O-N 3.11Å; D330-F334 WeakPolarHBondContact O-CB 2.94Å; D330-F334 PolarHBondContact O-N 3Å
331	D	75.8	Confident	84.8	Confident	99 Å²	99	51 Å²	51	53%	0.529	27%	0.267	S	S	.	.	H	α-helix	trans	-53.9	-24.3	175	72.8	-37.1	0	0	0	114.6	P329 R353	P329-D331 WeakPolarHBondContact CB-OD1 3.48Å; P329-D331 WeakPolarHBondContact CG-OD1 3.46Å; P329-D331 PolarHBondContact O-N 2.98Å; D331-R353 PolarHBondContact O-NH1 3.13Å; D331-R353 PolarHBondContact O-NH2 2.97Å
332	K	76.9	Confident	84.6	Confident	105 Å²	105	50.3 Å²	50.3	46%	0.457	27%	0.266	S	S	.	.	H	α-helix	trans	-97.2	-24.5	178.9	-67.7	-174.9	-173.5	177.2	0	114.6	P329 D330 R353	P329-K332 HydrophobicContact CG-CB 4.3Å; P329-K332 HydrophobicContact CG-CD 3.84Å; P329-K332 HydrophobicContact CG-CG 4.07Å; P329-K332 PolarHBondContact O-N 2.04Å; D330-K332 PolarHBondContact O-N 2.86Å; K332-R353 WeakPolarHBondContact O-CD 3.29Å; K332-R353 PolarHBondContact O-NH1 2.82Å
333	H	84.1	Confident	84.3	Confident	20 Å²	20	50.2 Å²	50.2	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-114	-11.2	-172.8	-58.4	98.7	0	0	0	113.9	R299 Y300 A301 A326 S327 P329 D330	R299-H333 WeakPolarHBondContact O-CB 3.42Å; Y300-H333 WeakPolarHBondContact CA-O 3.46Å; Y300-H333 HydrophobicContact CD1-CB 4.14Å; Y300-H333 AromaticContact CD1-CD2 3.95Å; Y300-H333 HydrophobicContact CE1-CB 4.36Å; Y300-H333 AromaticContact CE1-CD2 3.46Å; Y300-H333 VanDerWaalsContact CE1-CD2 3.46Å; Y300-H333 WeakPolarHBondContact CE1-CD2 3.4Å; Y300-H333 AromaticContact CE2-CD2 3.97Å; Y300-H333 AromaticContact CZ-CD2 3.47Å; Y300-H333 VanDerWaalsContact CZ-CD2 3.47Å; A301-H333 PolarHBondContact N-O 3.19Å; A326-H333 HydrophobicContact CB-CB 3.99Å; S327-H333 WeakPolarHBondContact O-CB 3.32Å; S327-H333 PolarHBondContact O-ND1 3.25Å; P329-H333 PolarHBondContact O-ND1 2.85Å; D330-H333 PolarHBondContact O-N 2.78Å; D330-H333 VanDerWaalsContact O-N 3.11Å
334	F	89.6	Confident	83.9	Confident	26 Å²	26	50 Å²	50	11%	0.114	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.4	174.7	175.9	-106.2	0	0	0	111.6	A301 A303 L319 I322 K323 A326 D330 N336	A301-F334 WeakPolarHBondContact O-CA 3.46Å; A303-F334 HydrophobicContact CB-CE2 4.04Å; A303-F334 HydrophobicContact CB-CZ 4.27Å; L319-F334 HydrophobicContact CD2-CZ 3.75Å; I322-F334 HydrophobicContact CB-CD2 4.33Å; I322-F334 HydrophobicContact CB-CE2 3.79Å; I322-F334 HydrophobicContact CG2-CD2 3.83Å; I322-F334 HydrophobicContact CG2-CE2 3.57Å; K323-F334 HydrophobicContact CB-CD2 4.48Å; K323-F334 HydrophobicContact CD-CE1 4.47Å; K323-F334 HydrophobicContact CG-CB 4.4Å; K323-F334 HydrophobicContact CG-CD1 3.78Å; K323-F334 HydrophobicContact CG-CD2 3.77Å; K323-F334 HydrophobicContact CG-CE1 3.92Å; K323-F334 HydrophobicContact CG-CE2 3.92Å; K323-F334 HydrophobicContact CG-CG 3.7Å; K323-F334 HydrophobicContact CG-CZ 3.98Å; A326-F334 HydrophobicContact CB-CB 4.13Å; D330-F334 WeakPolarHBondContact O-CB 2.94Å; D330-F334 PolarHBondContact O-N 3Å; F334-N336 HydrophobicContact CE1-CB 4.21Å; F334-N336 HydrophobicContact CZ-CB 3.99Å
335	F	88.2	Confident	83.6	Confident	20 Å²	20	51 Å²	51	9%	0.088	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.7	171.8	-64.7	-92.7	0	0	0	109.6	Y300 A301 I302 A303 I346 A349 L350	Y300-F335 AromaticContact CD1-CE2 3.95Å; Y300-F335 HydrophobicContact CD1-CE2 3.95Å; Y300-F335 HydrophobicContact CE1-CE2 4.41Å; A301-F335 PolarHBondContact O-N 2.7Å; I302-F335 CarbonylContact C-O 3.51Å; I302-F335 WeakPolarHBondContact CA-O 3.22Å; I302-F335 HydrophobicContact CG1-CB 4.26Å; A303-F335 PolarHBondContact N-O 3.1Å; F335-I346 HydrophobicContact CD1-CG2 4.49Å; F335-A349 HydrophobicContact CE1-CB 4.12Å; F335-L350 HydrophobicContact CD2-CD1 4.26Å; F335-L350 HydrophobicContact CE2-CD1 3.59Å; F335-L350 HydrophobicContact CZ-CB 4.32Å; F335-L350 HydrophobicContact CZ-CD1 4.12Å
336	N	88.4	Confident	83.3	Confident	89 Å²	89	51.9 Å²	51.9	48%	0.476	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.7	168.6	65.5	-21.4	0	0	0	110.3	A303 L319 F334	A303-N336 HydrophobicContact CB-CB 4.25Å; A303-N336 CarbonylContact O-C 3.59Å; A303-N336 WeakPolarHBondContact O-CA 3.2Å; L319-N336 HydrophobicContact CD2-CB 4.02Å; F334-N336 HydrophobicContact CE1-CB 4.21Å; F334-N336 HydrophobicContact CZ-CB 3.99Å
337	V	87.6	Confident	82.9	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.3	176.1	-62.1	0	0	0	0	109.9	A303 V304 L305 D339 A342 L343 I346	A303-V337 PolarHBondContact O-N 3.19Å; V304-V337 HydrophobicContact CB-CG2 4.07Å; V304-V337 HydrophobicContact CG1-CG2 4.08Å; V304-V337 HydrophobicContact CG2-CG2 3.83Å; L305-V337 VanDerWaalsContact CB-O 3.25Å; L305-V337 WeakPolarHBondContact CB-O 3.14Å; L305-V337 WeakPolarHBondContact CG-O 3.42Å; L305-V337 PolarHBondContact N-O 2.85Å; V337-D339 VanDerWaalsContact C-N 3.34Å; V337-D339 WeakPolarHBondContact CG2-O 3.31Å; V337-A342 HydrophobicContact CB-CB 4.08Å; V337-L343 HydrophobicContact CG1-CD2 4.22Å; V337-L343 HydrophobicContact CG2-CD2 3.84Å; V337-L343 HydrophobicContact CG2-CG 4.12Å; V337-I346 HydrophobicContact CG1-CD1 3.98Å; V337-I346 HydrophobicContact CG1-CG1 4.22Å; V337-I346 HydrophobicContact CG1-CG2 3.63Å
338	T	84.9	Confident	82.2	Confident	88 Å²	88	55.8 Å²	55.8	54%	0.54	30%	0.301	S	S	.	.	S	Bend	trans	-68.1	-34.6	-176.5	44.8	0	0	0	0	112.7	L305 G306 N309	L305-T338 CarbonylContact C-O 3.52Å; G306-T338 PolarHBondContact N-O 3.06Å; N309-T338 PolarHBondContact ND2-O 3.48Å
339	D	83.3	Confident	82.1	Confident	65 Å²	65	51.4 Å²	51.4	35%	0.348	28%	0.284	S	S	.	.	S	Bend	trans	-156.7	177.3	179.9	60.2	7.2	0	0	0	110.2	V337 A341 A342	V337-D339 VanDerWaalsContact C-N 3.34Å; V337-D339 WeakPolarHBondContact CG2-O 3.31Å; D339-A341 VanDerWaalsContact C-N 3.26Å; D339-A341 PolarHBondContact O-N 3.27Å; D339-A341 PolarHBondContact OD1-N 2.75Å; D339-A342 PolarHBondContact O-N 3.22Å; D339-A342 VanDerWaalsContact OD1-CB 3.24Å; D339-A342 WeakPolarHBondContact OD1-CB 3.35Å; D339-A342 PolarHBondContact OD1-N 2.8Å
340	E	83.9	Confident	82	Confident	5 Å²	5	48.6 Å²	48.6	2%	0.023	27%	0.265	C	S	.	.	S	Bend	trans	-63.6	-31.9	-179.1	-62.9	74.4	-174.2	0	0	112	E185 V304 R310 L343	E185-E340 HydrophobicContact CB-CB 3.8Å; E185-E340 HydrophobicContact CG-CB 4.26Å; V304-E340 HydrophobicContact CG1-CG 3.91Å; R310-E340 IonicContact CZ-OE1 3.95Å; R310-E340 IonicContact CZ-OE2 2.83Å; R310-E340 IonicContact NH1-OE1 3.82Å; R310-E340 PolarHBondContact NH1-OE1 3.13Å; R310-E340 IonicContact NH1-OE2 3.74Å; R310-E340 PolarHBondContact NH1-OE2 3.25Å; R310-E340 IonicContact NH2-OE1 3.52Å; R310-E340 PolarHBondContact NH2-OE1 2.76Å; R310-E340 IonicContact NH2-OE2 3.3Å; E340-L343 VanDerWaalsContact O-CB 3.3Å; E340-L343 WeakPolarHBondContact O-CB 3.45Å; E340-L343 WeakPolarHBondContact O-CD1 3.41Å; E340-L343 WeakPolarHBondContact O-CG 3.26Å; E340-L343 PolarHBondContact O-N 2.87Å
341	A	82.1	Confident	81.8	Confident	42 Å²	42	45.2 Å²	45.2	35%	0.347	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-35.6	179.4	0	0	0	0	0	112.7	D339 L343 K344	D339-A341 VanDerWaalsContact C-N 3.26Å; D339-A341 PolarHBondContact O-N 3.27Å; D339-A341 PolarHBondContact OD1-N 2.75Å; A341-L343 PolarHBondContact O-N 3.03Å; A341-L343 VanDerWaalsContact O-N 3.15Å; A341-K344 PolarHBondContact O-N 3.15Å
342	A	84	Confident	81.4	Confident	11 Å²	11	47.2 Å²	47.2	9%	0.091	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-7.7	176.5	0	0	0	0	0	114	V337 D339 K344 D345	V337-A342 HydrophobicContact CB-CB 4.08Å; D339-A342 PolarHBondContact O-N 3.22Å; D339-A342 VanDerWaalsContact OD1-CB 3.24Å; D339-A342 WeakPolarHBondContact OD1-CB 3.35Å; D339-A342 PolarHBondContact OD1-N 2.8Å; A342-K344 PolarHBondContact O-N 3.45Å; A342-D345 PolarHBondContact O-N 3.23Å; A342-D345 VanDerWaalsContact O-N 3.1Å
343	L	82.6	Confident	81.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-28.4	170.3	-74.3	171.7	0	0	0	112.2	V186 F189 I302 V304 V337 E340 A341 D345 I346	V186-L343 HydrophobicContact CG2-CD1 4.03Å; F189-L343 HydrophobicContact CB-CB 3.88Å; F189-L343 HydrophobicContact CB-CD1 4.27Å; F189-L343 HydrophobicContact CD2-CB 3.76Å; F189-L343 HydrophobicContact CD2-CD2 4.43Å; F189-L343 VanDerWaalsContact CD2-O 3.25Å; F189-L343 WeakPolarHBondContact CD2-O 3.08Å; F189-L343 HydrophobicContact CG-CB 3.94Å; F189-L343 HydrophobicContact CG-CD1 4.4Å; I302-L343 HydrophobicContact CG2-CD2 3.75Å; V304-L343 HydrophobicContact CG2-CD1 4.32Å; V304-L343 HydrophobicContact CG2-CD2 4.05Å; V304-L343 HydrophobicContact CG2-CG 4.44Å; V337-L343 HydrophobicContact CG1-CD2 4.22Å; V337-L343 HydrophobicContact CG2-CD2 3.84Å; V337-L343 HydrophobicContact CG2-CG 4.12Å; E340-L343 VanDerWaalsContact O-CB 3.3Å; E340-L343 WeakPolarHBondContact O-CB 3.45Å; E340-L343 WeakPolarHBondContact O-CD1 3.41Å; E340-L343 WeakPolarHBondContact O-CG 3.26Å; E340-L343 PolarHBondContact O-N 2.87Å; A341-L343 PolarHBondContact O-N 3.03Å; A341-L343 VanDerWaalsContact O-N 3.15Å; L343-D345 VanDerWaalsContact C-N 3.26Å; L343-D345 PolarHBondContact O-N 2.9Å; L343-I346 HydrophobicContact CD2-CD1 3.81Å; L343-I346 HydrophobicContact CD2-CG1 4.48Å; L343-I346 WeakPolarHBondContact O-CG1 3.48Å; L343-I346 PolarHBondContact O-N 3.27Å
344	K	80.1	Confident	80.3	Confident	76 Å²	76	45.3 Å²	45.3	33%	0.33	24%	0.243	S	C	.	.	H	α-helix	trans	-63.1	-32.1	177	-72.3	168.9	173.6	150.9	0	112.5	E185 D188 A341 A342 I346 V347	E185-K344 IonicContact OE2-NZ 3.27Å; E185-K344 PolarHBondContact OE2-NZ 3.33Å; D188-K344 WeakPolarHBondContact OD2-CE 3.44Å; D188-K344 IonicContact OD2-NZ 2.82Å; D188-K344 PolarHBondContact OD2-NZ 2.93Å; A341-K344 PolarHBondContact O-N 3.15Å; A342-K344 PolarHBondContact O-N 3.45Å; K344-I346 VanDerWaalsContact C-N 3.35Å; K344-I346 PolarHBondContact O-N 3.13Å; K344-V347 PolarHBondContact O-N 2.79Å
345	D	81.3	Confident	78.8	Confident	131 Å²	131	45.5 Å²	45.5	70%	0.701	24%	0.244	S	C	*	.	H	α-helix	trans	-74.7	-25.7	-176.4	-61.5	-26	0	0	0	112.7	A342 L343	A342-D345 PolarHBondContact O-N 3.23Å; A342-D345 VanDerWaalsContact O-N 3.1Å; L343-D345 VanDerWaalsContact C-N 3.26Å; L343-D345 PolarHBondContact O-N 2.9Å
346	I	83.4	Confident	77.1	Confident	18 Å²	18	47.7 Å²	47.7	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-86.3	-11.1	179.9	63	161.6	0	0	0	113.3	F189 I302 F335 V337 L343 K344 D348 A349 L350	F189-I346 HydrophobicContact CE2-CD1 3.98Å; F189-I346 HydrophobicContact CE2-CG1 3.99Å; F189-I346 HydrophobicContact CZ-CD1 4.48Å; I302-I346 HydrophobicContact CD1-CD1 3.95Å; I302-I346 HydrophobicContact CG1-CD1 4.22Å; I302-I346 HydrophobicContact CG2-CD1 3.69Å; F335-I346 HydrophobicContact CD1-CG2 4.49Å; V337-I346 HydrophobicContact CG1-CD1 3.98Å; V337-I346 HydrophobicContact CG1-CG1 4.22Å; V337-I346 HydrophobicContact CG1-CG2 3.63Å; L343-I346 HydrophobicContact CD2-CD1 3.81Å; L343-I346 HydrophobicContact CD2-CG1 4.48Å; L343-I346 WeakPolarHBondContact O-CG1 3.48Å; L343-I346 PolarHBondContact O-N 3.27Å; K344-I346 VanDerWaalsContact C-N 3.35Å; K344-I346 PolarHBondContact O-N 3.13Å; I346-D348 VanDerWaalsContact C-N 3.33Å; I346-D348 PolarHBondContact O-N 2.93Å; I346-A349 PolarHBondContact O-N 2.84Å; I346-L350 WeakPolarHBondContact O-CB 3.41Å; I346-L350 PolarHBondContact O-N 2.79Å
347	V	81.1	Confident	75.5	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.036	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-45	-176.6	174.5	0	0	0	0	111.5	F189 N192 I193 K196 K344 G351	F189-V347 HydrophobicContact CD2-CG2 3.61Å; F189-V347 HydrophobicContact CE2-CG2 3.83Å; N192-V347 HydrophobicContact CB-CG1 4.23Å; N192-V347 HydrophobicContact CB-CG2 4.12Å; I193-V347 HydrophobicContact CB-CG1 4.33Å; K196-V347 HydrophobicContact CG-CG1 4.13Å; K344-V347 PolarHBondContact O-N 2.79Å; V347-G351 PolarHBondContact O-N 3.15Å
348	D	74	Confident	73.7	Confident	95 Å²	95	44.9 Å²	44.9	51%	0.508	25%	0.246	S	C	.	.	H	α-helix	trans	-68.6	-43.2	179.8	-72.7	-30.8	0	0	0	111.2	K196 I346 G351 E352	K196-D348 VanDerWaalsContact CE-OD1 3.25Å; K196-D348 WeakPolarHBondContact CE-OD1 3.49Å; K196-D348 IonicContact NZ-OD1 3.56Å; K196-D348 PolarHBondContact NZ-OD1 2.79Å; I346-D348 VanDerWaalsContact C-N 3.33Å; I346-D348 PolarHBondContact O-N 2.93Å; D348-G351 PolarHBondContact O-N 3.04Å; D348-E352 WeakPolarHBondContact O-CB 3.47Å; D348-E352 VanDerWaalsContact O-CG 3.31Å; D348-E352 WeakPolarHBondContact O-CG 3.43Å; D348-E352 PolarHBondContact O-N 2.88Å
349	A	77.8	Confident	71.7	Confident	45 Å²	45	41.4 Å²	41.4	37%	0.372	23%	0.228	S	C	.	.	H	α-helix	trans	-65.1	-43.2	178.9	0	0	0	0	0	112.4	F335 I346 R353	F335-A349 HydrophobicContact CE1-CB 4.12Å; I346-A349 PolarHBondContact O-N 2.84Å; A349-R353 WeakPolarHBondContact O-CG 3.39Å; A349-R353 PolarHBondContact O-N 2.69Å; A349-R353 VanDerWaalsContact O-N 3.09Å
350	L	79	Confident	69.7	Low	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.8	-41.3	178.3	-177.3	63.1	0	0	0	111.3	F189 I193 I272 Y300 I302 F335 I346 R353 I354	F189-L350 HydrophobicContact CE2-CD2 4.48Å; F189-L350 HydrophobicContact CZ-CD2 3.97Å; I193-L350 HydrophobicContact CD1-CD2 3.48Å; I193-L350 VanDerWaalsContact CD1-CD2 3.48Å; I193-L350 HydrophobicContact CD1-CG 4.12Å; I272-L350 HydrophobicContact CG2-CD2 4.47Å; Y300-L350 HydrophobicContact CD1-CD1 3.76Å; Y300-L350 HydrophobicContact CE1-CD1 4.27Å; Y300-L350 HydrophobicContact CG-CD1 4.01Å; I302-L350 HydrophobicContact CD1-CD2 3.73Å; F335-L350 HydrophobicContact CD2-CD1 4.26Å; F335-L350 HydrophobicContact CE2-CD1 3.59Å; F335-L350 HydrophobicContact CZ-CB 4.32Å; F335-L350 HydrophobicContact CZ-CD1 4.12Å; I346-L350 WeakPolarHBondContact O-CB 3.41Å; I346-L350 PolarHBondContact O-N 2.79Å; L350-R353 PolarHBondContact O-N 3.38Å; L350-I354 HydrophobicContact CD1-CD1 3.95Å; L350-I354 HydrophobicContact CD1-CG1 4.35Å; L350-I354 HydrophobicContact CG-CD1 3.87Å; L350-I354 WeakPolarHBondContact O-CB 3.15Å; L350-I354 VanDerWaalsContact O-CG1 3.25Å; L350-I354 WeakPolarHBondContact O-CG1 3.25Å; L350-I354 PolarHBondContact O-N 3.42Å
351	G	69.6	Low	68	Low	2 Å²	2	44 Å²	44	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-55.9	-56.6	173.1	0	0	0	0	0	111.5	V347 D348 R353 I354 F355	V347-G351 PolarHBondContact O-N 3.15Å; D348-G351 PolarHBondContact O-N 3.04Å; G351-R353 VanDerWaalsContact C-N 3.32Å; G351-R353 PolarHBondContact O-N 3.44Å; G351-I354 PolarHBondContact O-N 3.13Å; G351-I354 VanDerWaalsContact O-N 3.12Å; G351-F355 WeakPolarHBondContact O-CD2 3.21Å; G351-F355 WeakPolarHBondContact O-CE2 3.16Å; G351-F355 WeakPolarHBondContact O-CG 3.35Å; G351-F355 PolarHBondContact O-N 2.97Å
352	E	66.7	Low	66.1	Low	141 Å²	141	52.3 Å²	52.3	66%	0.659	28%	0.278	S	S	*	.	H	α-helix	trans	-57.8	-40.4	179.1	-71.9	-65.9	150	0	0	112.8	D348 F355 S356	D348-E352 WeakPolarHBondContact O-CB 3.47Å; D348-E352 VanDerWaalsContact O-CG 3.31Å; D348-E352 WeakPolarHBondContact O-CG 3.43Å; D348-E352 PolarHBondContact O-N 2.88Å; E352-F355 PolarHBondContact O-N 3.12Å; E352-S356 PolarHBondContact O-N 3.35Å
353	R	71.8	Confident	64.1	Low	83 Å²	83	58.9 Å²	58.9	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-40.3	175.9	-73.5	-166.6	-168.2	172.3	-10.8	112.2	Y300 D331 K332 A349 L350 G351 S356	Y300-R353 HydrophobicContact CE1-CB 4.32Å; D331-R353 PolarHBondContact O-NH1 3.13Å; D331-R353 PolarHBondContact O-NH2 2.97Å; K332-R353 WeakPolarHBondContact O-CD 3.29Å; K332-R353 PolarHBondContact O-NH1 2.82Å; A349-R353 WeakPolarHBondContact O-CG 3.39Å; A349-R353 PolarHBondContact O-N 2.69Å; A349-R353 VanDerWaalsContact O-N 3.09Å; L350-R353 PolarHBondContact O-N 3.38Å; G351-R353 VanDerWaalsContact C-N 3.32Å; G351-R353 PolarHBondContact O-N 3.44Å; R353-S356 PolarHBondContact O-N 2.65Å; R353-S356 PolarHBondContact O-OG 3.31Å
354	I	66.9	Low	62.4	Low	1 Å²	1	60.5 Å²	60.5	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-68.4	-40.8	176.8	-68	169.6	0	0	0	110.8	M168 I170 F197 I272 Y300 L350 G351 S356 L357	M168-I354 HydrophobicContact CE-CG2 3.96Å; I170-I354 HydrophobicContact CD1-CG2 4.08Å; F197-I354 HydrophobicContact CE1-CD1 4.19Å; F197-I354 HydrophobicContact CE1-CG2 4.09Å; F197-I354 HydrophobicContact CZ-CD1 3.93Å; I272-I354 HydrophobicContact CD1-CD1 3.68Å; Y300-I354 HydrophobicContact CD2-CG1 4.44Å; Y300-I354 HydrophobicContact CE2-CG1 3.94Å; L350-I354 HydrophobicContact CD1-CD1 3.95Å; L350-I354 HydrophobicContact CD1-CG1 4.35Å; L350-I354 HydrophobicContact CG-CD1 3.87Å; L350-I354 WeakPolarHBondContact O-CB 3.15Å; L350-I354 VanDerWaalsContact O-CG1 3.25Å; L350-I354 WeakPolarHBondContact O-CG1 3.25Å; L350-I354 PolarHBondContact O-N 3.42Å; G351-I354 PolarHBondContact O-N 3.13Å; G351-I354 VanDerWaalsContact O-N 3.12Å; I354-S356 VanDerWaalsContact C-N 3.29Å; I354-S356 PolarHBondContact O-N 3.45Å; I354-L357 VanDerWaalsContact O-CB 3.29Å; I354-L357 WeakPolarHBondContact O-CB 3.38Å; I354-L357 PolarHBondContact O-N 2.6Å; I354-L357 VanDerWaalsContact O-N 3.09Å
355	F	58.1	Low	61	Low	30 Å²	30	62.8 Å²	62.8	13%	0.132	35%	0.349	C	S	.	.	H	α-helix	trans	-66.3	-29.4	176.7	-63.7	-52.5	0	0	0	113	S136 K196 F197 I204 G351 E352 L357 E358	S136-F355 WeakPolarHBondContact OG-CD1 3.2Å; K196-F355 HydrophobicContact CB-CE2 4.38Å; K196-F355 HydrophobicContact CB-CZ 4.29Å; K196-F355 WeakPolarHBondContact O-CZ 3.2Å; F197-F355 HydrophobicContact CD1-CE1 4.1Å; F197-F355 AromaticContact CD1-CZ 3.86Å; F197-F355 HydrophobicContact CD1-CZ 3.86Å; F197-F355 HydrophobicContact CE1-CZ 4.38Å; I204-F355 HydrophobicContact CD1-CE1 4.43Å; G351-F355 WeakPolarHBondContact O-CD2 3.21Å; G351-F355 WeakPolarHBondContact O-CE2 3.16Å; G351-F355 WeakPolarHBondContact O-CG 3.35Å; G351-F355 PolarHBondContact O-N 2.97Å; E352-F355 PolarHBondContact O-N 3.12Å; F355-L357 PolarHBondContact O-N 3.04Å; F355-L357 VanDerWaalsContact O-N 3.12Å; F355-E358 WeakPolarHBondContact O-CB 3.44Å; F355-E358 PolarHBondContact O-N 3.08Å
356	S	53.3	Low	59.9	Low	66 Å²	66	58.2 Å²	58.2	46%	0.462	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.7	173	81.6	0	0	0	0	113.7	E352 R353 I354 T360	E352-S356 PolarHBondContact O-N 3.35Å; R353-S356 PolarHBondContact O-N 2.65Å; R353-S356 PolarHBondContact O-OG 3.31Å; I354-S356 VanDerWaalsContact C-N 3.29Å; I354-S356 PolarHBondContact O-N 3.45Å; S356-T360 VanDerWaalsContact O-CG2 3.25Å; S356-T360 WeakPolarHBondContact O-CG2 3.32Å; S356-T360 PolarHBondContact O-OG1 3.5Å
357	L	53.8	Low	59	Low	22 Å²	22	61 Å²	61	12%	0.115	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-17.9	175.9	-62.7	172	0	0	0	113.5	M168 K268 V270 Y300 I354 F355	M168-L357 HydrophobicContact CE-CB 4.19Å; M168-L357 HydrophobicContact CE-CD1 4.29Å; K268-L357 HydrophobicContact CD-CB 4.29Å; K268-L357 VanDerWaalsContact NZ-CD2 3.26Å; V270-L357 HydrophobicContact CG2-CD1 4.27Å; Y300-L357 HydrophobicContact CE2-CD1 4.16Å; Y300-L357 WeakPolarHBondContact OH-CD1 3.38Å; I354-L357 VanDerWaalsContact O-CB 3.29Å; I354-L357 WeakPolarHBondContact O-CB 3.38Å; I354-L357 PolarHBondContact O-N 2.6Å; I354-L357 VanDerWaalsContact O-N 3.09Å; F355-L357 PolarHBondContact O-N 3.04Å; F355-L357 VanDerWaalsContact O-N 3.12Å
358	E	49.4	Very low	58.8	Low	16 Å²	16	61.9 Å²	61.9	8%	0.075	35%	0.35	C	S	.	.	S	Bend	trans	-80.1	-15.7	177.5	-64.5	-172.6	156.5	0	0	112.9	S136 Y139 M168 F355	S136-E358 PolarHBondContact N-OE2 3.48Å; S136-E358 VanDerWaalsContact N-OE2 3.09Å; S136-E358 PolarHBondContact OG-OE2 2.81Å; Y139-E358 PolarHBondContact OH-O 2.55Å; M168-E358 HydrophobicContact CG-CG 4.46Å; M168-E358 HydrophobicContact SD-CG 3.47Å; M168-E358 WeakPolarHBondContact SD-CG 3.2Å; F355-E358 WeakPolarHBondContact O-CB 3.44Å; F355-E358 PolarHBondContact O-N 3.08Å
359	G	42.6	Very low	59.4	Low	15 Å²	15	57.5 Å²	57.5	16%	0.155	33%	0.327	C	S	.	.	S	Bend	trans	-112.6	3.2	-175.4	0	0	0	0	0	115.3
360	T	42.8	Very low	59.7	Low	41 Å²	41	56.7 Å²	56.7	25%	0.252	32%	0.315	S	S	.	.			trans	-115.3	127.5	-168.2	45.1	0	0	0	0	113.2	S356	S356-T360 VanDerWaalsContact O-CG2 3.25Å; S356-T360 WeakPolarHBondContact O-CG2 3.32Å; S356-T360 PolarHBondContact O-OG1 3.5Å
361	S	47.4	Very low	60	Low	82 Å²	82	58.5 Å²	58.5	57%	0.573	32%	0.324	S	S	*	.			trans	-60.9	167.9	162.4	70.1	0	0	0	0	110.3	N363 G364	S361-N363 PolarHBondContact O-N 3.28Å; S361-G364 PolarHBondContact O-N 3.4Å
362	K	43	Very low	60.9	Low	217 Å²	217	58.4 Å²	58.4	94%	0.943	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.5	-17.4	-173.9	-74.1	-176.7	174.5	-177.3	0	117
363	N	40.9	Very low	62.2	Low	150 Å²	150	53.5 Å²	53.5	80%	0.802	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	11.5	-179.6	-68.1	5	0	0	0	115.4	S361	S361-N363 PolarHBondContact O-N 3.28Å
364	G	47.7	Very low	63.3	Low	33 Å²	33	49.6 Å²	49.6	34%	0.34	29%	0.286	S	S	.	.	S	Bend	trans	56.3	79.1	161.7	0	0	0	0	0	116.3	S361	S361-G364 PolarHBondContact O-N 3.4Å
365	T	51	Low	64.6	Low	125 Å²	125	49.5 Å²	49.5	77%	0.767	29%	0.286	S	S	*	.	S	Bend	trans	165.3	-12.6	152.6	36.5	0	0	0	0	116
366	A	58.4	Low	66.4	Low	35 Å²	35	49.7 Å²	49.7	29%	0.289	29%	0.287	S	S	.	.			trans	-112.9	136.4	-168.7	0	0	0	0	0	115.1	D394	A366-D394 WeakPolarHBondContact CA-OD1 3.01Å; A366-D394 WeakPolarHBondContact CB-OD2 3.41Å
367	F	64.4	Low	68.4	Low	77 Å²	77	47.2 Å²	47.2	34%	0.338	27%	0.269	S	S	.	.			trans	-77.4	126.3	170	-63.8	-71.1	0	0	0	110.9	Q370 M371 Y393 D394 W395	F367-Q370 HydrophobicContact CD1-CB 4.31Å; F367-M371 HydrophobicContact CD1-CG 4.13Å; F367-M371 HydrophobicContact CE1-CG 4.36Å; F367-M371 HydrophobicContact CG-CG 4.33Å; F367-Y393 CarbonylContact O-C 3.57Å; F367-Y393 VanDerWaalsContact O-CA 3.29Å; F367-Y393 WeakPolarHBondContact O-CA 3.43Å; F367-D394 PolarHBondContact N-OD1 3.01Å; F367-D394 PolarHBondContact O-N 2.99Å; F367-W395 HydrophobicContact CD2-CH2 4.04Å; F367-W395 AromaticContact CD2-CZ3 3.8Å; F367-W395 HydrophobicContact CD2-CZ3 3.8Å; F367-W395 HydrophobicContact CE2-CH2 4.11Å; F367-W395 HydrophobicContact CE2-CZ3 4.17Å
368	G	77	Confident	70.4	Confident	23 Å²	23	46.8 Å²	46.8	24%	0.237	27%	0.269	C	S	.	.	S	Bend	trans	-82	-102.2	168.6	0	0	0	0	0	111.1	Q370 A392 Y393	G368-Q370 VanDerWaalsContact C-OE1 3.29Å; G368-A392 CarbonylContact O-C 3.6Å; G368-Y393 PolarHBondContact O-N 3.1Å
369	L	85.4	Confident	72.6	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	27%	0.274	C	S	.	.	S	Bend	trans	-103.5	0.4	-179.6	-64.3	177.5	0	0	0	113.9	A160 M371 S372 A392 Y393 I409	A160-L369 HydrophobicContact CB-CB 4.33Å; L369-M371 PolarHBondContact O-N 3.4Å; L369-S372 WeakPolarHBondContact O-CB 3.18Å; L369-S372 PolarHBondContact O-N 2.82Å; L369-S372 PolarHBondContact O-OG 2.69Å; L369-A392 HydrophobicContact CD2-CB 3.63Å; L369-Y393 HydrophobicContact CD2-CE1 4.43Å; L369-I409 HydrophobicContact CD1-CD1 3.98Å; L369-I409 HydrophobicContact CD1-CG2 3.78Å
370	Q	84.3	Confident	75.1	Confident	27 Å²	27	48.6 Å²	48.6	13%	0.126	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.7	-175.7	-68.2	84	-10.9	0	0	112.7	Y139 S140 T141 F367 G368	Y139-Q370 CarbonylContact C-O 3.49Å; Y139-Q370 WeakPolarHBondContact CA-O 3.32Å; Y139-Q370 WeakPolarHBondContact CB-O 3.24Å; Y139-Q370 HydrophobicContact CD1-CB 3.74Å; Y139-Q370 HydrophobicContact CD1-CG 4Å; Y139-Q370 HydrophobicContact CD2-CB 4.12Å; Y139-Q370 HydrophobicContact CD2-CG 3.78Å; Y139-Q370 HydrophobicContact CE1-CB 4.04Å; Y139-Q370 HydrophobicContact CE1-CG 3.87Å; Y139-Q370 HydrophobicContact CE2-CB 4.37Å; Y139-Q370 HydrophobicContact CE2-CG 3.62Å; Y139-Q370 HydrophobicContact CG-CB 3.8Å; Y139-Q370 HydrophobicContact CG-CG 3.97Å; S140-Q370 CarbonylContact C-O 3.57Å; S140-Q370 PolarHBondContact N-O 3.39Å; T141-Q370 WeakPolarHBondContact CG2-O 3.36Å; F367-Q370 HydrophobicContact CD1-CB 4.31Å; G368-Q370 VanDerWaalsContact C-OE1 3.29Å
371	M	85.6	Confident	77.4	Confident	38 Å²	38	47.6 Å²	47.6	19%	0.187	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	22.9	178.9	-61.3	-55.6	-72.4	0	0	112.7	S140 F367 L369 Q373 G391 W395	S140-M371 CarbonylContact O-C 3.57Å; S140-M371 VanDerWaalsContact O-C 3.27Å; F367-M371 HydrophobicContact CD1-CG 4.13Å; F367-M371 HydrophobicContact CE1-CG 4.36Å; F367-M371 HydrophobicContact CG-CG 4.33Å; L369-M371 PolarHBondContact O-N 3.4Å; M371-Q373 VanDerWaalsContact C-N 3.27Å; M371-Q373 PolarHBondContact O-N 2.88Å; M371-Q373 VanDerWaalsContact O-N 3.15Å; M371-G391 CarbonylContact O-C 3.37Å; M371-G391 WeakPolarHBondContact O-CA 3.37Å; M371-W395 HydrophobicContact CB-CZ2 4.36Å
372	S	89	Confident	79.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.			trans	-58.8	-29.3	-169.8	52.4	0	0	0	0	115.9	S140 T141 A160 L369 A374 A389 V390 G391	S140-S372 PolarHBondContact O-N 3.21Å; T141-S372 WeakPolarHBondContact CA-OG 3.42Å; T141-S372 PolarHBondContact O-OG 3.09Å; A160-S372 WeakPolarHBondContact CB-OG 3.36Å; L369-S372 WeakPolarHBondContact O-CB 3.18Å; L369-S372 PolarHBondContact O-N 2.82Å; L369-S372 PolarHBondContact O-OG 2.69Å; S372-A374 PolarHBondContact O-N 2.86Å; S372-A389 CarbonylContact O-C 3.54Å; S372-A389 WeakPolarHBondContact O-CA 3.47Å; S372-V390 PolarHBondContact O-N 2.95Å; S372-V390 VanDerWaalsContact O-N 3.12Å; S372-G391 PolarHBondContact O-N 2.97Å
373	Q	92.9	Very high	81.3	Confident	38 Å²	38	43.1 Å²	43.1	18%	0.178	24%	0.243	C	C	.	.			trans	48.1	44.2	-174.1	-60.9	179.5	-171.7	0	0	112.9	P128 L129 S140 M371 F376 V390	P128-Q373 HydrophobicContact CB-CB 4.35Å; P128-Q373 VanDerWaalsContact O-CA 3.29Å; P128-Q373 WeakPolarHBondContact O-CA 3.47Å; P128-Q373 WeakPolarHBondContact O-CB 3.31Å; L129-Q373 HydrophobicContact CD2-CG 4.12Å; S140-Q373 PolarHBondContact O-N 3.23Å; M371-Q373 VanDerWaalsContact C-N 3.27Å; M371-Q373 PolarHBondContact O-N 2.88Å; M371-Q373 VanDerWaalsContact O-N 3.15Å; Q373-F376 PolarHBondContact O-N 2.77Å; Q373-V390 HydrophobicContact CB-CG2 4Å
374	A	94.4	Very high	83.7	Confident	1 Å²	1	37 Å²	37	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	137	-179.8	0	0	0	0	0	111.4	T141 G142 P159 A160 S372 V387 G388 A389 L400	T141-A374 VanDerWaalsContact O-CB 3.31Å; T141-A374 WeakPolarHBondContact O-CB 3.33Å; T141-A374 PolarHBondContact O-N 2.75Å; G142-A374 CarbonylContact C-O 3.59Å; G142-A374 WeakPolarHBondContact CA-O 3.41Å; P159-A374 HydrophobicContact CG-CB 4.18Å; A160-A374 HydrophobicContact CB-CB 3.91Å; S372-A374 PolarHBondContact O-N 2.86Å; A374-V387 HydrophobicContact CB-CG2 4.27Å; A374-G388 WeakPolarHBondContact CA-O 2.99Å; A374-A389 HydrophobicContact CB-CB 4.11Å; A374-L400 HydrophobicContact CB-CD1 4.04Å
375	G	94.5	Very high	85.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.4	11.5	-172.6	0	0	0	0	0	113.4	T113 C126 S377 G388	T113-G375 WeakPolarHBondContact CB-O 3.34Å; T113-G375 PolarHBondContact OG1-O 3.4Å; T113-G375 VanDerWaalsContact OG1-O 3.08Å; C126-G375 WeakPolarHBondContact CB-O 3.45Å; G375-S377 PolarHBondContact O-N 3.3Å; G375-G388 PolarHBondContact N-O 2.86Å
376	F	95.5	Very high	88	Confident	34 Å²	34	29.8 Å²	29.8	15%	0.149	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	-40.2	169.6	-167.9	-83.3	0	0	0	111.1	M112 T113 P128 Q373 G388 V390 Y434	M112-F376 HydrophobicContact CE-CD2 4.34Å; M112-F376 HydrophobicContact CE-CE2 3.67Å; M112-F376 HydrophobicContact CE-CZ 3.8Å; T113-F376 PolarHBondContact OG1-O 2.9Å; P128-F376 HydrophobicContact CB-CB 4.26Å; P128-F376 HydrophobicContact CB-CD2 4.3Å; P128-F376 HydrophobicContact CG-CD2 4.38Å; Q373-F376 PolarHBondContact O-N 2.77Å; F376-G388 PolarHBondContact N-O 3.33Å; F376-V390 HydrophobicContact CB-CG1 3.98Å; F376-V390 HydrophobicContact CB-CG2 4.07Å; F376-V390 HydrophobicContact CD1-CG1 3.8Å; F376-V390 HydrophobicContact CD2-CG1 4.4Å; F376-V390 HydrophobicContact CD2-CG2 3.78Å; F376-V390 HydrophobicContact CE1-CG1 4.44Å; F376-V390 HydrophobicContact CE2-CG2 4.43Å; F376-V390 HydrophobicContact CG-CG1 3.78Å; F376-V390 HydrophobicContact CG-CG2 3.91Å; F376-Y434 HydrophobicContact CD1-CD2 4.17Å; F376-Y434 HydrophobicContact CD1-CE2 4.44Å; F376-Y434 HydrophobicContact CD1-CG 4.3Å; F376-Y434 AromaticContact CE1-CD1 3.97Å; F376-Y434 HydrophobicContact CE1-CD1 3.97Å; F376-Y434 AromaticContact CE1-CD2 3.4Å; F376-Y434 HydrophobicContact CE1-CD2 3.4Å; F376-Y434 VanDerWaalsContact CE1-CD2 3.4Å; F376-Y434 AromaticContact CE1-CE1 3.87Å; F376-Y434 HydrophobicContact CE1-CE1 3.87Å; F376-Y434 AromaticContact CE1-CE2 3.3Å; F376-Y434 HydrophobicContact CE1-CE2 3.3Å; F376-Y434 AromaticContact CE1-CG 3.75Å; F376-Y434 HydrophobicContact CE1-CG 3.75Å; F376-Y434 AromaticContact CE1-CZ 3.54Å; F376-Y434 AromaticContact CZ-CD2 3.85Å; F376-Y434 HydrophobicContact CZ-CD2 3.85Å; F376-Y434 HydrophobicContact CZ-CE1 4.5Å; F376-Y434 AromaticContact CZ-CE2 3.37Å; F376-Y434 HydrophobicContact CZ-CE2 3.37Å; F376-Y434 AromaticContact CZ-CZ 3.74Å
377	S	96.1	Very high	89.8	Confident	13 Å²	13	28.1 Å²	28.1	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	159.9	163.4	59.9	0	0	0	0	109.7	G375 V387 G388 G433 Y434 V436	G375-S377 PolarHBondContact O-N 3.3Å; S377-V387 CarbonylContact O-C 3.53Å; S377-V387 WeakPolarHBondContact O-CA 3.47Å; S377-G388 PolarHBondContact O-N 3.04Å; S377-G433 PolarHBondContact OG-O 2.73Å; S377-Y434 VanDerWaalsContact CB-O 3.23Å; S377-Y434 WeakPolarHBondContact CB-O 3.4Å; S377-Y434 PolarHBondContact OG-O 2.97Å; S377-V436 WeakPolarHBondContact OG-CG2 3.5Å; S377-V436 PolarHBondContact OG-N 2.92Å
378	A	96.4	Very high	91.2	Very high	13 Å²	13	24.4 Å²	24.4	11%	0.107	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	150.6	179.2	0	0	0	0	0	110.6	T113 V115 I385 L386 V387	T113-A378 HydrophobicContact CG2-CB 3.95Å; V115-A378 HydrophobicContact CG2-CB 3.84Å; V115-A378 VanDerWaalsContact CG2-O 3.3Å; V115-A378 WeakPolarHBondContact CG2-O 3.21Å; A378-I385 HydrophobicContact CB-CD1 4.15Å; A378-I385 HydrophobicContact CB-CG1 4.49Å; A378-L386 CarbonylContact C-O 3.55Å; A378-L386 VanDerWaalsContact CA-O 3.28Å; A378-L386 WeakPolarHBondContact CA-O 3.3Å; A378-V387 HydrophobicContact CB-CG1 4.26Å
379	H	95.8	Very high	92	Very high	40 Å²	40	23.3 Å²	23.3	19%	0.185	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	136.4	176.9	-176.5	55.5	0	0	0	111.3	V381 L386 V436 T437 S438 R446	H379-V381 PolarHBondContact O-N 2.68Å; H379-L386 PolarHBondContact N-O 3.08Å; H379-L386 PolarHBondContact O-N 2.73Å; H379-V436 HydrophobicContact CB-CG2 3.89Å; H379-T437 VanDerWaalsContact CD2-C 3.48Å; H379-S438 WeakPolarHBondContact NE2-CB 3.33Å; H379-S438 PolarHBondContact NE2-N 3.07Å; H379-S438 PolarHBondContact NE2-OG 2.75Å; H379-R446 PolarHBondContact CD2-NH2 2.83Å; H379-R446 PolarHBondContact NE2-NH2 3.35Å
380	N	93.7	Very high	92.3	Very high	30 Å²	30	23.7 Å²	23.7	16%	0.16	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.4	178.5	-69.3	-36.6	0	0	0	110.6	V115 S116 N117 R446	V115-N380 WeakPolarHBondContact CG1-ND2 3.35Å; S116-N380 PolarHBondContact O-ND2 2.96Å; N117-N380 WeakPolarHBondContact CA-ND2 3.4Å; N117-N380 WeakPolarHBondContact CB-ND2 3.48Å; N380-R446 PolarHBondContact O-NH1 3.1Å; N380-R446 PolarHBondContact O-NH2 3.18Å
381	V	91.3	Very high	92.4	Very high	19 Å²	19	22.4 Å²	22.4	12%	0.115	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	164.8	172.2	-67.3	0	0	0	0	109.5	H379 D383 G384 L386 K401 R446 L448	H379-V381 PolarHBondContact O-N 2.68Å; V381-D383 VanDerWaalsContact C-N 3.28Å; V381-D383 PolarHBondContact O-N 3.18Å; V381-G384 WeakPolarHBondContact CG2-O 3.4Å; V381-G384 PolarHBondContact N-O 2.84Å; V381-G384 VanDerWaalsContact N-O 3.12Å; V381-G384 PolarHBondContact O-N 2.9Å; V381-L386 HydrophobicContact CG1-CB 3.91Å; V381-K401 HydrophobicContact CG2-CD 4.11Å; V381-K401 HydrophobicContact CG2-CG 4.2Å; V381-R446 VanDerWaalsContact CA-NH2 3.3Å; V381-L448 HydrophobicContact CG1-CD2 4.07Å
382	E	85.4	Confident	92.5	Very high	158 Å²	158	20.6 Å²	20.6	74%	0.738	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-38	-176.2	-67.4	173.7	-169	0	0	113.4
383	D	87.3	Confident	92.1	Very high	48 Å²	48	21.9 Å²	21.9	26%	0.257	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	8.8	-174.3	67.9	-26.8	0	0	0	114.4	V381 K401 T403 R404 N468	V381-D383 VanDerWaalsContact C-N 3.28Å; V381-D383 PolarHBondContact O-N 3.18Å; D383-K401 IonicContact OD1-NZ 3.8Å; D383-K401 PolarHBondContact OD1-NZ 3.43Å; D383-K401 IonicContact OD2-NZ 2.86Å; D383-K401 PolarHBondContact OD2-NZ 2.93Å; D383-T403 WeakPolarHBondContact O-CA 3.28Å; D383-T403 WeakPolarHBondContact OD2-CG2 3.46Å; D383-R404 PolarHBondContact O-N 2.97Å; D383-N468 PolarHBondContact OD2-ND2 3.18Å; D383-N468 PolarHBondContact OD2-OD1 3.31Å; D383-N468 VanDerWaalsContact OD2-OD1 3.09Å
384	G	91	Very high	91.4	Very high	22 Å²	22	21.1 Å²	21.1	23%	0.227	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-142.1	-173.5	0	0	0	0	0	115.5	V381 E402	V381-G384 WeakPolarHBondContact CG2-O 3.4Å; V381-G384 PolarHBondContact N-O 2.84Å; V381-G384 VanDerWaalsContact N-O 3.12Å; V381-G384 PolarHBondContact O-N 2.9Å; G384-E402 CarbonylContact C-O 3.54Å; G384-E402 WeakPolarHBondContact CA-O 3.28Å
385	I	93.9	Very high	90.7	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.026	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136	176.1	-168.7	159.7	0	0	0	110.8	V124 I157 A378 V387 K401 E402	V124-I385 HydrophobicContact CB-CD1 3.64Å; V124-I385 HydrophobicContact CG1-CD1 3.77Å; V124-I385 HydrophobicContact CG2-CD1 3.55Å; I157-I385 HydrophobicContact CD1-CG2 4.07Å; I157-I385 HydrophobicContact CG2-CG2 4.29Å; A378-I385 HydrophobicContact CB-CD1 4.15Å; A378-I385 HydrophobicContact CB-CG1 4.49Å; I385-V387 HydrophobicContact CG1-CG1 4.35Å; I385-V387 HydrophobicContact CG2-CG1 4.49Å; I385-K401 WeakPolarHBondContact O-CA 3.43Å; I385-E402 HydrophobicContact CG2-CB 3.9Å; I385-E402 PolarHBondContact N-O 2.73Å; I385-E402 PolarHBondContact O-N 2.72Å
386	L	95.5	Very high	89.9	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.3	169.3	-171.6	73.3	0	0	0	108.1	A378 H379 V381 V399 L400 K401 V436 L448 L466	A378-L386 CarbonylContact C-O 3.55Å; A378-L386 VanDerWaalsContact CA-O 3.28Å; A378-L386 WeakPolarHBondContact CA-O 3.3Å; H379-L386 PolarHBondContact N-O 3.08Å; H379-L386 PolarHBondContact O-N 2.73Å; V381-L386 HydrophobicContact CG1-CB 3.91Å; L386-V399 HydrophobicContact CD1-CB 4.15Å; L386-L400 CarbonylContact C-O 3.59Å; L386-K401 HydrophobicContact CD1-CB 4.08Å; L386-K401 HydrophobicContact CD1-CG 4.42Å; L386-V436 HydrophobicContact CD2-CB 3.96Å; L386-V436 HydrophobicContact CD2-CG1 4.35Å; L386-V436 HydrophobicContact CD2-CG2 4.44Å; L386-V436 HydrophobicContact CG-CB 4.49Å; L386-L448 HydrophobicContact CD1-CD1 4.16Å; L386-L448 HydrophobicContact CD2-CB 4.45Å; L386-L448 HydrophobicContact CD2-CD1 4.11Å; L386-L448 HydrophobicContact CD2-CD2 4.12Å; L386-L448 HydrophobicContact CD2-CG 4.45Å; L386-L466 HydrophobicContact CD1-CD2 4.17Å
387	V	95.6	Very high	89.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.2	174.9	-58.3	0	0	0	0	110.7	P159 A374 S377 A378 I385 V399 L400	P159-V387 HydrophobicContact CB-CG2 4.49Å; P159-V387 HydrophobicContact CG-CG2 3.44Å; P159-V387 VanDerWaalsContact CG-CG2 3.44Å; A374-V387 HydrophobicContact CB-CG2 4.27Å; S377-V387 CarbonylContact O-C 3.53Å; S377-V387 WeakPolarHBondContact O-CA 3.47Å; A378-V387 HydrophobicContact CB-CG1 4.26Å; I385-V387 HydrophobicContact CG1-CG1 4.35Å; I385-V387 HydrophobicContact CG2-CG1 4.49Å; V387-V399 WeakPolarHBondContact O-CA 3.31Å; V387-L400 HydrophobicContact CG2-CB 3.9Å; V387-L400 PolarHBondContact N-O 2.85Å; V387-L400 PolarHBondContact O-N 3.01Å
388	G	94.9	Very high	89.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	137	170.4	0	0	0	0	0	111.5	A374 G375 F376 S377 G433	A374-G388 WeakPolarHBondContact CA-O 2.99Å; G375-G388 PolarHBondContact N-O 2.86Å; F376-G388 PolarHBondContact N-O 3.33Å; S377-G388 PolarHBondContact O-N 3.04Å; G388-G433 VanDerWaalsContact CA-O 3.23Å; G388-G433 WeakPolarHBondContact CA-O 3.32Å
389	A	93.6	Very high	89	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	80.5	-177.9	0	0	0	0	0	109.4	S372 A374 G391 A392 G397 A398 L400	S372-A389 CarbonylContact O-C 3.54Å; S372-A389 WeakPolarHBondContact O-CA 3.47Å; A374-A389 HydrophobicContact CB-CB 4.11Å; A389-G391 VanDerWaalsContact C-N 3.29Å; A389-G391 PolarHBondContact O-N 3.29Å; A389-A392 HydrophobicContact CB-CB 4.23Å; A389-A392 WeakPolarHBondContact O-CB 3.46Å; A389-A392 PolarHBondContact O-N 3.31Å; A389-G397 CarbonylContact O-C 3.49Å; A389-G397 VanDerWaalsContact O-CA 3.28Å; A389-G397 WeakPolarHBondContact O-CA 3.11Å; A389-A398 HydrophobicContact CB-CB 4.49Å; A389-A398 PolarHBondContact N-O 3.45Å; A389-A398 PolarHBondContact O-N 2.83Å; A389-L400 HydrophobicContact CB-CD1 3.87Å; A389-L400 HydrophobicContact CB-CG 3.98Å
390	V	92	Very high	88.9	Confident	12 Å²	12	22.3 Å²	22.3	7%	0.073	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.9	-168.9	-66.7	0	0	0	0	114.7	S372 Q373 F376 A431 Y434	S372-V390 PolarHBondContact O-N 2.95Å; S372-V390 VanDerWaalsContact O-N 3.12Å; Q373-V390 HydrophobicContact CB-CG2 4Å; F376-V390 HydrophobicContact CB-CG1 3.98Å; F376-V390 HydrophobicContact CB-CG2 4.07Å; F376-V390 HydrophobicContact CD1-CG1 3.8Å; F376-V390 HydrophobicContact CD2-CG1 4.4Å; F376-V390 HydrophobicContact CD2-CG2 3.78Å; F376-V390 HydrophobicContact CE1-CG1 4.44Å; F376-V390 HydrophobicContact CE2-CG2 4.43Å; F376-V390 HydrophobicContact CG-CG1 3.78Å; F376-V390 HydrophobicContact CG-CG2 3.91Å; V390-A431 HydrophobicContact CB-CB 4.31Å; V390-A431 HydrophobicContact CG1-CB 4.22Å; V390-Y434 HydrophobicContact CG1-CD2 4.35Å
391	G	86.3	Confident	88.8	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7	-178	0	0	0	0	0	114.2	M371 S372 A389 W395	M371-G391 CarbonylContact O-C 3.37Å; M371-G391 WeakPolarHBondContact O-CA 3.37Å; S372-G391 PolarHBondContact O-N 2.97Å; A389-G391 VanDerWaalsContact C-N 3.29Å; A389-G391 PolarHBondContact O-N 3.29Å; G391-W395 PolarHBondContact O-N 2.93Å
392	A	86.8	Confident	88.8	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	147.3	179.1	0	0	0	0	0	110.2	G368 L369 A389 W395 N396 G397 A398	G368-A392 CarbonylContact O-C 3.6Å; L369-A392 HydrophobicContact CD2-CB 3.63Å; A389-A392 HydrophobicContact CB-CB 4.23Å; A389-A392 WeakPolarHBondContact O-CB 3.46Å; A389-A392 PolarHBondContact O-N 3.31Å; A392-W395 CarbonylContact O-C 3.58Å; A392-W395 PolarHBondContact O-N 2.91Å; A392-N396 CarbonylContact O-C 3.54Å; A392-N396 WeakPolarHBondContact O-CA 3.2Å; A392-N396 PolarHBondContact O-N 3.31Å; A392-G397 PolarHBondContact O-N 3.28Å; A392-A398 HydrophobicContact CB-CB 3.68Å
393	Y	82.4	Confident	89.1	Confident	26 Å²	26	14.4 Å²	14.4	10%	0.102	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	62.6	174.4	-51.7	-55.9	0	0	0	114	F367 G368 L369 W395 N396 A398 P410 K412 Y415	F367-Y393 CarbonylContact O-C 3.57Å; F367-Y393 VanDerWaalsContact O-CA 3.29Å; F367-Y393 WeakPolarHBondContact O-CA 3.43Å; G368-Y393 PolarHBondContact O-N 3.1Å; L369-Y393 HydrophobicContact CD2-CE1 4.43Å; Y393-W395 VanDerWaalsContact C-N 3.3Å; Y393-W395 PolarHBondContact O-N 2.72Å; Y393-N396 WeakPolarHBondContact O-CA 3.31Å; Y393-N396 WeakPolarHBondContact O-CB 3.46Å; Y393-N396 PolarHBondContact O-N 3.39Å; Y393-N396 PolarHBondContact O-OD1 2.81Å; Y393-A398 HydrophobicContact CD2-CB 4.23Å; Y393-A398 HydrophobicContact CE2-CB 3.97Å; Y393-P410 PolarHBondContact OH-O 3.38Å; Y393-K412 HydrophobicContact CD1-CB 3.83Å; Y393-K412 HydrophobicContact CD1-CD 4.34Å; Y393-K412 HydrophobicContact CD1-CG 4.15Å; Y393-K412 HydrophobicContact CD2-CB 4.28Å; Y393-K412 HydrophobicContact CD2-CG 4.42Å; Y393-K412 HydrophobicContact CE1-CB 3.91Å; Y393-K412 HydrophobicContact CE2-CB 4.33Å; Y393-K412 HydrophobicContact CG-CB 4.02Å; Y393-K412 HydrophobicContact CG-CD 4.42Å; Y393-K412 HydrophobicContact CG-CG 3.99Å; Y393-Y415 HydrophobicContact CE2-CE2 4.42Å
394	D	76.7	Confident	88.9	Confident	22 Å²	22	23.2 Å²	23.2	12%	0.118	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	47.4	-174	-59.5	-49	0	0	0	112.9	A366 F367 N396 K424 L430	A366-D394 WeakPolarHBondContact CA-OD1 3.01Å; A366-D394 WeakPolarHBondContact CB-OD2 3.41Å; F367-D394 PolarHBondContact N-OD1 3.01Å; F367-D394 PolarHBondContact O-N 2.99Å; D394-N396 PolarHBondContact O-N 2.77Å; D394-K424 IonicContact OD2-NZ 2.91Å; D394-K424 PolarHBondContact OD2-NZ 3.12Å; D394-L430 WeakPolarHBondContact O-CD1 3.17Å
395	W	79.3	Confident	88.5	Confident	113 Å²	113	30.5 Å²	30.5	43%	0.428	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	-7.1	-171.5	-65.6	-97.3	0	0	0	116.1	F367 M371 G391 A392 Y393 G397 L430	F367-W395 HydrophobicContact CD2-CH2 4.04Å; F367-W395 AromaticContact CD2-CZ3 3.8Å; F367-W395 HydrophobicContact CD2-CZ3 3.8Å; F367-W395 HydrophobicContact CE2-CH2 4.11Å; F367-W395 HydrophobicContact CE2-CZ3 4.17Å; M371-W395 HydrophobicContact CB-CZ2 4.36Å; G391-W395 PolarHBondContact O-N 2.93Å; A392-W395 CarbonylContact O-C 3.58Å; A392-W395 PolarHBondContact O-N 2.91Å; Y393-W395 VanDerWaalsContact C-N 3.3Å; Y393-W395 PolarHBondContact O-N 2.72Å; W395-G397 PolarHBondContact O-N 2.79Å; W395-L430 VanDerWaalsContact C-CD1 3.42Å; W395-L430 HydrophobicContact CB-CB 4.22Å; W395-L430 HydrophobicContact CB-CD1 4.15Å; W395-L430 CarbonylContact O-C 3.45Å; W395-L430 WeakPolarHBondContact O-CB 3.28Å
396	N	77.8	Confident	88.2	Confident	12 Å²	12	31.6 Å²	31.6	6%	0.064	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	4.4	-62.3	152.9	-2.5	-25.7	0	0	0	115.9	A392 Y393 D394 L430	A392-N396 CarbonylContact O-C 3.54Å; A392-N396 WeakPolarHBondContact O-CA 3.2Å; A392-N396 PolarHBondContact O-N 3.31Å; Y393-N396 WeakPolarHBondContact O-CA 3.31Å; Y393-N396 WeakPolarHBondContact O-CB 3.46Å; Y393-N396 PolarHBondContact O-N 3.39Å; Y393-N396 PolarHBondContact O-OD1 2.81Å; D394-N396 PolarHBondContact O-N 2.77Å; N396-L430 HydrophobicContact CB-CD1 4.17Å; N396-L430 HydrophobicContact CB-CD2 3.16Å; N396-L430 HydrophobicContact CB-CG 3.95Å; N396-L430 WeakPolarHBondContact O-CD2 3.02Å; N396-L430 WeakPolarHBondContact OD1-CD1 3.18Å; N396-L430 WeakPolarHBondContact OD1-CD2 3.41Å; N396-L430 WeakPolarHBondContact OD1-CG 3.29Å
397	G	86.6	Confident	87.9	Confident	0 Å²	0	36 Å²	36	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	76.2	134.9	-161.7	0	0	0	0	0	107.6	A389 A392 W395 S432	A389-G397 CarbonylContact O-C 3.49Å; A389-G397 VanDerWaalsContact O-CA 3.28Å; A389-G397 WeakPolarHBondContact O-CA 3.11Å; A392-G397 PolarHBondContact O-N 3.28Å; W395-G397 PolarHBondContact O-N 2.79Å; G397-S432 CarbonylContact C-O 3.3Å; G397-S432 VanDerWaalsContact C-O 3.28Å; G397-S432 WeakPolarHBondContact CA-O 3.28Å
398	A	89.8	Confident	87.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	165	171.8	0	0	0	0	0	108.9	A389 A392 Y393 L400 Y415 S432	A389-A398 HydrophobicContact CB-CB 4.49Å; A389-A398 PolarHBondContact N-O 3.45Å; A389-A398 PolarHBondContact O-N 2.83Å; A392-A398 HydrophobicContact CB-CB 3.68Å; Y393-A398 HydrophobicContact CD2-CB 4.23Å; Y393-A398 HydrophobicContact CE2-CB 3.97Å; A398-L400 HydrophobicContact CB-CD2 4.3Å; A398-Y415 HydrophobicContact CB-CE2 4.22Å; A398-S432 PolarHBondContact N-O 2.67Å; A398-S432 VanDerWaalsContact N-O 3.15Å
399	V	93	Very high	87.5	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.8	164.6	-67.2	0	0	0	0	108.1	L386 V387 P410 Y415 V436 A450 F464 L472	L386-V399 HydrophobicContact CD1-CB 4.15Å; V387-V399 WeakPolarHBondContact O-CA 3.31Å; V399-P410 WeakPolarHBondContact O-CD 3.48Å; V399-P410 WeakPolarHBondContact O-CG 3.45Å; V399-Y415 WeakPolarHBondContact CG2-OH 3.35Å; V399-Y415 PolarHBondContact N-OH 3.36Å; V399-Y415 VanDerWaalsContact N-OH 3.15Å; V399-V436 HydrophobicContact CG1-CG1 3.66Å; V399-A450 HydrophobicContact CG1-CB 3.84Å; V399-F464 HydrophobicContact CB-CZ 4.09Å; V399-F464 HydrophobicContact CG1-CZ 4.03Å; V399-F464 HydrophobicContact CG2-CE1 4.23Å; V399-F464 HydrophobicContact CG2-CE2 3.48Å; V399-F464 VanDerWaalsContact CG2-CE2 3.48Å; V399-F464 HydrophobicContact CG2-CZ 3.28Å; V399-L472 HydrophobicContact CG2-CD1 3.78Å
400	L	93.6	Very high	87.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.5	179.8	-49.6	178.6	0	0	0	108.1	P159 A160 A374 L386 V387 A389 A398 I409	P159-L400 HydrophobicContact CB-CB 4.04Å; P159-L400 HydrophobicContact CB-CD1 4.18Å; P159-L400 HydrophobicContact CG-CB 4.25Å; P159-L400 HydrophobicContact CG-CD1 4.21Å; A160-L400 HydrophobicContact CB-CD1 3.7Å; A374-L400 HydrophobicContact CB-CD1 4.04Å; L386-L400 CarbonylContact C-O 3.59Å; V387-L400 HydrophobicContact CG2-CB 3.9Å; V387-L400 PolarHBondContact N-O 2.85Å; V387-L400 PolarHBondContact O-N 3.01Å; A389-L400 HydrophobicContact CB-CD1 3.87Å; A389-L400 HydrophobicContact CB-CG 3.98Å; A398-L400 HydrophobicContact CB-CD2 4.3Å; L400-I409 HydrophobicContact CD2-CB 4.34Å; L400-I409 HydrophobicContact CD2-CG1 4.28Å; L400-I409 HydrophobicContact CD2-CG2 3.94Å
401	K	92.4	Very high	87	Confident	12 Å²	12	41.7 Å²	41.7	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.2	179.3	-167.8	178.2	83.2	145.8	0	110.1	V381 D383 I385 L386 T403 V408 L466 N468	V381-K401 HydrophobicContact CG2-CD 4.11Å; V381-K401 HydrophobicContact CG2-CG 4.2Å; D383-K401 IonicContact OD1-NZ 3.8Å; D383-K401 PolarHBondContact OD1-NZ 3.43Å; D383-K401 IonicContact OD2-NZ 2.86Å; D383-K401 PolarHBondContact OD2-NZ 2.93Å; I385-K401 WeakPolarHBondContact O-CA 3.43Å; L386-K401 HydrophobicContact CD1-CB 4.08Å; L386-K401 HydrophobicContact CD1-CG 4.42Å; K401-T403 HydrophobicContact CD-CG2 4.34Å; K401-T403 VanDerWaalsContact CE-CG2 3.48Å; K401-T403 HydrophobicContact CG-CG2 4.19Å; K401-V408 HydrophobicContact CB-CB 4.11Å; K401-V408 PolarHBondContact N-O 3.4Å; K401-V408 PolarHBondContact O-N 3.45Å; K401-L466 HydrophobicContact CB-CD2 3.9Å; K401-L466 HydrophobicContact CD-CD2 4.33Å; K401-N468 VanDerWaalsContact CE-OD1 3.31Å; K401-N468 WeakPolarHBondContact CE-OD1 3.44Å; K401-N468 PolarHBondContact NZ-OD1 3.05Å
402	E	91.6	Very high	86.8	Confident	24 Å²	24	44.7 Å²	44.7	11%	0.112	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.6	174.4	-179.1	70.6	-170.6	0	0	108.8	I157 G384 I385 K407	I157-E402 HydrophobicContact CG1-CG 4.36Å; I157-E402 HydrophobicContact CG2-CB 3.87Å; I157-E402 HydrophobicContact CG2-CG 3.88Å; G384-E402 CarbonylContact C-O 3.54Å; G384-E402 WeakPolarHBondContact CA-O 3.28Å; I385-E402 HydrophobicContact CG2-CB 3.9Å; I385-E402 PolarHBondContact N-O 2.73Å; I385-E402 PolarHBondContact O-N 2.72Å; E402-K407 WeakPolarHBondContact OE2-CG 3.33Å
403	T	91	Very high	86.7	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	178.1	-179	72.7	0	0	0	0	111.7	D383 K401 Q405 G406 V408	D383-T403 WeakPolarHBondContact O-CA 3.28Å; D383-T403 WeakPolarHBondContact OD2-CG2 3.46Å; K401-T403 HydrophobicContact CD-CG2 4.34Å; K401-T403 VanDerWaalsContact CE-CG2 3.48Å; K401-T403 HydrophobicContact CG-CG2 4.19Å; T403-Q405 PolarHBondContact O-N 3.08Å; T403-Q405 PolarHBondContact OG1-N 3.23Å; T403-Q405 VanDerWaalsContact OG1-N 3.13Å; T403-G406 PolarHBondContact N-O 3.17Å; T403-G406 PolarHBondContact OG1-N 3.24Å; T403-G406 PolarHBondContact OG1-O 3.1Å; T403-V408 HydrophobicContact CG2-CG2 3.92Å
404	R	83.9	Confident	86.8	Confident	233 Å²	233	48.9 Å²	48.9	88%	0.879	24%	0.24	S	C	*	.	S	Bend	trans	-65.8	-26.2	168.5	-65.3	-175.4	-177.3	179.6	1.1	113.3	D383	D383-R404 PolarHBondContact O-N 2.97Å
405	Q	82.6	Confident	87.1	Confident	176 Å²	176	48 Å²	48	82%	0.822	24%	0.235	S	C	*	.	S	Bend	trans	-89.6	-10.3	-177.3	-66.4	174.6	-13.1	0	0	112.8	T403	T403-Q405 PolarHBondContact O-N 3.08Å; T403-Q405 PolarHBondContact OG1-N 3.23Å; T403-Q405 VanDerWaalsContact OG1-N 3.13Å
406	G	85.9	Confident	87	Confident	28 Å²	28	45.7 Å²	45.7	29%	0.289	23%	0.233	S	C	.	.			trans	134.5	-169.3	178.9	0	0	0	0	0	113.4	T403	T403-G406 PolarHBondContact N-O 3.17Å; T403-G406 PolarHBondContact OG1-N 3.24Å; T403-G406 PolarHBondContact OG1-O 3.1Å
407	K	90.4	Very high	86.9	Confident	91 Å²	91	54.1 Å²	54.1	40%	0.396	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.5	-179.4	-61.2	170.9	-175.2	-163.2	0	110.6	I158 E402	I158-K407 WeakPolarHBondContact O-CE 3.49Å; I158-K407 PolarHBondContact O-NZ 3.45Å; E402-K407 WeakPolarHBondContact OE2-CG 3.33Å
408	V	91.8	Very high	86.5	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.2	174.7	-177.8	0	0	0	0	108	K401 T403 L466 N468	K401-V408 HydrophobicContact CB-CB 4.11Å; K401-V408 PolarHBondContact N-O 3.4Å; K401-V408 PolarHBondContact O-N 3.45Å; T403-V408 HydrophobicContact CG2-CG2 3.92Å; V408-L466 HydrophobicContact CG1-CD1 4.22Å; V408-L466 HydrophobicContact CG1-CG 4.43Å; V408-N468 WeakPolarHBondContact CG2-O 3.43Å
409	I	91.1	Very high	85.7	Confident	64 Å²	64	56.9 Å²	56.9	33%	0.328	29%	0.285	S	S	.	.			trans	-122.5	112.6	-174	-58.5	176.7	0	0	0	108	P159 L369 L400	P159-I409 WeakPolarHBondContact O-CD1 3.45Å; L369-I409 HydrophobicContact CD1-CD1 3.98Å; L369-I409 HydrophobicContact CD1-CG2 3.78Å; L400-I409 HydrophobicContact CD2-CB 4.34Å; L400-I409 HydrophobicContact CD2-CG1 4.28Å; L400-I409 HydrophobicContact CD2-CG2 3.94Å
410	P	89	Confident	84.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.			trans	-67.6	138	173.6	-19.5	32.8	0	0	0	111.5	Y393 V399 Y415 L466 G470 L472	Y393-P410 PolarHBondContact OH-O 3.38Å; V399-P410 WeakPolarHBondContact O-CD 3.48Å; V399-P410 WeakPolarHBondContact O-CG 3.45Å; P410-Y415 HydrophobicContact CB-CE2 4.1Å; P410-L466 HydrophobicContact CG-CD1 3.79Å; P410-L466 HydrophobicContact CG-CD2 4.46Å; P410-G470 WeakPolarHBondContact CA-O 3.24Å; P410-L472 HydrophobicContact CB-CB 4.03Å; P410-L472 HydrophobicContact CB-CD1 4.21Å; P410-L472 HydrophobicContact CG-CB 4.34Å; P410-L472 HydrophobicContact CG-CD1 3.98Å
411	P	85.9	Confident	83.3	Confident	61 Å²	61	63.9 Å²	63.9	40%	0.396	32%	0.321	S	S	.	.			trans	-68	153.7	176.1	29.9	-34.7	0	0	0	111.2	S413 S414	P411-S413 PolarHBondContact O-N 3.19Å; P411-S413 VanDerWaalsContact O-N 3.11Å; P411-S414 WeakPolarHBondContact O-CB 3.35Å; P411-S414 PolarHBondContact O-N 2.86Å
412	K	82.2	Confident	81.8	Confident	64 Å²	64	70.4 Å²	70.4	28%	0.278	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-51.4	-37	176.8	-175.6	-177.3	170.5	-166.2	0	112.3	Y393 S414 Y415 E421	Y393-K412 HydrophobicContact CD1-CB 3.83Å; Y393-K412 HydrophobicContact CD1-CD 4.34Å; Y393-K412 HydrophobicContact CD1-CG 4.15Å; Y393-K412 HydrophobicContact CD2-CB 4.28Å; Y393-K412 HydrophobicContact CD2-CG 4.42Å; Y393-K412 HydrophobicContact CE1-CB 3.91Å; Y393-K412 HydrophobicContact CE2-CB 4.33Å; Y393-K412 HydrophobicContact CG-CB 4.02Å; Y393-K412 HydrophobicContact CG-CD 4.42Å; Y393-K412 HydrophobicContact CG-CG 3.99Å; K412-S414 PolarHBondContact O-N 3.04Å; K412-Y415 PolarHBondContact O-N 3.17Å; K412-Y415 VanDerWaalsContact O-N 3.12Å; K412-E421 IonicContact NZ-OE1 2.82Å; K412-E421 PolarHBondContact NZ-OE1 3.4Å
413	S	83.3	Confident	80.4	Confident	86 Å²	86	73 Å²	73	60%	0.601	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-60.1	-23.6	179.9	53.9	0	0	0	0	114.4	P411 Y415 T416	P411-S413 PolarHBondContact O-N 3.19Å; P411-S413 VanDerWaalsContact O-N 3.11Å; S413-Y415 PolarHBondContact O-N 3.05Å; S413-T416 WeakPolarHBondContact CA-OG1 3.43Å; S413-T416 PolarHBondContact O-N 3.41Å; S413-T416 PolarHBondContact O-OG1 3.23Å
414	S	84.8	Confident	78.7	Confident	27 Å²	27	76 Å²	76	19%	0.189	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-66.4	-16.3	177	-67	0	0	0	0	113.6	P411 K412	P411-S414 WeakPolarHBondContact O-CB 3.35Å; P411-S414 PolarHBondContact O-N 2.86Å; K412-S414 PolarHBondContact O-N 3.04Å
415	Y	82.5	Confident	77	Confident	5 Å²	5	72 Å²	72	2%	0.02	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-13.2	-177.7	-59.5	-77.9	0	0	0	113.3	Y393 A398 V399 P410 K412 S413 Q417 E418 F419 I462 L472	Y393-Y415 HydrophobicContact CE2-CE2 4.42Å; A398-Y415 HydrophobicContact CB-CE2 4.22Å; V399-Y415 WeakPolarHBondContact CG2-OH 3.35Å; V399-Y415 PolarHBondContact N-OH 3.36Å; V399-Y415 VanDerWaalsContact N-OH 3.15Å; P410-Y415 HydrophobicContact CB-CE2 4.1Å; K412-Y415 PolarHBondContact O-N 3.17Å; K412-Y415 VanDerWaalsContact O-N 3.12Å; S413-Y415 PolarHBondContact O-N 3.05Å; Y415-Q417 VanDerWaalsContact C-N 3.31Å; Y415-Q417 PolarHBondContact O-N 3.4Å; Y415-E418 PolarHBondContact O-N 3.28Å; Y415-F419 WeakPolarHBondContact O-CD2 3.29Å; Y415-F419 PolarHBondContact O-N 3.09Å; Y415-I462 HydrophobicContact CE1-CD1 4.42Å; Y415-L472 HydrophobicContact CE1-CD1 3.96Å; Y415-L472 HydrophobicContact CE1-CD2 4.22Å; Y415-L472 WeakPolarHBondContact OH-CD1 3.34Å
416	T	77.1	Confident	75.4	Confident	64 Å²	64	70 Å²	70	39%	0.393	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.3	-167.8	-46.7	0	0	0	0	114	S413 E418 F419 P420	S413-T416 WeakPolarHBondContact CA-OG1 3.43Å; S413-T416 PolarHBondContact O-N 3.41Å; S413-T416 PolarHBondContact O-OG1 3.23Å; T416-E418 VanDerWaalsContact C-N 3.31Å; T416-E418 PolarHBondContact O-N 2.66Å; T416-F419 CarbonylContact O-C 3.54Å; T416-P420 WeakPolarHBondContact O-CA 3.21Å
417	Q	76.9	Confident	73.6	Confident	188 Å²	188	70.8 Å²	70.8	88%	0.879	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-35.8	177.5	-69.8	-178.5	-5.8	0	0	112.6	Y415	Y415-Q417 VanDerWaalsContact C-N 3.31Å; Y415-Q417 PolarHBondContact O-N 3.4Å
418	E	78	Confident	71.3	Confident	55 Å²	55	66.6 Å²	66.6	26%	0.257	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-17.4	-177.1	-70.2	-62.2	156.9	0	0	113	Y415 T416 K460 I474	Y415-E418 PolarHBondContact O-N 3.28Å; T416-E418 VanDerWaalsContact C-N 3.31Å; T416-E418 PolarHBondContact O-N 2.66Å; E418-K460 PolarHBondContact O-NZ 2.67Å; E418-K460 VanDerWaalsContact OE2-CE 3.32Å; E418-K460 WeakPolarHBondContact OE2-CE 3.48Å; E418-K460 IonicContact OE2-NZ 3.81Å; E418-K460 PolarHBondContact OE2-NZ 3.18Å; E418-I474 HydrophobicContact CB-CD1 3.94Å; E418-I474 HydrophobicContact CG-CB 4.42Å; E418-I474 HydrophobicContact CG-CD1 3.52Å; E418-I474 HydrophobicContact CG-CG2 4.13Å
419	F	73.7	Confident	69.4	Low	4 Å²	4	67 Å²	67	2%	0.018	36%	0.356	C	S	.	.	S	Bend	trans	-136	74.8	-178	-57.9	-86.9	0	0	0	109.5	Y415 T416 L430 S432 A452 F455 K460 I462	Y415-F419 WeakPolarHBondContact O-CD2 3.29Å; Y415-F419 PolarHBondContact O-N 3.09Å; T416-F419 CarbonylContact O-C 3.54Å; F419-L430 HydrophobicContact CD1-CD2 4.28Å; F419-S432 WeakPolarHBondContact CZ-OG 3.5Å; F419-A452 HydrophobicContact CE1-CB 4.38Å; F419-A452 HydrophobicContact CZ-CB 4.4Å; F419-F455 AromaticContact CD1-CD2 3.59Å; F419-F455 HydrophobicContact CD1-CD2 3.59Å; F419-F455 AromaticContact CD1-CE2 3.81Å; F419-F455 HydrophobicContact CD1-CE2 3.81Å; F419-F455 AromaticContact CE1-CD2 3.45Å; F419-F455 HydrophobicContact CE1-CD2 3.45Å; F419-F455 VanDerWaalsContact CE1-CD2 3.45Å; F419-F455 AromaticContact CE1-CE2 3.99Å; F419-F455 HydrophobicContact CE1-CE2 3.99Å; F419-F455 HydrophobicContact CE1-CG 4.27Å; F419-K460 HydrophobicContact CE1-CD 4.43Å; F419-K460 HydrophobicContact CZ-CD 4.36Å; F419-I462 HydrophobicContact CE2-CD1 4.48Å; F419-I462 HydrophobicContact CE2-CG2 4.4Å; F419-I462 HydrophobicContact CZ-CG2 4.39Å
420	P	70.1	Confident	67.6	Low	39 Å²	39	64.4 Å²	64.4	25%	0.253	34%	0.343	S	S	.	.			trans	-76	149.3	-173.8	35.6	-39.7	0	0	0	111.2	T416 E422 L423 Y429	T416-P420 WeakPolarHBondContact O-CA 3.21Å; P420-E422 VanDerWaalsContact C-N 3.26Å; P420-E422 VanDerWaalsContact CB-OE2 3.3Å; P420-E422 WeakPolarHBondContact CB-OE2 3.31Å; P420-E422 PolarHBondContact O-N 2.81Å; P420-L423 HydrophobicContact CG-CD1 3.91Å; P420-Y429 WeakPolarHBondContact O-CE1 3.41Å; P420-Y429 PolarHBondContact O-OH 2.91Å; P420-Y429 VanDerWaalsContact O-OH 3.11Å
421	E	65.5	Low	66.3	Low	108 Å²	108	64.7 Å²	64.7	51%	0.505	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-67.6	-23.2	-170.6	-68	-155.7	147.6	0	0	113.6	K412 L423 K424	K412-E421 IonicContact NZ-OE1 2.82Å; K412-E421 PolarHBondContact NZ-OE1 3.4Å; E421-L423 PolarHBondContact O-N 2.78Å; E421-K424 WeakPolarHBondContact O-CB 3.38Å; E421-K424 PolarHBondContact O-N 2.83Å; E421-K424 VanDerWaalsContact O-N 3.09Å
422	E	61.6	Low	64.9	Low	149 Å²	149	61.9 Å²	61.9	70%	0.696	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62	-28	-177.6	-60.8	81.8	-177.4	0	0	112.7	P420	P420-E422 VanDerWaalsContact C-N 3.26Å; P420-E422 VanDerWaalsContact CB-OE2 3.3Å; P420-E422 WeakPolarHBondContact CB-OE2 3.31Å; P420-E422 PolarHBondContact O-N 2.81Å
423	L	60.2	Low	64.8	Low	78 Å²	78	58.8 Å²	58.8	41%	0.408	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-96.1	2.9	-179.9	-17.8	133.8	0	0	0	113.8	P420 E421 N425 H426 Y429	P420-L423 HydrophobicContact CG-CD1 3.91Å; E421-L423 PolarHBondContact O-N 2.78Å; L423-N425 PolarHBondContact O-N 3.16Å; L423-N425 VanDerWaalsContact O-N 3.16Å; L423-H426 PolarHBondContact O-N 3.48Å; L423-Y429 VanDerWaalsContact C-CD2 3.45Å; L423-Y429 HydrophobicContact CB-CD2 4.39Å; L423-Y429 HydrophobicContact CB-CE2 3.33Å; L423-Y429 VanDerWaalsContact CB-CZ 3.43Å; L423-Y429 WeakPolarHBondContact CB-OH 3.07Å; L423-Y429 HydrophobicContact CD1-CE2 4.39Å; L423-Y429 WeakPolarHBondContact CD1-OH 3.43Å; L423-Y429 HydrophobicContact CG-CE2 4.42Å; L423-Y429 WeakPolarHBondContact CG-OH 3.48Å; L423-Y429 WeakPolarHBondContact O-CD2 3.32Å; L423-Y429 WeakPolarHBondContact O-CE2 3.05Å
424	K	56.5	Low	65.3	Low	70 Å²	70	57.6 Å²	57.6	30%	0.304	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-57	-27.7	178.5	-164.2	-177.8	-174.7	-171.4	0	114	D394 E421 H426 Y429	D394-K424 IonicContact OD2-NZ 2.91Å; D394-K424 PolarHBondContact OD2-NZ 3.12Å; E421-K424 WeakPolarHBondContact O-CB 3.38Å; E421-K424 PolarHBondContact O-N 2.83Å; E421-K424 VanDerWaalsContact O-N 3.09Å; K424-H426 VanDerWaalsContact C-N 3.25Å; K424-H426 PolarHBondContact O-N 3.04Å; K424-Y429 HydrophobicContact CB-CD1 4.37Å
425	N	49.1	Very low	65.8	Low	148 Å²	148	56.9 Å²	56.9	79%	0.791	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-73.3	-3.9	-173.3	-67.2	-20.1	0	0	0	115.4	L423	L423-N425 PolarHBondContact O-N 3.16Å; L423-N425 VanDerWaalsContact O-N 3.16Å
426	H	48	Very low	66.5	Low	135 Å²	135	57.2 Å²	57.2	63%	0.625	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-102.5	1.3	-171	-74.4	-67	0	0	0	116.4	L423 K424 A428 H457	L423-H426 PolarHBondContact O-N 3.48Å; K424-H426 VanDerWaalsContact C-N 3.25Å; K424-H426 PolarHBondContact O-N 3.04Å; H426-A428 HydrophobicContact CB-CB 4.03Å; H426-A428 PolarHBondContact O-N 3.04Å; H426-H457 PolarHBondContact O-CE1 3.32Å
427	G	47.7	Very low	67.4	Low	44 Å²	44	54.8 Å²	54.8	45%	0.454	28%	0.278	S	S	.	.	S	Bend	trans	62	-2.8	-174.8	0	0	0	0	0	115	Y429 R454	G427-Y429 PolarHBondContact O-N 3.47Å; G427-R454 PolarHBondContact O-NH2 3Å
428	A	41.6	Very low	68.3	Low	2 Å²	2	46.2 Å²	46.2	2%	0.017	24%	0.239	C	C	.	.			trans	-73	4.9	168.9	0	0	0	0	0	112.7	H426 R454 F455 N456 H457	H426-A428 HydrophobicContact CB-CB 4.03Å; H426-A428 PolarHBondContact O-N 3.04Å; A428-R454 CarbonylContact C-O 3.54Å; A428-R454 VanDerWaalsContact C-O 3.31Å; A428-R454 CarbonylContact O-C 3.47Å; A428-F455 CarbonylContact O-C 3.58Å; A428-F455 WeakPolarHBondContact O-CA 3.3Å; A428-N456 PolarHBondContact O-N 3.24Å; A428-H457 WeakPolarHBondContact CA-NE2 3.45Å; A428-H457 WeakPolarHBondContact CB-CE1 3.21Å; A428-H457 WeakPolarHBondContact CB-ND1 3.36Å; A428-H457 PolarHBondContact N-NE2 2.97Å
429	Y	52.2	Low	69	Low	16 Å²	16	43.6 Å²	43.6	6%	0.063	23%	0.227	C	C	.	.			trans	-106.6	108.1	-164.8	-103.7	-104.7	0	0	0	104.3	P420 L423 K424 G427	P420-Y429 WeakPolarHBondContact O-CE1 3.41Å; P420-Y429 PolarHBondContact O-OH 2.91Å; P420-Y429 VanDerWaalsContact O-OH 3.11Å; L423-Y429 VanDerWaalsContact C-CD2 3.45Å; L423-Y429 HydrophobicContact CB-CD2 4.39Å; L423-Y429 HydrophobicContact CB-CE2 3.33Å; L423-Y429 VanDerWaalsContact CB-CZ 3.43Å; L423-Y429 WeakPolarHBondContact CB-OH 3.07Å; L423-Y429 HydrophobicContact CD1-CE2 4.39Å; L423-Y429 WeakPolarHBondContact CD1-OH 3.43Å; L423-Y429 HydrophobicContact CG-CE2 4.42Å; L423-Y429 WeakPolarHBondContact CG-OH 3.48Å; L423-Y429 WeakPolarHBondContact O-CD2 3.32Å; L423-Y429 WeakPolarHBondContact O-CE2 3.05Å; K424-Y429 HydrophobicContact CB-CD1 4.37Å; G427-Y429 PolarHBondContact O-N 3.47Å
430	L	54.6	Low	69.9	Low	10 Å²	10	46.1 Å²	46.1	5%	0.052	24%	0.242	C	C	.	.			trans	100.5	135.5	134.3	-42.3	136	0	0	0	116.8	D394 W395 N396 F419	D394-L430 WeakPolarHBondContact O-CD1 3.17Å; W395-L430 VanDerWaalsContact C-CD1 3.42Å; W395-L430 HydrophobicContact CB-CB 4.22Å; W395-L430 HydrophobicContact CB-CD1 4.15Å; W395-L430 CarbonylContact O-C 3.45Å; W395-L430 WeakPolarHBondContact O-CB 3.28Å; N396-L430 HydrophobicContact CB-CD1 4.17Å; N396-L430 HydrophobicContact CB-CD2 3.16Å; N396-L430 HydrophobicContact CB-CG 3.95Å; N396-L430 WeakPolarHBondContact O-CD2 3.02Å; N396-L430 WeakPolarHBondContact OD1-CD1 3.18Å; N396-L430 WeakPolarHBondContact OD1-CD2 3.41Å; N396-L430 WeakPolarHBondContact OD1-CG 3.29Å; F419-L430 HydrophobicContact CD1-CD2 4.28Å
431	A	61.3	Low	70.6	Confident	6 Å²	6	44.6 Å²	44.6	5%	0.05	23%	0.232	C	C	.	.			trans	176.9	37.7	166.1	0	0	0	0	0	108.6	V390 G433 Y434	V390-A431 HydrophobicContact CB-CB 4.31Å; V390-A431 HydrophobicContact CG1-CB 4.22Å; A431-G433 PolarHBondContact O-N 2.89Å; A431-Y434 HydrophobicContact CB-CD2 4.2Å; A431-Y434 VanDerWaalsContact O-CB 3.3Å; A431-Y434 WeakPolarHBondContact O-CB 3.31Å; A431-Y434 PolarHBondContact O-N 3.12Å
432	S	56.3	Low	71.1	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.007	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-57	124	174	-65.6	0	0	0	0	109.2	G397 A398 F419	G397-S432 CarbonylContact C-O 3.3Å; G397-S432 VanDerWaalsContact C-O 3.28Å; G397-S432 WeakPolarHBondContact CA-O 3.28Å; A398-S432 PolarHBondContact N-O 2.67Å; A398-S432 VanDerWaalsContact N-O 3.15Å; F419-S432 WeakPolarHBondContact CZ-OG 3.5Å
433	G	80.4	Confident	71.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	14.6	-168.8	0	0	0	0	0	113.5	S377 G388 A431 T435 G451	S377-G433 PolarHBondContact OG-O 2.73Å; G388-G433 VanDerWaalsContact CA-O 3.23Å; G388-G433 WeakPolarHBondContact CA-O 3.32Å; A431-G433 PolarHBondContact O-N 2.89Å; G433-T435 PolarHBondContact O-N 2.88Å; G433-G451 PolarHBondContact N-O 2.83Å
434	Y	93.6	Very high	71.9	Confident	61 Å²	61	44.2 Å²	44.2	24%	0.239	23%	0.232	C	C	.	.	S	Bend	trans	-57.8	-41	164.4	-168.4	-81.8	0	0	0	109.9	F376 S377 V390 A431 G451 P453 Y486	F376-Y434 HydrophobicContact CD1-CD2 4.17Å; F376-Y434 HydrophobicContact CD1-CE2 4.44Å; F376-Y434 HydrophobicContact CD1-CG 4.3Å; F376-Y434 AromaticContact CE1-CD1 3.97Å; F376-Y434 HydrophobicContact CE1-CD1 3.97Å; F376-Y434 AromaticContact CE1-CD2 3.4Å; F376-Y434 HydrophobicContact CE1-CD2 3.4Å; F376-Y434 VanDerWaalsContact CE1-CD2 3.4Å; F376-Y434 AromaticContact CE1-CE1 3.87Å; F376-Y434 HydrophobicContact CE1-CE1 3.87Å; F376-Y434 AromaticContact CE1-CE2 3.3Å; F376-Y434 HydrophobicContact CE1-CE2 3.3Å; F376-Y434 AromaticContact CE1-CG 3.75Å; F376-Y434 HydrophobicContact CE1-CG 3.75Å; F376-Y434 AromaticContact CE1-CZ 3.54Å; F376-Y434 AromaticContact CZ-CD2 3.85Å; F376-Y434 HydrophobicContact CZ-CD2 3.85Å; F376-Y434 HydrophobicContact CZ-CE1 4.5Å; F376-Y434 AromaticContact CZ-CE2 3.37Å; F376-Y434 HydrophobicContact CZ-CE2 3.37Å; F376-Y434 AromaticContact CZ-CZ 3.74Å; S377-Y434 VanDerWaalsContact CB-O 3.23Å; S377-Y434 WeakPolarHBondContact CB-O 3.4Å; S377-Y434 PolarHBondContact OG-O 2.97Å; V390-Y434 HydrophobicContact CG1-CD2 4.35Å; A431-Y434 HydrophobicContact CB-CD2 4.2Å; A431-Y434 VanDerWaalsContact O-CB 3.3Å; A431-Y434 WeakPolarHBondContact O-CB 3.31Å; A431-Y434 PolarHBondContact O-N 3.12Å; Y434-G451 PolarHBondContact N-O 3.5Å; Y434-P453 VanDerWaalsContact CB-CD 3.49Å; Y434-P453 HydrophobicContact CD1-CG 3.98Å; Y434-P453 HydrophobicContact CD2-CG 3.94Å; Y434-P453 HydrophobicContact CG-CG 3.64Å; Y434-Y486 HydrophobicContact CE1-CE1 4.2Å; Y434-Y486 HydrophobicContact CE2-CE1 4.23Å; Y434-Y486 VanDerWaalsContact CE2-OH 3.28Å; Y434-Y486 WeakPolarHBondContact CE2-OH 3.28Å; Y434-Y486 AromaticContact CZ-CE1 3.81Å
435	T	95.5	Very high	73.1	Confident	11 Å²	11	42.7 Å²	42.7	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.2	165.4	51.5	0	0	0	0	109.3	G433 A450 G451 G488 S489 I491	G433-T435 PolarHBondContact O-N 2.88Å; T435-A450 VanDerWaalsContact O-CA 3.27Å; T435-A450 WeakPolarHBondContact O-CA 3.45Å; T435-G451 PolarHBondContact O-N 2.99Å; T435-G451 VanDerWaalsContact O-N 3.07Å; T435-G451 VanDerWaalsContact OG1-CA 3.31Å; T435-G451 WeakPolarHBondContact OG1-CA 2.71Å; T435-G451 PolarHBondContact OG1-N 3.19Å; T435-G488 PolarHBondContact OG1-O 3.31Å; T435-S489 WeakPolarHBondContact CG2-O 3.46Å; T435-I491 VanDerWaalsContact OG1-CD1 3.26Å; T435-I491 WeakPolarHBondContact OG1-CD1 3.28Å
436	V	96.4	Very high	75	Confident	13 Å²	13	39 Å²	39	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.8	169.5	-63.6	0	0	0	0	109.3	S377 H379 L386 V399 V449 A450	S377-V436 WeakPolarHBondContact OG-CG2 3.5Å; S377-V436 PolarHBondContact OG-N 2.92Å; H379-V436 HydrophobicContact CB-CG2 3.89Å; L386-V436 HydrophobicContact CD2-CB 3.96Å; L386-V436 HydrophobicContact CD2-CG1 4.35Å; L386-V436 HydrophobicContact CD2-CG2 4.44Å; L386-V436 HydrophobicContact CG-CB 4.49Å; V399-V436 HydrophobicContact CG1-CG1 3.66Å; V436-V449 WeakPolarHBondContact CA-O 3.3Å; V436-A450 HydrophobicContact CG1-CB 4.41Å
437	T	96.1	Very high	77.1	Confident	12 Å²	12	32.6 Å²	32.6	7%	0.074	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	-171.7	175.1	-169.6	0	0	0	0	109.7	H379 V449 I491 P493	H379-T437 VanDerWaalsContact CD2-C 3.48Å; T437-V449 HydrophobicContact CG2-CB 3.86Å; T437-V449 HydrophobicContact CG2-CG1 4.37Å; T437-V449 HydrophobicContact CG2-CG2 4.5Å; T437-V449 PolarHBondContact N-O 3.19Å; T437-V449 PolarHBondContact O-N 2.79Å; T437-I491 HydrophobicContact CG2-CB 4.18Å; T437-I491 HydrophobicContact CG2-CG2 3.75Å; T437-P493 WeakPolarHBondContact OG1-CD 3.13Å
438	S	95.2	Very high	79.4	Confident	9 Å²	9	31 Å²	31	6%	0.063	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.3	174.6	66.8	0	0	0	0	112.5	H379 R446 L447 P493	H379-S438 WeakPolarHBondContact NE2-CB 3.33Å; H379-S438 PolarHBondContact NE2-N 3.07Å; H379-S438 PolarHBondContact NE2-OG 2.75Å; S438-R446 PolarHBondContact OG-NE 3.08Å; S438-R446 PolarHBondContact OG-NH1 3Å; S438-R446 PolarHBondContact OG-NH2 3.07Å; S438-L447 CarbonylContact C-O 3.58Å; S438-L447 WeakPolarHBondContact CA-O 3.32Å; S438-L447 VanDerWaalsContact CB-O 3.23Å; S438-L447 WeakPolarHBondContact CB-O 3.39Å; S438-P493 WeakPolarHBondContact O-CG 3.13Å
439	V	94.5	Very high	82	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.1	172.3	171.7	0	0	0	0	107.8	L447 V449 P493 T502 L505 V527 F533	V439-L447 PolarHBondContact N-O 2.81Å; V439-L447 PolarHBondContact O-N 2.72Å; V439-V449 HydrophobicContact CB-CG2 4.47Å; V439-V449 HydrophobicContact CG2-CG2 3.69Å; V439-P493 HydrophobicContact CG2-CB 4.42Å; V439-T502 HydrophobicContact CG1-CG2 3.93Å; V439-T502 HydrophobicContact CG2-CG2 4.35Å; V439-L505 HydrophobicContact CG2-CD1 3.82Å; V439-V527 HydrophobicContact CG1-CG1 4.29Å; V439-V527 HydrophobicContact CG1-CG2 4.34Å; V439-F533 HydrophobicContact CG1-CE1 4.49Å; V439-F533 HydrophobicContact CG1-CZ 4.45Å; V439-F533 HydrophobicContact CG2-CE1 4.33Å
440	V	92.1	Very high	84	Confident	56 Å²	56	30.2 Å²	30.2	34%	0.339	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122	172.1	-174.1	0	0	0	0	107.7	R446 G500 T502	V440-R446 HydrophobicContact CG2-CG 4.4Å; V440-G500 WeakPolarHBondContact CG1-O 3.43Å; V440-T502 PolarHBondContact N-OG1 3.23Å; V440-T502 WeakPolarHBondContact O-CB 3.44Å; V440-T502 PolarHBondContact O-N 3.07Å; V440-T502 PolarHBondContact O-OG1 2.85Å
441	S	84.3	Confident	85.9	Confident	7 Å²	7	29.7 Å²	29.7	5%	0.049	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	143.5	179.3	162.7	0	0	0	0	110.5	R443 N444 G445 N531	S441-R443 VanDerWaalsContact C-N 3.26Å; S441-R443 PolarHBondContact O-N 2.86Å; S441-R443 PolarHBondContact OG-N 3.39Å; S441-R443 VanDerWaalsContact OG-N 3.14Å; S441-N444 PolarHBondContact OG-N 3.04Å; S441-G445 WeakPolarHBondContact CB-O 3.45Å; S441-G445 PolarHBondContact N-O 2.79Å; S441-G445 PolarHBondContact O-N 2.68Å; S441-N531 WeakPolarHBondContact CB-OD1 3.23Å; S441-N531 PolarHBondContact OG-ND2 3.11Å; S441-N531 PolarHBondContact OG-OD1 3.22Å
442	S	75.1	Confident	87.5	Confident	66 Å²	66	29.5 Å²	29.5	46%	0.462	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.8	173.6	58.5	0	0	0	0	114.2
443	R	71.9	Confident	89.2	Confident	163 Å²	163	29.5 Å²	29.5	62%	0.615	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-40.9	-174.3	-69.2	-168.1	-175.8	-167.4	2.1	115.1	S441 E529	S441-R443 VanDerWaalsContact C-N 3.26Å; S441-R443 PolarHBondContact O-N 2.86Å; S441-R443 PolarHBondContact OG-N 3.39Å; S441-R443 VanDerWaalsContact OG-N 3.14Å; R443-E529 VanDerWaalsContact CD-O 3.29Å; R443-E529 WeakPolarHBondContact CD-O 3.23Å; R443-E529 PolarHBondContact NE-O 2.8Å
444	N	66.9	Low	89.6	Confident	99 Å²	99	35.1 Å²	35.1	53%	0.529	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	9.5	-171.4	-69.7	-5.4	0	0	0	112.6	S441 R446 L447 N531	S441-N444 PolarHBondContact OG-N 3.04Å; N444-R446 PolarHBondContact O-N 2.83Å; N444-L447 HydrophobicContact CB-CD2 4.14Å; N444-N531 WeakPolarHBondContact CB-ND2 3.12Å; N444-N531 PolarHBondContact ND2-ND2 2.75Å
445	G	82	Confident	89.3	Confident	38 Å²	38	33 Å²	33	39%	0.392	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61.4	-132.7	-172.4	0	0	0	0	0	110.6	S441	S441-G445 WeakPolarHBondContact CB-O 3.45Å; S441-G445 PolarHBondContact N-O 2.79Å; S441-G445 PolarHBondContact O-N 2.68Å
446	R	88.9	Confident	88.8	Confident	70 Å²	70	36.8 Å²	36.8	26%	0.264	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.2	-171	-156.9	173.5	113.9	131	16	112.6	H379 N380 V381 S438 V440 N444	H379-R446 PolarHBondContact CD2-NH2 2.83Å; H379-R446 PolarHBondContact NE2-NH2 3.35Å; N380-R446 PolarHBondContact O-NH1 3.1Å; N380-R446 PolarHBondContact O-NH2 3.18Å; V381-R446 VanDerWaalsContact CA-NH2 3.3Å; S438-R446 PolarHBondContact OG-NE 3.08Å; S438-R446 PolarHBondContact OG-NH1 3Å; S438-R446 PolarHBondContact OG-NH2 3.07Å; V440-R446 HydrophobicContact CG2-CG 4.4Å; N444-R446 PolarHBondContact O-N 2.83Å
447	L	92.9	Very high	88.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.8	173.2	-58.6	-179.6	0	0	0	110.2	S438 V439 N444 I463 T465 L475 N531	S438-L447 CarbonylContact C-O 3.58Å; S438-L447 WeakPolarHBondContact CA-O 3.32Å; S438-L447 VanDerWaalsContact CB-O 3.23Å; S438-L447 WeakPolarHBondContact CB-O 3.39Å; V439-L447 PolarHBondContact N-O 2.81Å; V439-L447 PolarHBondContact O-N 2.72Å; N444-L447 HydrophobicContact CB-CD2 4.14Å; L447-I463 HydrophobicContact CB-CG2 4.03Å; L447-I463 HydrophobicContact CD1-CG2 4.16Å; L447-T465 HydrophobicContact CD2-CG2 3.75Å; L447-L475 HydrophobicContact CD1-CD1 4.36Å; L447-L475 HydrophobicContact CD2-CD1 3.7Å; L447-N531 HydrophobicContact CD1-CB 4.36Å
448	L	94.8	Very high	87.9	Confident	12 Å²	12	40 Å²	40	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	146.1	177.6	-57.5	179.3	0	0	0	110	V381 L386 I463 F464 L466	V381-L448 HydrophobicContact CG1-CD2 4.07Å; L386-L448 HydrophobicContact CD1-CD1 4.16Å; L386-L448 HydrophobicContact CD2-CB 4.45Å; L386-L448 HydrophobicContact CD2-CD1 4.11Å; L386-L448 HydrophobicContact CD2-CD2 4.12Å; L386-L448 HydrophobicContact CD2-CG 4.45Å; L448-I463 CarbonylContact O-C 3.59Å; L448-I463 WeakPolarHBondContact O-CA 3.44Å; L448-F464 HydrophobicContact CB-CD1 4.33Å; L448-F464 HydrophobicContact CB-CD2 4.02Å; L448-F464 HydrophobicContact CB-CE1 3.9Å; L448-F464 HydrophobicContact CB-CE2 3.57Å; L448-F464 HydrophobicContact CB-CG 4.38Å; L448-F464 HydrophobicContact CB-CZ 3.48Å; L448-F464 VanDerWaalsContact CB-CZ 3.48Å; L448-F464 HydrophobicContact CD1-CD2 4.38Å; L448-F464 HydrophobicContact CD1-CE2 3.65Å; L448-F464 HydrophobicContact CD1-CZ 4.14Å; L448-F464 HydrophobicContact CG-CE2 4.25Å; L448-F464 HydrophobicContact CG-CZ 4.48Å; L448-F464 PolarHBondContact N-O 3.43Å; L448-F464 WeakPolarHBondContact O-CD1 3.37Å; L448-F464 PolarHBondContact O-N 3.25Å; L448-L466 HydrophobicContact CD1-CB 3.75Å; L448-L466 HydrophobicContact CD1-CD2 4.5Å
449	V	95.9	Very high	87.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.7	-179.1	-174.5	0	0	0	0	108.9	V436 T437 V439 V461 I462 I463 I491 L505	V436-V449 WeakPolarHBondContact CA-O 3.3Å; T437-V449 HydrophobicContact CG2-CB 3.86Å; T437-V449 HydrophobicContact CG2-CG1 4.37Å; T437-V449 HydrophobicContact CG2-CG2 4.5Å; T437-V449 PolarHBondContact N-O 3.19Å; T437-V449 PolarHBondContact O-N 2.79Å; V439-V449 HydrophobicContact CB-CG2 4.47Å; V439-V449 HydrophobicContact CG2-CG2 3.69Å; V449-V461 HydrophobicContact CG1-CG1 3.47Å; V449-V461 VanDerWaalsContact CG1-CG1 3.47Å; V449-I462 WeakPolarHBondContact CA-O 2.9Å; V449-I463 HydrophobicContact CG1-CG1 4.3Å; V449-I463 HydrophobicContact CG2-CG1 4Å; V449-I463 HydrophobicContact CG2-CG2 4.38Å; V449-I491 HydrophobicContact CG1-CD1 4.03Å; V449-I491 HydrophobicContact CG1-CG2 4.08Å; V449-L505 HydrophobicContact CG1-CD2 4.4Å
450	A	95.5	Very high	87.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.5	173.8	0	0	0	0	0	111.6	V399 T435 V436 V461 I462 F464	V399-A450 HydrophobicContact CG1-CB 3.84Å; T435-A450 VanDerWaalsContact O-CA 3.27Å; T435-A450 WeakPolarHBondContact O-CA 3.45Å; V436-A450 HydrophobicContact CG1-CB 4.41Å; A450-V461 WeakPolarHBondContact O-CA 3.36Å; A450-I462 HydrophobicContact CB-CD1 4.41Å; A450-I462 HydrophobicContact CB-CG1 4.02Å; A450-I462 PolarHBondContact N-O 3.38Å; A450-I462 WeakPolarHBondContact O-CG1 3.36Å; A450-I462 PolarHBondContact O-N 3.05Å; A450-F464 HydrophobicContact CB-CE1 3.78Å
451	G	94.7	Very high	87.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146.2	173.7	0	0	0	0	0	112.6	G433 Y434 T435 G488	G433-G451 PolarHBondContact N-O 2.83Å; Y434-G451 PolarHBondContact N-O 3.5Å; T435-G451 PolarHBondContact O-N 2.99Å; T435-G451 VanDerWaalsContact O-N 3.07Å; T435-G451 VanDerWaalsContact OG1-CA 3.31Å; T435-G451 WeakPolarHBondContact OG1-CA 2.71Å; T435-G451 PolarHBondContact OG1-N 3.19Å; G451-G488 WeakPolarHBondContact CA-O 3.33Å
452	A	93.6	Very high	88.2	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	74.5	176.4	0	0	0	0	0	109	F419 R454 F455 G459 K460	F419-A452 HydrophobicContact CE1-CB 4.38Å; F419-A452 HydrophobicContact CZ-CB 4.4Å; A452-R454 PolarHBondContact O-N 2.79Å; A452-R454 VanDerWaalsContact O-N 3.13Å; A452-F455 HydrophobicContact CB-CB 4.25Å; A452-F455 WeakPolarHBondContact O-CB 3.15Å; A452-F455 PolarHBondContact O-N 2.81Å; A452-F455 VanDerWaalsContact O-N 3.09Å; A452-G459 WeakPolarHBondContact O-CA 3.45Å; A452-K460 CarbonylContact C-O 3.45Å; A452-K460 WeakPolarHBondContact CA-O 2.88Å; A452-K460 HydrophobicContact CB-CB 4.49Å; A452-K460 PolarHBondContact N-O 3.15Å; A452-K460 PolarHBondContact O-N 3.15Å
453	P	93.3	Very high	89.1	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.5	-168.4	25.8	-35.3	0	0	0	115.1	Y434 G459 Y486 Y487	Y434-P453 VanDerWaalsContact CB-CD 3.49Å; Y434-P453 HydrophobicContact CD1-CG 3.98Å; Y434-P453 HydrophobicContact CD2-CG 3.94Å; Y434-P453 HydrophobicContact CG-CG 3.64Å; P453-G459 WeakPolarHBondContact O-CA 3.42Å; P453-Y486 HydrophobicContact CB-CD1 3.99Å; P453-Y486 HydrophobicContact CB-CD2 3.92Å; P453-Y486 HydrophobicContact CB-CE1 4.14Å; P453-Y486 HydrophobicContact CB-CE2 4.1Å; P453-Y486 HydrophobicContact CB-CG 3.85Å; P453-Y486 HydrophobicContact CG-CD1 4.42Å; P453-Y486 HydrophobicContact CG-CE1 4.09Å; P453-Y486 HydrophobicContact CG-CE2 4.29Å; P453-Y487 VanDerWaalsContact CA-O 3.3Å; P453-Y487 WeakPolarHBondContact CA-O 3.36Å
454	R	88.8	Confident	90.1	Very high	118 Å²	118	25.9 Å²	25.9	45%	0.445	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-10.5	176.7	-68.8	-170.1	65.4	123.8	0.9	114.3	G427 A428 A452 N456 H457 Y486	G427-R454 PolarHBondContact O-NH2 3Å; A428-R454 CarbonylContact C-O 3.54Å; A428-R454 VanDerWaalsContact C-O 3.31Å; A428-R454 CarbonylContact O-C 3.47Å; A452-R454 PolarHBondContact O-N 2.79Å; A452-R454 VanDerWaalsContact O-N 3.13Å; R454-N456 PolarHBondContact O-N 3.33Å; R454-H457 WeakPolarHBondContact O-CA 3.34Å; R454-H457 PolarHBondContact O-N 2.68Å; R454-Y486 HydrophobicContact CG-CE2 3.96Å
455	F	87.1	Confident	91.3	Very high	18 Å²	18	23.4 Å²	23.4	8%	0.079	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-55.3	124.5	-176	175.3	-92.4	0	0	0	111.4	F419 A428 A452 H457 T458 G459 K460	F419-F455 AromaticContact CD1-CD2 3.59Å; F419-F455 HydrophobicContact CD1-CD2 3.59Å; F419-F455 AromaticContact CD1-CE2 3.81Å; F419-F455 HydrophobicContact CD1-CE2 3.81Å; F419-F455 AromaticContact CE1-CD2 3.45Å; F419-F455 HydrophobicContact CE1-CD2 3.45Å; F419-F455 VanDerWaalsContact CE1-CD2 3.45Å; F419-F455 AromaticContact CE1-CE2 3.99Å; F419-F455 HydrophobicContact CE1-CE2 3.99Å; F419-F455 HydrophobicContact CE1-CG 4.27Å; A428-F455 CarbonylContact O-C 3.58Å; A428-F455 WeakPolarHBondContact O-CA 3.3Å; A452-F455 HydrophobicContact CB-CB 4.25Å; A452-F455 WeakPolarHBondContact O-CB 3.15Å; A452-F455 PolarHBondContact O-N 2.81Å; A452-F455 VanDerWaalsContact O-N 3.09Å; F455-H457 PolarHBondContact O-N 2.97Å; F455-T458 PolarHBondContact O-N 2.72Å; F455-T458 VanDerWaalsContact O-N 3.08Å; F455-G459 PolarHBondContact O-N 3.35Å; F455-K460 HydrophobicContact CB-CB 3.69Å; F455-K460 HydrophobicContact CD1-CB 3.57Å; F455-K460 HydrophobicContact CD1-CD 3.63Å; F455-K460 HydrophobicContact CD1-CG 4.16Å; F455-K460 HydrophobicContact CD2-CD 4.01Å; F455-K460 HydrophobicContact CE1-CB 4.39Å; F455-K460 HydrophobicContact CE1-CD 3.68Å; F455-K460 HydrophobicContact CE2-CD 4.05Å; F455-K460 HydrophobicContact CG-CB 3.71Å; F455-K460 HydrophobicContact CG-CD 3.79Å; F455-K460 HydrophobicContact CG-CG 4.42Å; F455-K460 HydrophobicContact CZ-CD 3.88Å
456	N	83.9	Confident	91.8	Very high	89 Å²	89	22.5 Å²	22.5	48%	0.476	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	51.5	26.1	-177.9	-164	35.2	0	0	0	113.3	A428 R454 T458	A428-N456 PolarHBondContact O-N 3.24Å; R454-N456 PolarHBondContact O-N 3.33Å; N456-T458 PolarHBondContact O-N 2.69Å
457	H	85.8	Confident	91.8	Very high	72 Å²	72	25.4 Å²	25.4	33%	0.333	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	56.3	-6	-169.9	-55.1	109.2	0	0	0	116	H426 A428 R454 F455 I483 G484	H426-H457 PolarHBondContact O-CE1 3.32Å; A428-H457 WeakPolarHBondContact CA-NE2 3.45Å; A428-H457 WeakPolarHBondContact CB-CE1 3.21Å; A428-H457 WeakPolarHBondContact CB-ND1 3.36Å; A428-H457 PolarHBondContact N-NE2 2.97Å; R454-H457 WeakPolarHBondContact O-CA 3.34Å; R454-H457 PolarHBondContact O-N 2.68Å; F455-H457 PolarHBondContact O-N 2.97Å; H457-I483 HydrophobicContact CB-CD1 3.85Å; H457-I483 HydrophobicContact CB-CG1 3.52Å; H457-I483 CarbonylContact O-C 3.53Å; H457-G484 PolarHBondContact O-N 2.93Å
458	T	89.3	Confident	91.6	Very high	22 Å²	22	28.8 Å²	28.8	14%	0.135	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-26.4	178.9	63.9	0	0	0	0	112.8	F455 N456 G480 Q482 I483 S485 Y487	F455-T458 PolarHBondContact O-N 2.72Å; F455-T458 VanDerWaalsContact O-N 3.08Å; N456-T458 PolarHBondContact O-N 2.69Å; T458-G480 VanDerWaalsContact CB-O 3.23Å; T458-G480 WeakPolarHBondContact CB-O 3.36Å; T458-G480 PolarHBondContact OG1-O 2.94Å; T458-Q482 WeakPolarHBondContact CA-O 3.23Å; T458-I483 HydrophobicContact CG2-CB 4.37Å; T458-S485 PolarHBondContact O-OG 3.35Å; T458-Y487 VanDerWaalsContact O-CB 3.31Å; T458-Y487 WeakPolarHBondContact O-CB 3.12Å
459	G	91.9	Very high	91.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	97.8	156.2	-178.5	0	0	0	0	0	113.9	A452 P453 F455 G480 Y487	A452-G459 WeakPolarHBondContact O-CA 3.45Å; P453-G459 WeakPolarHBondContact O-CA 3.42Å; F455-G459 PolarHBondContact O-N 3.35Å; G459-G480 PolarHBondContact O-N 2.86Å; G459-Y487 WeakPolarHBondContact CA-O 3.49Å
460	K	92	Very high	90.7	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.013	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	152.3	-178.7	-172.4	176.1	-175.5	177.6	0	110.7	E418 F419 A452 F455 S477 L478	E418-K460 PolarHBondContact O-NZ 2.67Å; E418-K460 VanDerWaalsContact OE2-CE 3.32Å; E418-K460 WeakPolarHBondContact OE2-CE 3.48Å; E418-K460 IonicContact OE2-NZ 3.81Å; E418-K460 PolarHBondContact OE2-NZ 3.18Å; F419-K460 HydrophobicContact CE1-CD 4.43Å; F419-K460 HydrophobicContact CZ-CD 4.36Å; A452-K460 CarbonylContact C-O 3.45Å; A452-K460 WeakPolarHBondContact CA-O 2.88Å; A452-K460 HydrophobicContact CB-CB 4.49Å; A452-K460 PolarHBondContact N-O 3.15Å; A452-K460 PolarHBondContact O-N 3.15Å; F455-K460 HydrophobicContact CB-CB 3.69Å; F455-K460 HydrophobicContact CD1-CB 3.57Å; F455-K460 HydrophobicContact CD1-CD 3.63Å; F455-K460 HydrophobicContact CD1-CG 4.16Å; F455-K460 HydrophobicContact CD2-CD 4.01Å; F455-K460 HydrophobicContact CE1-CB 4.39Å; F455-K460 HydrophobicContact CE1-CD 3.68Å; F455-K460 HydrophobicContact CE2-CD 4.05Å; F455-K460 HydrophobicContact CG-CB 3.71Å; F455-K460 HydrophobicContact CG-CD 3.79Å; F455-K460 HydrophobicContact CG-CG 4.42Å; F455-K460 HydrophobicContact CZ-CD 3.88Å; K460-S477 WeakPolarHBondContact CE-OG 3.28Å; K460-S477 WeakPolarHBondContact CG-OG 3.38Å; K460-L478 CarbonylContact C-O 3.44Å; K460-L478 WeakPolarHBondContact CA-O 3.45Å; K460-L478 WeakPolarHBondContact CG-O 3.32Å
461	V	95.1	Very high	90.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.5	169.5	176.1	0	0	0	0	108.5	V449 A450 I463 S477 L478 Y487 I491 V507	V449-V461 HydrophobicContact CG1-CG1 3.47Å; V449-V461 VanDerWaalsContact CG1-CG1 3.47Å; A450-V461 WeakPolarHBondContact O-CA 3.36Å; V461-I463 HydrophobicContact CG1-CD1 4.36Å; V461-S477 CarbonylContact O-C 3.59Å; V461-S477 VanDerWaalsContact O-CA 3.31Å; V461-S477 WeakPolarHBondContact O-CA 3.19Å; V461-S477 PolarHBondContact O-OG 2.98Å; V461-L478 HydrophobicContact CB-CB 4.26Å; V461-L478 PolarHBondContact N-O 3.15Å; V461-L478 PolarHBondContact O-N 3.04Å; V461-Y487 HydrophobicContact CG2-CD1 4.42Å; V461-Y487 HydrophobicContact CG2-CE1 3.87Å; V461-I491 HydrophobicContact CB-CD1 4.34Å; V461-I491 HydrophobicContact CG1-CD1 3.75Å; V461-I491 HydrophobicContact CG2-CD1 3.64Å; V461-I491 HydrophobicContact CG2-CG1 4.39Å; V461-V507 HydrophobicContact CG2-CG1 3.6Å; V461-V507 HydrophobicContact CG2-CG2 4.22Å
462	I	93.3	Very high	90.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.4	175.5	58.2	170.2	0	0	0	110.1	Y415 F419 V449 A450 F464 I474	Y415-I462 HydrophobicContact CE1-CD1 4.42Å; F419-I462 HydrophobicContact CE2-CD1 4.48Å; F419-I462 HydrophobicContact CE2-CG2 4.4Å; F419-I462 HydrophobicContact CZ-CG2 4.39Å; V449-I462 WeakPolarHBondContact CA-O 2.9Å; A450-I462 HydrophobicContact CB-CD1 4.41Å; A450-I462 HydrophobicContact CB-CG1 4.02Å; A450-I462 PolarHBondContact N-O 3.38Å; A450-I462 WeakPolarHBondContact O-CG1 3.36Å; A450-I462 PolarHBondContact O-N 3.05Å; I462-F464 HydrophobicContact CD1-CD1 4.25Å; I462-F464 HydrophobicContact CG1-CD1 4.18Å; I462-I474 HydrophobicContact CB-CG2 4.27Å; I462-I474 HydrophobicContact CD1-CD1 4.31Å; I462-I474 HydrophobicContact CG2-CG2 4.43Å
463	I	93.9	Very high	90	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.7	174.2	-58.5	91.2	0	0	0	107.2	L447 L448 V449 V461 L475 H476 L478 F533	L447-I463 HydrophobicContact CB-CG2 4.03Å; L447-I463 HydrophobicContact CD1-CG2 4.16Å; L448-I463 CarbonylContact O-C 3.59Å; L448-I463 WeakPolarHBondContact O-CA 3.44Å; V449-I463 HydrophobicContact CG1-CG1 4.3Å; V449-I463 HydrophobicContact CG2-CG1 4Å; V449-I463 HydrophobicContact CG2-CG2 4.38Å; V461-I463 HydrophobicContact CG1-CD1 4.36Å; I463-L475 PolarHBondContact O-N 3.26Å; I463-H476 HydrophobicContact CB-CB 4.21Å; I463-H476 HydrophobicContact CD1-CB 3.96Å; I463-H476 PolarHBondContact N-O 2.86Å; I463-H476 PolarHBondContact O-N 3.17Å; I463-L478 HydrophobicContact CD1-CD1 4.1Å; I463-L478 HydrophobicContact CD1-CG 4Å; I463-F533 HydrophobicContact CB-CE2 4.29Å; I463-F533 HydrophobicContact CB-CZ 4.45Å; I463-F533 HydrophobicContact CD1-CD2 4.31Å; I463-F533 HydrophobicContact CD1-CE2 4.27Å; I463-F533 HydrophobicContact CD1-CZ 4.48Å; I463-F533 HydrophobicContact CG1-CE1 4.39Å; I463-F533 HydrophobicContact CG1-CE2 3.99Å; I463-F533 HydrophobicContact CG1-CZ 3.91Å; I463-F533 HydrophobicContact CG2-CE2 4Å; I463-F533 HydrophobicContact CG2-CZ 3.97Å
464	F	92.5	Very high	89.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	166.3	-167.8	65.3	-84.8	0	0	0	112.7	V399 L448 A450 I462 L466 L472 T473 I474	V399-F464 HydrophobicContact CB-CZ 4.09Å; V399-F464 HydrophobicContact CG1-CZ 4.03Å; V399-F464 HydrophobicContact CG2-CE1 4.23Å; V399-F464 HydrophobicContact CG2-CE2 3.48Å; V399-F464 VanDerWaalsContact CG2-CE2 3.48Å; V399-F464 HydrophobicContact CG2-CZ 3.28Å; L448-F464 HydrophobicContact CB-CD1 4.33Å; L448-F464 HydrophobicContact CB-CD2 4.02Å; L448-F464 HydrophobicContact CB-CE1 3.9Å; L448-F464 HydrophobicContact CB-CE2 3.57Å; L448-F464 HydrophobicContact CB-CG 4.38Å; L448-F464 HydrophobicContact CB-CZ 3.48Å; L448-F464 VanDerWaalsContact CB-CZ 3.48Å; L448-F464 HydrophobicContact CD1-CD2 4.38Å; L448-F464 HydrophobicContact CD1-CE2 3.65Å; L448-F464 HydrophobicContact CD1-CZ 4.14Å; L448-F464 HydrophobicContact CG-CE2 4.25Å; L448-F464 HydrophobicContact CG-CZ 4.48Å; L448-F464 PolarHBondContact N-O 3.43Å; L448-F464 WeakPolarHBondContact O-CD1 3.37Å; L448-F464 PolarHBondContact O-N 3.25Å; A450-F464 HydrophobicContact CB-CE1 3.78Å; I462-F464 HydrophobicContact CD1-CD1 4.25Å; I462-F464 HydrophobicContact CG1-CD1 4.18Å; F464-L466 HydrophobicContact CD2-CB 4.36Å; F464-L466 HydrophobicContact CE2-CB 4.16Å; F464-L472 HydrophobicContact CB-CD2 4.26Å; F464-L472 HydrophobicContact CB-CG 4.41Å; F464-L472 HydrophobicContact CD2-CD1 3.54Å; F464-L472 HydrophobicContact CD2-CD2 4.34Å; F464-L472 HydrophobicContact CD2-CG 3.7Å; F464-L472 HydrophobicContact CE2-CD1 3.7Å; F464-L472 HydrophobicContact CE2-CG 4.35Å; F464-L472 HydrophobicContact CG-CD1 4.25Å; F464-L472 HydrophobicContact CG-CD2 4.43Å; F464-L472 HydrophobicContact CG-CG 4.27Å; F464-T473 CarbonylContact C-O 3.57Å; F464-T473 WeakPolarHBondContact CA-O 3.49Å; F464-T473 VanDerWaalsContact CB-O 3.24Å; F464-T473 WeakPolarHBondContact CB-O 3.27Å; F464-I474 HydrophobicContact CB-CG1 4.25Å
465	T	92.5	Very high	89.9	Confident	47 Å²	47	40.9 Å²	40.9	29%	0.288	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	145.7	167.4	57.3	0	0	0	0	109.5	L447 L472 T473 L475	L447-T465 HydrophobicContact CD2-CG2 3.75Å; T465-L472 WeakPolarHBondContact O-CA 3.05Å; T465-T473 PolarHBondContact N-O 2.73Å; T465-T473 PolarHBondContact O-N 3.18Å; T465-L475 HydrophobicContact CG2-CD1 3.96Å
466	L	91.4	Very high	90.1	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.099	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	111.9	178.5	176.3	58.3	0	0	0	109.7	L386 K401 V408 P410 L448 F464 L472	L386-L466 HydrophobicContact CD1-CD2 4.17Å; K401-L466 HydrophobicContact CB-CD2 3.9Å; K401-L466 HydrophobicContact CD-CD2 4.33Å; V408-L466 HydrophobicContact CG1-CD1 4.22Å; V408-L466 HydrophobicContact CG1-CG 4.43Å; P410-L466 HydrophobicContact CG-CD1 3.79Å; P410-L466 HydrophobicContact CG-CD2 4.46Å; L448-L466 HydrophobicContact CD1-CB 3.75Å; L448-L466 HydrophobicContact CD1-CD2 4.5Å; F464-L466 HydrophobicContact CD2-CB 4.36Å; F464-L466 HydrophobicContact CE2-CB 4.16Å; L466-L472 HydrophobicContact CD1-CB 4.11Å
467	K	89.4	Confident	90.4	Very high	130 Å²	130	40.7 Å²	40.7	57%	0.565	22%	0.219	S	C	*	.			trans	-79.6	154.9	173.9	-65.3	-175.9	178.2	-179.9	0	110.6	T469 G470 N471	K467-T469 PolarHBondContact O-N 3.09Å; K467-T469 VanDerWaalsContact O-N 3.09Å; K467-G470 PolarHBondContact O-N 3.4Å; K467-N471 PolarHBondContact N-O 2.98Å
468	N	88.6	Confident	90.8	Very high	72 Å²	72	38.1 Å²	38.1	39%	0.385	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.4	177.8	-69.8	6.1	0	0	0	113.5	D383 K401 V408 G470	D383-N468 PolarHBondContact OD2-ND2 3.18Å; D383-N468 PolarHBondContact OD2-OD1 3.31Å; D383-N468 VanDerWaalsContact OD2-OD1 3.09Å; K401-N468 VanDerWaalsContact CE-OD1 3.31Å; K401-N468 WeakPolarHBondContact CE-OD1 3.44Å; K401-N468 PolarHBondContact NZ-OD1 3.05Å; V408-N468 WeakPolarHBondContact CG2-O 3.43Å; N468-G470 PolarHBondContact O-N 3.24Å
469	T	86.7	Confident	91	Very high	123 Å²	123	43.2 Å²	43.2	76%	0.755	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-5.8	171.1	57.1	0	0	0	0	113.7	K467 N471	K467-T469 PolarHBondContact O-N 3.09Å; K467-T469 VanDerWaalsContact O-N 3.09Å; T469-N471 VanDerWaalsContact C-N 3.34Å
470	G	85.1	Confident	90.9	Very high	5 Å²	5	43.5 Å²	43.5	5%	0.052	23%	0.231	C	C	.	.	S	Bend	trans	88.1	-2.6	-174.5	0	0	0	0	0	114.2	P410 K467 N468 L472	P410-G470 WeakPolarHBondContact CA-O 3.24Å; K467-G470 PolarHBondContact O-N 3.4Å; N468-G470 PolarHBondContact O-N 3.24Å; G470-L472 PolarHBondContact O-N 2.8Å
471	N	88.8	Confident	90.8	Very high	82 Å²	82	50.6 Å²	50.6	44%	0.439	26%	0.264	S	S	.	.			trans	-71.2	114.1	175.4	-169.2	-8	0	0	0	110.1	K467 T469	K467-N471 PolarHBondContact N-O 2.98Å; T469-N471 VanDerWaalsContact C-N 3.34Å
472	L	91.1	Very high	90.8	Very high	8 Å²	8	53 Å²	53	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131	177.6	-177.2	150.4	0	0	0	109.8	V399 P410 Y415 F464 T465 L466 G470 I474	V399-L472 HydrophobicContact CG2-CD1 3.78Å; P410-L472 HydrophobicContact CB-CB 4.03Å; P410-L472 HydrophobicContact CB-CD1 4.21Å; P410-L472 HydrophobicContact CG-CB 4.34Å; P410-L472 HydrophobicContact CG-CD1 3.98Å; Y415-L472 HydrophobicContact CE1-CD1 3.96Å; Y415-L472 HydrophobicContact CE1-CD2 4.22Å; Y415-L472 WeakPolarHBondContact OH-CD1 3.34Å; F464-L472 HydrophobicContact CB-CD2 4.26Å; F464-L472 HydrophobicContact CB-CG 4.41Å; F464-L472 HydrophobicContact CD2-CD1 3.54Å; F464-L472 HydrophobicContact CD2-CD2 4.34Å; F464-L472 HydrophobicContact CD2-CG 3.7Å; F464-L472 HydrophobicContact CE2-CD1 3.7Å; F464-L472 HydrophobicContact CE2-CG 4.35Å; F464-L472 HydrophobicContact CG-CD1 4.25Å; F464-L472 HydrophobicContact CG-CD2 4.43Å; F464-L472 HydrophobicContact CG-CG 4.27Å; T465-L472 WeakPolarHBondContact O-CA 3.05Å; L466-L472 HydrophobicContact CD1-CB 4.11Å; G470-L472 PolarHBondContact O-N 2.8Å; L472-I474 HydrophobicContact CD2-CD1 4.28Å; L472-I474 HydrophobicContact CD2-CG1 3.63Å
473	T	90.7	Very high	90.7	Very high	64 Å²	64	58.7 Å²	58.7	39%	0.393	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.6	177.4	-50.3	0	0	0	0	109.9	F464 T465 L475	F464-T473 CarbonylContact C-O 3.57Å; F464-T473 WeakPolarHBondContact CA-O 3.49Å; F464-T473 VanDerWaalsContact CB-O 3.24Å; F464-T473 WeakPolarHBondContact CB-O 3.27Å; T465-T473 PolarHBondContact N-O 2.73Å; T465-T473 PolarHBondContact O-N 3.18Å; T473-L475 HydrophobicContact CG2-CD2 4.4Å
474	I	89.8	Confident	90.6	Very high	37 Å²	37	60.8 Å²	60.8	19%	0.19	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.6	176.5	-56.4	175.2	0	0	0	108.4	E418 I462 F464 L472	E418-I474 HydrophobicContact CB-CD1 3.94Å; E418-I474 HydrophobicContact CG-CB 4.42Å; E418-I474 HydrophobicContact CG-CD1 3.52Å; E418-I474 HydrophobicContact CG-CG2 4.13Å; I462-I474 HydrophobicContact CB-CG2 4.27Å; I462-I474 HydrophobicContact CD1-CD1 4.31Å; I462-I474 HydrophobicContact CG2-CG2 4.43Å; F464-I474 HydrophobicContact CB-CG1 4.25Å; L472-I474 HydrophobicContact CD2-CD1 4.28Å; L472-I474 HydrophobicContact CD2-CG1 3.63Å
475	L	89.6	Confident	90.7	Very high	67 Å²	67	60.8 Å²	60.8	35%	0.351	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-41.7	-177.3	-59	-179.3	0	0	0	111.7	L447 I463 T465 T473	L447-L475 HydrophobicContact CD1-CD1 4.36Å; L447-L475 HydrophobicContact CD2-CD1 3.7Å; I463-L475 PolarHBondContact O-N 3.26Å; T465-L475 HydrophobicContact CG2-CD1 3.96Å; T473-L475 HydrophobicContact CG2-CD2 4.4Å
476	H	90	Very high	90.8	Very high	65 Å²	65	61 Å²	61	30%	0.301	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.8	-178.4	-61.5	-69.7	0	0	0	111.1	I463 N531 F533	I463-H476 HydrophobicContact CB-CB 4.21Å; I463-H476 HydrophobicContact CD1-CB 3.96Å; I463-H476 PolarHBondContact N-O 2.86Å; I463-H476 PolarHBondContact O-N 3.17Å; H476-N531 PolarHBondContact CD2-O 2.85Å; H476-N531 PolarHBondContact NE2-O 3.09Å; H476-F533 HydrophobicContact CB-CD2 4.24Å; H476-F533 AromaticContact CD2-CD2 3.88Å; H476-F533 AromaticContact CD2-CE2 3.75Å
477	S	91.6	Very high	91	Very high	37 Å²	37	60.1 Å²	60.1	26%	0.259	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.7	169.6	-177.6	0	0	0	0	112	K460 V461	K460-S477 WeakPolarHBondContact CE-OG 3.28Å; K460-S477 WeakPolarHBondContact CG-OG 3.38Å; V461-S477 CarbonylContact O-C 3.59Å; V461-S477 VanDerWaalsContact O-CA 3.31Å; V461-S477 WeakPolarHBondContact O-CA 3.19Å; V461-S477 PolarHBondContact O-OG 2.98Å
478	L	94.6	Very high	91.3	Very high	19 Å²	19	54 Å²	54	10%	0.099	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.3	175.8	-46.1	176.1	0	0	0	108.7	K460 V461 I463 Y487 L505 V507 Y525 F533	K460-L478 CarbonylContact C-O 3.44Å; K460-L478 WeakPolarHBondContact CA-O 3.45Å; K460-L478 WeakPolarHBondContact CG-O 3.32Å; V461-L478 HydrophobicContact CB-CB 4.26Å; V461-L478 PolarHBondContact N-O 3.15Å; V461-L478 PolarHBondContact O-N 3.04Å; I463-L478 HydrophobicContact CD1-CD1 4.1Å; I463-L478 HydrophobicContact CD1-CG 4Å; L478-Y487 HydrophobicContact CB-CE1 4.48Å; L478-Y487 WeakPolarHBondContact CB-OH 3.27Å; L478-L505 HydrophobicContact CD1-CD2 4.18Å; L478-V507 HydrophobicContact CD1-CG2 4.44Å; L478-Y525 HydrophobicContact CD1-CD1 4.14Å; L478-Y525 HydrophobicContact CD1-CD2 3.98Å; L478-Y525 HydrophobicContact CD1-CE1 4.2Å; L478-Y525 HydrophobicContact CD1-CE2 4.04Å; L478-Y525 HydrophobicContact CD1-CG 4.04Å; L478-Y525 HydrophobicContact CD2-CD1 4.27Å; L478-Y525 HydrophobicContact CD2-CE1 4.12Å; L478-F533 HydrophobicContact CD1-CB 4.48Å; L478-F533 HydrophobicContact CD2-CB 4Å
479	K	92.3	Very high	91.6	Very high	128 Å²	128	51.1 Å²	51.1	56%	0.557	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.8	-174.8	-63.4	-178.5	-177.5	178.2	0	111.2	H481	K479-H481 PolarHBondContact O-CE1 2.81Å; K479-H481 PolarHBondContact O-ND1 3.28Å
480	G	91	Very high	92.1	Very high	6 Å²	6	48 Å²	48	6%	0.062	25%	0.253	C	S	.	.			trans	-74	147	168.2	0	0	0	0	0	110.8	T458 G459	T458-G480 VanDerWaalsContact CB-O 3.23Å; T458-G480 WeakPolarHBondContact CB-O 3.36Å; T458-G480 PolarHBondContact OG1-O 2.94Å; G459-G480 PolarHBondContact O-N 2.86Å
481	H	89.8	Confident	92.7	Very high	153 Å²	153	48.3 Å²	48.3	71%	0.708	25%	0.254	S	S	*	.			trans	-102.5	-29.9	-173.4	-62	77.9	0	0	0	113.2	K479	K479-H481 PolarHBondContact O-CE1 2.81Å; K479-H481 PolarHBondContact O-ND1 3.28Å
482	Q	94	Very high	93.1	Very high	49 Å²	49	44.7 Å²	44.7	23%	0.229	24%	0.235	C	C	.	.	S	Bend	trans	-103.1	129.2	-176.4	-175.1	-174.4	86.9	0	0	110.9	T458 S485 F512 F513	T458-Q482 WeakPolarHBondContact CA-O 3.23Å; Q482-S485 VanDerWaalsContact O-CB 3.28Å; Q482-S485 WeakPolarHBondContact O-CB 3.45Å; Q482-S485 PolarHBondContact O-N 3.4Å; Q482-S485 PolarHBondContact O-OG 3.23Å; Q482-F512 HydrophobicContact CB-CD2 4.08Å; Q482-F512 HydrophobicContact CB-CE2 3.95Å; Q482-F512 HydrophobicContact CG-CE2 4.45Å; Q482-F513 PolarHBondContact NE2-O 2.9Å
483	I	91.9	Very high	93.3	Very high	122 Å²	122	45.9 Å²	45.9	63%	0.626	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	140	175.5	-167.3	168.2	0	0	0	111	H457 T458 S485	H457-I483 HydrophobicContact CB-CD1 3.85Å; H457-I483 HydrophobicContact CB-CG1 3.52Å; H457-I483 CarbonylContact O-C 3.53Å; T458-I483 HydrophobicContact CG2-CB 4.37Å; I483-S485 PolarHBondContact O-N 3.43Å; I483-S485 VanDerWaalsContact O-N 3.13Å
484	G	90.5	Very high	93.6	Very high	44 Å²	44	42.9 Å²	42.9	45%	0.454	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-4.7	-179.4	0	0	0	0	0	114.8	H457 Y486 M511	H457-G484 PolarHBondContact O-N 2.93Å; G484-Y486 PolarHBondContact O-N 2.99Å; G484-Y486 VanDerWaalsContact O-N 3.13Å; G484-M511 VanDerWaalsContact O-CB 3.24Å; G484-M511 WeakPolarHBondContact O-CB 3.47Å
485	S	94.5	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-68.2	-14.7	-175.4	68.7	0	0	0	0	114.5	T458 Q482 I483 Y487 A509 M511	T458-S485 PolarHBondContact O-OG 3.35Å; Q482-S485 VanDerWaalsContact O-CB 3.28Å; Q482-S485 WeakPolarHBondContact O-CB 3.45Å; Q482-S485 PolarHBondContact O-N 3.4Å; Q482-S485 PolarHBondContact O-OG 3.23Å; I483-S485 PolarHBondContact O-N 3.43Å; I483-S485 VanDerWaalsContact O-N 3.13Å; S485-Y487 VanDerWaalsContact C-N 3.29Å; S485-Y487 PolarHBondContact O-N 2.57Å; S485-A509 CarbonylContact O-C 3.53Å; S485-A509 VanDerWaalsContact O-CA 3.27Å; S485-A509 WeakPolarHBondContact O-CA 3.03Å; S485-A509 WeakPolarHBondContact O-CB 3.4Å; S485-M511 PolarHBondContact O-N 2.78Å
486	Y	94.8	Very high	94.1	Very high	52 Å²	52	39.6 Å²	39.6	20%	0.204	21%	0.208	C	C	.	.			trans	62.7	35.2	178.1	-137.1	-122.4	0	0	0	112.8	Y434 P453 R454 G484 G488 S489 M511	Y434-Y486 HydrophobicContact CE1-CE1 4.2Å; Y434-Y486 HydrophobicContact CE2-CE1 4.23Å; Y434-Y486 VanDerWaalsContact CE2-OH 3.28Å; Y434-Y486 WeakPolarHBondContact CE2-OH 3.28Å; Y434-Y486 AromaticContact CZ-CE1 3.81Å; P453-Y486 HydrophobicContact CB-CD1 3.99Å; P453-Y486 HydrophobicContact CB-CD2 3.92Å; P453-Y486 HydrophobicContact CB-CE1 4.14Å; P453-Y486 HydrophobicContact CB-CE2 4.1Å; P453-Y486 HydrophobicContact CB-CG 3.85Å; P453-Y486 HydrophobicContact CG-CD1 4.42Å; P453-Y486 HydrophobicContact CG-CE1 4.09Å; P453-Y486 HydrophobicContact CG-CE2 4.29Å; R454-Y486 HydrophobicContact CG-CE2 3.96Å; G484-Y486 PolarHBondContact O-N 2.99Å; G484-Y486 VanDerWaalsContact O-N 3.13Å; Y486-G488 PolarHBondContact O-N 3.19Å; Y486-S489 VanDerWaalsContact O-CB 3.23Å; Y486-S489 WeakPolarHBondContact O-CB 3.43Å; Y486-S489 PolarHBondContact O-N 2.93Å; Y486-S489 PolarHBondContact O-OG 2.97Å; Y486-M511 HydrophobicContact CD1-CE 4.3Å; Y486-M511 HydrophobicContact CD2-SD 4.38Å; Y486-M511 HydrophobicContact CG-CE 4.39Å; Y486-M511 HydrophobicContact CG-SD 4.12Å
487	Y	96.8	Very high	94.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-59.1	125.3	-179.4	175.1	-87.2	0	0	0	112.4	P453 T458 G459 V461 L478 S485 V507 A508 A509 Y523 Y525	P453-Y487 VanDerWaalsContact CA-O 3.3Å; P453-Y487 WeakPolarHBondContact CA-O 3.36Å; T458-Y487 VanDerWaalsContact O-CB 3.31Å; T458-Y487 WeakPolarHBondContact O-CB 3.12Å; G459-Y487 WeakPolarHBondContact CA-O 3.49Å; V461-Y487 HydrophobicContact CG2-CD1 4.42Å; V461-Y487 HydrophobicContact CG2-CE1 3.87Å; L478-Y487 HydrophobicContact CB-CE1 4.48Å; L478-Y487 WeakPolarHBondContact CB-OH 3.27Å; S485-Y487 VanDerWaalsContact C-N 3.29Å; S485-Y487 PolarHBondContact O-N 2.57Å; Y487-V507 HydrophobicContact CD1-CG1 4.13Å; Y487-V507 HydrophobicContact CD2-CG1 3.95Å; Y487-V507 HydrophobicContact CE1-CG1 3.74Å; Y487-V507 HydrophobicContact CE2-CB 4Å; Y487-V507 HydrophobicContact CE2-CG1 3.55Å; Y487-V507 HydrophobicContact CG-CG1 4.22Å; Y487-V507 VanDerWaalsContact CZ-CG1 3.43Å; Y487-A508 CarbonylContact C-O 3.54Å; Y487-A508 WeakPolarHBondContact CA-O 3.42Å; Y487-A509 HydrophobicContact CD2-CB 4.35Å; Y487-Y523 AromaticContact CD2-CD2 3.63Å; Y487-Y523 HydrophobicContact CD2-CD2 3.63Å; Y487-Y523 AromaticContact CD2-CE2 3.67Å; Y487-Y523 HydrophobicContact CD2-CE2 3.67Å; Y487-Y523 HydrophobicContact CD2-CG 4.41Å; Y487-Y523 AromaticContact CE2-CD2 3.54Å; Y487-Y523 HydrophobicContact CE2-CD2 3.54Å; Y487-Y523 AromaticContact CE2-CE2 3.95Å; Y487-Y523 HydrophobicContact CE2-CE2 3.95Å; Y487-Y523 AromaticContact CE2-CG 3.87Å; Y487-Y523 HydrophobicContact CE2-CG 3.87Å; Y487-Y525 VanDerWaalsContact OH-CE2 3.27Å; Y487-Y525 WeakPolarHBondContact OH-CE2 3.31Å; Y487-Y525 VanDerWaalsContact OH-CZ 3.26Å; Y487-Y525 PolarHBondContact OH-OH 3.21Å
488	G	95.3	Very high	94.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	9.7	-176.2	0	0	0	0	0	114.3	T435 G451 Y486 A508	T435-G488 PolarHBondContact OG1-O 3.31Å; G451-G488 WeakPolarHBondContact CA-O 3.33Å; Y486-G488 PolarHBondContact O-N 3.19Å; G488-A508 PolarHBondContact N-O 3.07Å
489	S	94.8	Very high	94.2	Very high	12 Å²	12	43.3 Å²	43.3	8%	0.084	24%	0.238	C	C	.	.	S	Bend	trans	-78	-17.6	176.3	50.6	0	0	0	0	114.6	T435 Y486 P510	T435-S489 WeakPolarHBondContact CG2-O 3.46Å; Y486-S489 VanDerWaalsContact O-CB 3.23Å; Y486-S489 WeakPolarHBondContact O-CB 3.43Å; Y486-S489 PolarHBondContact O-N 2.93Å; Y486-S489 PolarHBondContact O-OG 2.97Å; S489-P510 WeakPolarHBondContact OG-CD 3.3Å; S489-P510 WeakPolarHBondContact OG-CG 3.23Å
490	E	96.9	Very high	94.1	Very high	57 Å²	57	39.3 Å²	39.3	27%	0.266	23%	0.233	S	C	.	.	S	Bend	trans	-141.6	135.4	167.3	-174.4	68.8	173.2	0	0	108.2	A508 L554	E490-A508 HydrophobicContact CB-CB 3.87Å; E490-A508 PolarHBondContact O-N 3Å; E490-L554 HydrophobicContact CB-CG 4.49Å; E490-L554 HydrophobicContact CG-CB 3.91Å; E490-L554 HydrophobicContact CG-CD1 3.97Å; E490-L554 HydrophobicContact CG-CG 3.68Å; E490-L554 PolarHBondContact OE1-N 3.04Å
491	I	97.6	Very high	94.2	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.1	-176.1	-54.8	177.5	0	0	0	109	T435 T437 V449 V461 L505 L506	T435-I491 VanDerWaalsContact OG1-CD1 3.26Å; T435-I491 WeakPolarHBondContact OG1-CD1 3.28Å; T437-I491 HydrophobicContact CG2-CB 4.18Å; T437-I491 HydrophobicContact CG2-CG2 3.75Å; V449-I491 HydrophobicContact CG1-CD1 4.03Å; V449-I491 HydrophobicContact CG1-CG2 4.08Å; V461-I491 HydrophobicContact CB-CD1 4.34Å; V461-I491 HydrophobicContact CG1-CD1 3.75Å; V461-I491 HydrophobicContact CG2-CD1 3.64Å; V461-I491 HydrophobicContact CG2-CG1 4.39Å; I491-L505 HydrophobicContact CG2-CD1 3.55Å; I491-L505 HydrophobicContact CG2-CG 4.24Å; I491-L506 WeakPolarHBondContact CA-O 3.38Å; I491-L506 WeakPolarHBondContact CG2-O 3.36Å
492	A	97	Very high	94.4	Very high	5 Å²	5	34.9 Å²	34.9	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.4	-179.5	0	0	0	0	0	111.5	L506 L554 P556	A492-L506 HydrophobicContact CB-CB 4.39Å; A492-L506 PolarHBondContact N-O 3.17Å; A492-L506 WeakPolarHBondContact O-CB 3.49Å; A492-L506 PolarHBondContact O-N 3.11Å; A492-L554 HydrophobicContact CB-CB 3.67Å; A492-L554 HydrophobicContact CB-CD1 3.97Å; A492-L554 HydrophobicContact CB-CG 4.49Å; A492-P556 HydrophobicContact CB-CG 3.8Å
493	P	96.2	Very high	94.4	Very high	34 Å²	34	33.5 Å²	33.5	22%	0.221	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	135.9	165.9	32.6	-32.9	0	0	0	109.4	T437 S438 V439 T502 P556	T437-P493 WeakPolarHBondContact OG1-CD 3.13Å; S438-P493 WeakPolarHBondContact O-CG 3.13Å; V439-P493 HydrophobicContact CG2-CB 4.42Å; P493-T502 HydrophobicContact CB-CG2 3.6Å; P493-P556 WeakPolarHBondContact O-CG 3.39Å
494	V	95.9	Very high	94.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.3	177.4	-171.6	0	0	0	0	108.4	I496 D503 N504 L506 P556	V494-I496 HydrophobicContact CG1-CG1 3.71Å; V494-D503 PolarHBondContact O-N 2.89Å; V494-N504 HydrophobicContact CB-CB 4.4Å; V494-N504 PolarHBondContact N-O 2.73Å; V494-N504 PolarHBondContact O-N 3.12Å; V494-L506 HydrophobicContact CG2-CD1 3.56Å; V494-L506 HydrophobicContact CG2-CG 3.84Å; V494-P556 HydrophobicContact CG2-CB 4.18Å; V494-P556 HydrophobicContact CG2-CG 4.01Å
495	D	95.6	Very high	94.9	Very high	34 Å²	34	25.6 Å²	25.6	18%	0.182	16%	0.156	C	C	.	.			trans	-96.7	108.2	164.7	170.1	-0.3	0	0	0	105.4	G498 D499 G500 I501 N566	D495-G498 VanDerWaalsContact OD1-CA 3.23Å; D495-G498 WeakPolarHBondContact OD1-CA 3.48Å; D495-G498 PolarHBondContact OD1-N 2.92Å; D495-G498 WeakPolarHBondContact OD2-CA 3.46Å; D495-D499 PolarHBondContact OD1-N 3.2Å; D495-D499 PolarHBondContact OD2-N 2.71Å; D495-G500 WeakPolarHBondContact OD2-CA 3.31Å; D495-G500 PolarHBondContact OD2-N 2.87Å; D495-I501 WeakPolarHBondContact CA-O 3.39Å; D495-I501 WeakPolarHBondContact CB-O 3.31Å; D495-N566 VanDerWaalsContact O-CB 3.29Å; D495-N566 WeakPolarHBondContact O-CB 3.19Å; D495-N566 PolarHBondContact O-ND2 2.9Å
496	I	95.4	Very high	95	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-85.1	-39.3	-170.7	-66.5	179	0	0	0	110.6	V494 D503 N504 F565 N566 N590 I592	V494-I496 HydrophobicContact CG1-CG1 3.71Å; I496-D503 HydrophobicContact CB-CB 4.43Å; I496-D503 HydrophobicContact CD1-CB 4.43Å; I496-D503 HydrophobicContact CG1-CB 4.28Å; I496-D503 PolarHBondContact N-OD2 3.28Å; I496-N504 WeakPolarHBondContact CD1-OD1 3.27Å; I496-F565 HydrophobicContact CG2-CB 4.06Å; I496-F565 HydrophobicContact CG2-CD1 3.9Å; I496-F565 HydrophobicContact CG2-CG 4.34Å; I496-F565 CarbonylContact O-C 3.58Å; I496-F565 WeakPolarHBondContact O-CA 3.24Å; I496-N566 PolarHBondContact O-N 2.93Å; I496-N590 WeakPolarHBondContact CB-OD1 3.36Å; I496-I592 HydrophobicContact CD1-CD1 4.43Å; I496-I592 HydrophobicContact CD1-CG1 3.88Å
497	D	93.5	Very high	95.2	Very high	60 Å²	60	23.1 Å²	23.1	32%	0.321	15%	0.146	S	C	.	.	S	Bend	trans	-94	-2.4	-177.8	59	23.2	0	0	0	114.2	D499 D503 F565 N590	D497-D499 VanDerWaalsContact C-N 3.34Å; D497-D499 WeakPolarHBondContact OD1-CB 3.39Å; D497-D499 VanDerWaalsContact OD1-CG 3.26Å; D497-D499 PolarHBondContact OD1-N 3.45Å; D497-D503 PolarHBondContact N-OD2 3.08Å; D497-F565 HydrophobicContact CB-CD1 4.29Å; D497-F565 HydrophobicContact CB-CE1 4.28Å; D497-N590 PolarHBondContact OD2-ND2 3.01Å
498	G	92.4	Very high	95.3	Very high	46 Å²	46	23.1 Å²	23.1	47%	0.474	15%	0.146	S	C	.	.	S	Bend	trans	76.3	20.6	172.9	0	0	0	0	0	113.6	D495 G500	D495-G498 VanDerWaalsContact OD1-CA 3.23Å; D495-G498 WeakPolarHBondContact OD1-CA 3.48Å; D495-G498 PolarHBondContact OD1-N 2.92Å; D495-G498 WeakPolarHBondContact OD2-CA 3.46Å; G498-G500 VanDerWaalsContact C-N 3.27Å; G498-G500 PolarHBondContact O-N 2.82Å
499	D	91.5	Very high	95.4	Very high	94 Å²	94	23.1 Å²	23.1	50%	0.503	15%	0.146	S	C	.	.	S	Bend	trans	-80.8	-5.3	-178.7	80.9	-7.1	0	0	0	113.7	D495 D497 I501	D495-D499 PolarHBondContact OD1-N 3.2Å; D495-D499 PolarHBondContact OD2-N 2.71Å; D497-D499 VanDerWaalsContact C-N 3.34Å; D497-D499 WeakPolarHBondContact OD1-CB 3.39Å; D497-D499 VanDerWaalsContact OD1-CG 3.26Å; D497-D499 PolarHBondContact OD1-N 3.45Å; D499-I501 WeakPolarHBondContact OD1-CA 3.32Å; D499-I501 WeakPolarHBondContact OD1-CB 3.26Å; D499-I501 PolarHBondContact OD1-N 2.9Å
500	G	90.5	Very high	95.4	Very high	44 Å²	44	23 Å²	23	45%	0.454	15%	0.145	S	C	.	.	S	Bend	trans	90.1	0.3	-177.8	0	0	0	0	0	114.3	V440 D495 G498	V440-G500 WeakPolarHBondContact CG1-O 3.43Å; D495-G500 WeakPolarHBondContact OD2-CA 3.31Å; D495-G500 PolarHBondContact OD2-N 2.87Å; G498-G500 VanDerWaalsContact C-N 3.27Å; G498-G500 PolarHBondContact O-N 2.82Å
501	I	92.6	Very high	95.3	Very high	56 Å²	56	23.2 Å²	23.2	29%	0.287	15%	0.147	S	C	.	.	S	Bend	trans	-103.7	143.4	176	-60.7	162	0	0	0	108.6	D495 D499 D503	D495-I501 WeakPolarHBondContact CA-O 3.39Å; D495-I501 WeakPolarHBondContact CB-O 3.31Å; D499-I501 WeakPolarHBondContact OD1-CA 3.32Å; D499-I501 WeakPolarHBondContact OD1-CB 3.26Å; D499-I501 PolarHBondContact OD1-N 2.9Å; I501-D503 PolarHBondContact O-N 2.94Å
502	T	94.6	Very high	95.2	Very high	10 Å²	10	23.9 Å²	23.9	6%	0.061	15%	0.149	C	C	.	.			trans	-81.9	112.4	178.8	-55.2	0	0	0	0	110.6	V439 V440 P493 N504 V527	V439-T502 HydrophobicContact CG1-CG2 3.93Å; V439-T502 HydrophobicContact CG2-CG2 4.35Å; V440-T502 PolarHBondContact N-OG1 3.23Å; V440-T502 WeakPolarHBondContact O-CB 3.44Å; V440-T502 PolarHBondContact O-N 3.07Å; V440-T502 PolarHBondContact O-OG1 2.85Å; P493-T502 HydrophobicContact CB-CG2 3.6Å; T502-N504 VanDerWaalsContact CG2-O 3.31Å; T502-N504 WeakPolarHBondContact CG2-O 3.07Å; T502-V527 HydrophobicContact CG2-CG2 4.38Å; T502-V527 WeakPolarHBondContact O-CB 3.49Å
503	D	93.9	Very high	94.9	Very high	20 Å²	20	28.8 Å²	28.8	11%	0.107	17%	0.17	C	C	.	.			trans	-74.7	-43	174	-67.6	-64.7	0	0	0	113.2	V494 I496 D497 I501 V527 N590	V494-D503 PolarHBondContact O-N 2.89Å; I496-D503 HydrophobicContact CB-CB 4.43Å; I496-D503 HydrophobicContact CD1-CB 4.43Å; I496-D503 HydrophobicContact CG1-CB 4.28Å; I496-D503 PolarHBondContact N-OD2 3.28Å; D497-D503 PolarHBondContact N-OD2 3.08Å; I501-D503 PolarHBondContact O-N 2.94Å; D503-V527 PolarHBondContact O-N 3.43Å; D503-N590 PolarHBondContact OD1-ND2 2.87Å; D503-N590 PolarHBondContact OD1-OD1 2.82Å; D503-N590 PolarHBondContact OD2-OD1 2.85Å
504	N	95.3	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.4	-173.1	-77.2	114.6	0	0	0	111.9	V494 I496 T502 I524 Y525 R526 E536	V494-N504 HydrophobicContact CB-CB 4.4Å; V494-N504 PolarHBondContact N-O 2.73Å; V494-N504 PolarHBondContact O-N 3.12Å; I496-N504 WeakPolarHBondContact CD1-OD1 3.27Å; T502-N504 VanDerWaalsContact CG2-O 3.31Å; T502-N504 WeakPolarHBondContact CG2-O 3.07Å; N504-I524 HydrophobicContact CB-CG2 4.34Å; N504-I524 VanDerWaalsContact ND2-CG2 3.33Å; N504-I524 WeakPolarHBondContact ND2-CG2 3.42Å; N504-Y525 CarbonylContact C-O 3.56Å; N504-Y525 VanDerWaalsContact CA-O 3.27Å; N504-Y525 WeakPolarHBondContact CA-O 3.42Å; N504-Y525 PolarHBondContact ND2-O 3.41Å; N504-R526 WeakPolarHBondContact ND2-CA 3.4Å; N504-E536 PolarHBondContact ND2-OE2 3.45Å
505	L	97.3	Very high	94	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.3	167.3	-177.3	69	0	0	0	108.8	V439 V449 L478 I491 V507 Y525 V527 F533	V439-L505 HydrophobicContact CG2-CD1 3.82Å; V449-L505 HydrophobicContact CG1-CD2 4.4Å; L478-L505 HydrophobicContact CD1-CD2 4.18Å; I491-L505 HydrophobicContact CG2-CD1 3.55Å; I491-L505 HydrophobicContact CG2-CG 4.24Å; L505-V507 HydrophobicContact CD2-CG2 4.46Å; L505-V507 HydrophobicContact CG-CG2 4.36Å; L505-Y525 PolarHBondContact N-O 2.69Å; L505-Y525 PolarHBondContact O-N 3.21Å; L505-V527 HydrophobicContact CB-CG2 4.4Å; L505-F533 HydrophobicContact CB-CD1 4.11Å; L505-F533 HydrophobicContact CB-CE1 4.13Å; L505-F533 HydrophobicContact CD2-CD1 3.81Å; L505-F533 HydrophobicContact CD2-CE1 3.72Å
506	L	98.2	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134	175.5	-56.5	-179	0	0	0	110.4	I491 A492 V494 V522 Y523 I524 L554 L568 I592	I491-L506 WeakPolarHBondContact CA-O 3.38Å; I491-L506 WeakPolarHBondContact CG2-O 3.36Å; A492-L506 HydrophobicContact CB-CB 4.39Å; A492-L506 PolarHBondContact N-O 3.17Å; A492-L506 WeakPolarHBondContact O-CB 3.49Å; A492-L506 PolarHBondContact O-N 3.11Å; V494-L506 HydrophobicContact CG2-CD1 3.56Å; V494-L506 HydrophobicContact CG2-CG 3.84Å; L506-V522 HydrophobicContact CB-CG1 4.13Å; L506-Y523 WeakPolarHBondContact CA-O 3.14Å; L506-I524 HydrophobicContact CD2-CB 4.11Å; L506-I524 HydrophobicContact CD2-CD1 4.08Å; L506-I524 HydrophobicContact CD2-CG1 3.69Å; L506-I524 HydrophobicContact CD2-CG2 3.99Å; L506-L554 HydrophobicContact CB-CD1 3.94Å; L506-L568 HydrophobicContact CD1-CD1 3.47Å; L506-L568 VanDerWaalsContact CD1-CD1 3.47Å; L506-L568 HydrophobicContact CD1-CD2 3.4Å; L506-L568 HydrophobicContact CD1-CG 4.03Å; L506-I592 HydrophobicContact CD1-CD1 4.31Å; L506-I592 HydrophobicContact CD2-CD1 3.89Å
507	V	98.4	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	115.4	177.8	-174.7	0	0	0	0	109.6	V461 L478 Y487 L505 Y523 Y525	V461-V507 HydrophobicContact CG2-CG1 3.6Å; V461-V507 HydrophobicContact CG2-CG2 4.22Å; L478-V507 HydrophobicContact CD1-CG2 4.44Å; Y487-V507 HydrophobicContact CD1-CG1 4.13Å; Y487-V507 HydrophobicContact CD2-CG1 3.95Å; Y487-V507 HydrophobicContact CE1-CG1 3.74Å; Y487-V507 HydrophobicContact CE2-CB 4Å; Y487-V507 HydrophobicContact CE2-CG1 3.55Å; Y487-V507 HydrophobicContact CG-CG1 4.22Å; Y487-V507 VanDerWaalsContact CZ-CG1 3.43Å; L505-V507 HydrophobicContact CD2-CG2 4.46Å; L505-V507 HydrophobicContact CG-CG2 4.36Å; V507-Y523 PolarHBondContact N-O 3.41Å; V507-Y523 PolarHBondContact O-N 2.89Å; V507-Y525 HydrophobicContact CB-CE2 4.19Å; V507-Y525 HydrophobicContact CG2-CD2 3.98Å; V507-Y525 HydrophobicContact CG2-CE2 3.93Å
508	A	97.9	Very high	92.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	148.3	-179.1	0	0	0	0	0	112.9	Y487 G488 E490 P510 V522 G551 L554	Y487-A508 CarbonylContact C-O 3.54Å; Y487-A508 WeakPolarHBondContact CA-O 3.42Å; G488-A508 PolarHBondContact N-O 3.07Å; E490-A508 HydrophobicContact CB-CB 3.87Å; E490-A508 PolarHBondContact O-N 3Å; A508-P510 HydrophobicContact CB-CG 4.27Å; A508-V522 HydrophobicContact CB-CG2 4.3Å; A508-G551 WeakPolarHBondContact CB-O 3.36Å; A508-L554 HydrophobicContact CB-CD1 4.21Å
509	A	97.2	Very high	92.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	77.3	166.7	0	0	0	0	0	108.1	S485 Y487 M511 F512 G520 K521 Y523	S485-A509 CarbonylContact O-C 3.53Å; S485-A509 VanDerWaalsContact O-CA 3.27Å; S485-A509 WeakPolarHBondContact O-CA 3.03Å; S485-A509 WeakPolarHBondContact O-CB 3.4Å; Y487-A509 HydrophobicContact CD2-CB 4.35Å; A509-M511 PolarHBondContact O-N 2.83Å; A509-F512 HydrophobicContact CB-CB 4.23Å; A509-F512 WeakPolarHBondContact O-CB 2.91Å; A509-F512 PolarHBondContact O-N 3.34Å; A509-F512 VanDerWaalsContact O-N 3.08Å; A509-G520 WeakPolarHBondContact O-CA 3.37Å; A509-K521 PolarHBondContact N-O 3.25Å; A509-K521 PolarHBondContact O-N 2.95Å; A509-Y523 HydrophobicContact CB-CE2 3.93Å
510	P	95.8	Very high	92.7	Very high	8 Å²	8	31 Å²	31	5%	0.052	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.9	-171.5	-21.4	33.2	0	0	0	113.2	S489 A508 F512 G520 R549	S489-P510 WeakPolarHBondContact OG-CD 3.3Å; S489-P510 WeakPolarHBondContact OG-CG 3.23Å; A508-P510 HydrophobicContact CB-CG 4.27Å; P510-F512 VanDerWaalsContact C-N 3.27Å; P510-F512 PolarHBondContact O-N 2.98Å; P510-G520 WeakPolarHBondContact O-CA 3.49Å; P510-G520 PolarHBondContact O-N 2.73Å; P510-R549 HydrophobicContact CB-CB 4.25Å; P510-R549 VanDerWaalsContact O-CA 3.31Å; P510-R549 WeakPolarHBondContact O-CA 3.06Å
511	M	94.8	Very high	92.9	Very high	62 Å²	62	30.5 Å²	30.5	31%	0.305	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	14.3	179.9	-53.6	-172.3	177.7	0	0	112.7	G484 S485 Y486 A509 F513 E518	G484-M511 VanDerWaalsContact O-CB 3.24Å; G484-M511 WeakPolarHBondContact O-CB 3.47Å; S485-M511 PolarHBondContact O-N 2.78Å; Y486-M511 HydrophobicContact CD1-CE 4.3Å; Y486-M511 HydrophobicContact CD2-SD 4.38Å; Y486-M511 HydrophobicContact CG-CE 4.39Å; Y486-M511 HydrophobicContact CG-SD 4.12Å; A509-M511 PolarHBondContact O-N 2.83Å; M511-F513 PolarHBondContact O-N 2.94Å; M511-E518 VanDerWaalsContact CA-OE1 3.32Å; M511-E518 WeakPolarHBondContact CA-OE1 3.35Å; M511-E518 HydrophobicContact CB-CG 4.42Å; M511-E518 WeakPolarHBondContact CB-OE1 3.37Å; M511-E518 VanDerWaalsContact CG-OE1 3.26Å; M511-E518 WeakPolarHBondContact CG-OE1 3.34Å
512	F	94.9	Very high	93.1	Very high	27 Å²	27	27.8 Å²	27.8	12%	0.118	17%	0.165	C	C	.	.			trans	-61.7	125.5	178.2	-175.7	-93.2	0	0	0	111.2	Q482 A509 P510 K519 G520 K521	Q482-F512 HydrophobicContact CB-CD2 4.08Å; Q482-F512 HydrophobicContact CB-CE2 3.95Å; Q482-F512 HydrophobicContact CG-CE2 4.45Å; A509-F512 HydrophobicContact CB-CB 4.23Å; A509-F512 WeakPolarHBondContact O-CB 2.91Å; A509-F512 PolarHBondContact O-N 3.34Å; A509-F512 VanDerWaalsContact O-N 3.08Å; P510-F512 VanDerWaalsContact C-N 3.27Å; P510-F512 PolarHBondContact O-N 2.98Å; F512-K519 PolarHBondContact O-N 2.88Å; F512-G520 PolarHBondContact O-N 3.34Å; F512-K521 HydrophobicContact CB-CB 3.76Å; F512-K521 HydrophobicContact CD1-CB 3.82Å; F512-K521 HydrophobicContact CD1-CD 3.98Å; F512-K521 HydrophobicContact CD2-CB 4.38Å; F512-K521 HydrophobicContact CD2-CD 4.2Å; F512-K521 HydrophobicContact CE1-CD 3.86Å; F512-K521 HydrophobicContact CE2-CD 4.1Å; F512-K521 HydrophobicContact CG-CB 3.73Å; F512-K521 HydrophobicContact CG-CD 4.15Å; F512-K521 HydrophobicContact CZ-CD 3.94Å
513	F	92.1	Very high	93.3	Very high	108 Å²	108	28.7 Å²	28.7	47%	0.474	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.6	-175.9	-168.7	-96.8	0	0	0	111.1	Q482 M511 G516 M517	Q482-F513 PolarHBondContact NE2-O 2.9Å; M511-F513 PolarHBondContact O-N 2.94Å; F513-G516 WeakPolarHBondContact CE2-O 3.47Å; F513-G516 VanDerWaalsContact CZ-O 3.24Å; F513-G516 WeakPolarHBondContact CZ-O 3.15Å; F513-M517 WeakPolarHBondContact CA-O 3.25Å; F513-M517 VanDerWaalsContact CD2-C 3.41Å; F513-M517 WeakPolarHBondContact CD2-O 3.47Å
514	S	88.4	Confident	93.5	Very high	47 Å²	47	27.8 Å²	27.8	33%	0.329	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141	178.4	-177.8	0	0	0	0	110.8	G516 M517	S514-G516 PolarHBondContact O-N 2.97Å; S514-M517 PolarHBondContact N-O 2.76Å; S514-M517 PolarHBondContact O-N 3.18Å; S514-M517 VanDerWaalsContact O-N 3.12Å; S514-M517 VanDerWaalsContact O-O 3.11Å
515	A	84.4	Confident	93.5	Very high	82 Å²	82	28.7 Å²	28.7	68%	0.678	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	38.8	-179.1	0	0	0	0	0	113.8
516	G	82.4	Confident	93.3	Very high	55 Å²	55	33 Å²	33	57%	0.567	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	5.6	177.7	0	0	0	0	0	115.6	F513 S514	F513-G516 WeakPolarHBondContact CE2-O 3.47Å; F513-G516 VanDerWaalsContact CZ-O 3.24Å; F513-G516 WeakPolarHBondContact CZ-O 3.15Å; S514-G516 PolarHBondContact O-N 2.97Å
517	M	85.6	Confident	93	Very high	51 Å²	51	33.8 Å²	33.8	25%	0.251	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.2	-175.1	-63.7	176.4	-76.3	0	0	112.8	F513 S514 K519 Q546	F513-M517 WeakPolarHBondContact CA-O 3.25Å; F513-M517 VanDerWaalsContact CD2-C 3.41Å; F513-M517 WeakPolarHBondContact CD2-O 3.47Å; S514-M517 PolarHBondContact N-O 2.76Å; S514-M517 PolarHBondContact O-N 3.18Å; S514-M517 VanDerWaalsContact O-N 3.12Å; S514-M517 VanDerWaalsContact O-O 3.11Å; M517-K519 HydrophobicContact CB-CG 4.42Å; M517-K519 PolarHBondContact O-N 2.86Å; M517-Q546 HydrophobicContact SD-CB 4.01Å; M517-Q546 HydrophobicContact SD-CG 3.58Å; M517-Q546 VanDerWaalsContact SD-CG 3.58Å
518	E	88.5	Confident	92.5	Very high	37 Å²	37	35.7 Å²	35.7	17%	0.173	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	82.4	175.2	-171.3	-173.3	169	0	0	110.3	M511 N547 A548 R549	M511-E518 VanDerWaalsContact CA-OE1 3.32Å; M511-E518 WeakPolarHBondContact CA-OE1 3.35Å; M511-E518 HydrophobicContact CB-CG 4.42Å; M511-E518 WeakPolarHBondContact CB-OE1 3.37Å; M511-E518 VanDerWaalsContact CG-OE1 3.26Å; M511-E518 WeakPolarHBondContact CG-OE1 3.34Å; E518-N547 PolarHBondContact N-OD1 2.63Å; E518-N547 VanDerWaalsContact N-OD1 3.16Å; E518-N547 CarbonylContact O-C 3.5Å; E518-N547 VanDerWaalsContact O-C 3.23Å; E518-N547 WeakPolarHBondContact O-CA 2.87Å; E518-N547 PolarHBondContact O-N 3.18Å; E518-A548 PolarHBondContact O-N 3.22Å; E518-R549 HydrophobicContact CG-CG 4.46Å; E518-R549 WeakPolarHBondContact OE1-CD 3.42Å; E518-R549 VanDerWaalsContact OE1-CG 3.24Å; E518-R549 WeakPolarHBondContact OE1-CG 3.38Å; E518-R549 IonicContact OE1-CZ 3.33Å; E518-R549 IonicContact OE1-NE 3.96Å; E518-R549 PolarHBondContact OE1-NE 2.74Å; E518-R549 IonicContact OE1-NH2 3.85Å; E518-R549 IonicContact OE2-NE 3.73Å; E518-R549 IonicContact OE2-NH2 2.74Å
519	K	89.6	Confident	91.6	Very high	41 Å²	41	42.1 Å²	42.1	18%	0.178	23%	0.229	C	C	.	.			trans	-79.9	-35.7	-175.8	-67.9	-164.5	170.2	-170.4	0	113.1	F512 M517 F550	F512-K519 PolarHBondContact O-N 2.88Å; M517-K519 HydrophobicContact CB-CG 4.42Å; M517-K519 PolarHBondContact O-N 2.86Å; K519-F550 WeakPolarHBondContact O-CB 3.36Å; K519-F550 PolarHBondContact O-N 2.94Å; K519-F550 VanDerWaalsContact O-N 3.13Å
520	G	93.6	Very high	90.7	Very high	2 Å²	2	46 Å²	46	2%	0.021	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	79.4	156.2	-167.7	0	0	0	0	0	112.8	A509 P510 F512 F550	A509-G520 WeakPolarHBondContact O-CA 3.37Å; P510-G520 WeakPolarHBondContact O-CA 3.49Å; P510-G520 PolarHBondContact O-N 2.73Å; F512-G520 PolarHBondContact O-N 3.34Å; G520-F550 CarbonylContact C-O 3.58Å; G520-F550 WeakPolarHBondContact CA-O 3.33Å
521	K	95.1	Very high	90	Very high	34 Å²	34	46 Å²	46	15%	0.148	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	142.6	-174.8	-177.9	165.9	179.5	157	0	110.7	A509 F512 Y523 A538 E540 F550	A509-K521 PolarHBondContact N-O 3.25Å; A509-K521 PolarHBondContact O-N 2.95Å; F512-K521 HydrophobicContact CB-CB 3.76Å; F512-K521 HydrophobicContact CD1-CB 3.82Å; F512-K521 HydrophobicContact CD1-CD 3.98Å; F512-K521 HydrophobicContact CD2-CB 4.38Å; F512-K521 HydrophobicContact CD2-CD 4.2Å; F512-K521 HydrophobicContact CE1-CD 3.86Å; F512-K521 HydrophobicContact CE2-CD 4.1Å; F512-K521 HydrophobicContact CG-CB 3.73Å; F512-K521 HydrophobicContact CG-CD 4.15Å; F512-K521 HydrophobicContact CZ-CD 3.94Å; K521-Y523 HydrophobicContact CB-CE2 4.44Å; K521-Y523 HydrophobicContact CD-CE1 4.28Å; K521-Y523 HydrophobicContact CD-CE2 4.06Å; K521-Y523 HydrophobicContact CG-CD2 4.36Å; K521-Y523 HydrophobicContact CG-CE2 3.97Å; K521-A538 HydrophobicContact CD-CB 4.3Å; K521-A538 HydrophobicContact CG-CB 4.03Å; K521-E540 HydrophobicContact CD-CG 4.25Å; K521-E540 WeakPolarHBondContact CD-OE1 3.15Å; K521-E540 WeakPolarHBondContact CE-OE1 3.23Å; K521-E540 HydrophobicContact CG-CG 4.07Å; K521-E540 IonicContact NZ-OE1 2.69Å; K521-E540 PolarHBondContact NZ-OE1 3.44Å; K521-F550 PolarHBondContact N-O 3.01Å
522	V	97.9	Very high	89.7	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.2	175.1	-177.5	0	0	0	0	109.5	L506 A508 A538 L539 F550 L554 V570	L506-V522 HydrophobicContact CB-CG1 4.13Å; A508-V522 HydrophobicContact CB-CG2 4.3Å; V522-A538 CarbonylContact O-C 3.56Å; V522-A538 WeakPolarHBondContact O-CA 3.43Å; V522-A538 WeakPolarHBondContact O-CB 3.46Å; V522-L539 HydrophobicContact CB-CB 4.27Å; V522-L539 PolarHBondContact N-O 3.15Å; V522-L539 VanDerWaalsContact N-O 3.14Å; V522-L539 PolarHBondContact O-N 3.13Å; V522-F550 HydrophobicContact CB-CE1 4.27Å; V522-F550 HydrophobicContact CG2-CD1 4.02Å; V522-F550 HydrophobicContact CG2-CE1 3.67Å; V522-F550 HydrophobicContact CG2-CZ 4.45Å; V522-L554 HydrophobicContact CG1-CD1 4.21Å; V522-L554 HydrophobicContact CG1-CD2 4.06Å; V522-L554 HydrophobicContact CG2-CD2 3.94Å; V522-V570 HydrophobicContact CG2-CG1 4.16Å
523	Y	97.8	Very high	89.5	Confident	28 Å²	28	50.7 Å²	50.7	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.1	179.5	-65.1	-97.3	0	0	0	110.5	Y487 L506 V507 A509 K521	Y487-Y523 AromaticContact CD2-CD2 3.63Å; Y487-Y523 HydrophobicContact CD2-CD2 3.63Å; Y487-Y523 AromaticContact CD2-CE2 3.67Å; Y487-Y523 HydrophobicContact CD2-CE2 3.67Å; Y487-Y523 HydrophobicContact CD2-CG 4.41Å; Y487-Y523 AromaticContact CE2-CD2 3.54Å; Y487-Y523 HydrophobicContact CE2-CD2 3.54Å; Y487-Y523 AromaticContact CE2-CE2 3.95Å; Y487-Y523 HydrophobicContact CE2-CE2 3.95Å; Y487-Y523 AromaticContact CE2-CG 3.87Å; Y487-Y523 HydrophobicContact CE2-CG 3.87Å; L506-Y523 WeakPolarHBondContact CA-O 3.14Å; V507-Y523 PolarHBondContact N-O 3.41Å; V507-Y523 PolarHBondContact O-N 2.89Å; A509-Y523 HydrophobicContact CB-CE2 3.93Å; K521-Y523 HydrophobicContact CB-CE2 4.44Å; K521-Y523 HydrophobicContact CD-CE1 4.28Å; K521-Y523 HydrophobicContact CD-CE2 4.06Å; K521-Y523 HydrophobicContact CG-CD2 4.36Å; K521-Y523 HydrophobicContact CG-CE2 3.97Å
524	I	97.4	Very high	89.5	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.4	177.7	-49.4	-160.6	0	0	0	109.2	N504 L506 E536 G537 L539 I592 R594	N504-I524 HydrophobicContact CB-CG2 4.34Å; N504-I524 VanDerWaalsContact ND2-CG2 3.33Å; N504-I524 WeakPolarHBondContact ND2-CG2 3.42Å; L506-I524 HydrophobicContact CD2-CB 4.11Å; L506-I524 HydrophobicContact CD2-CD1 4.08Å; L506-I524 HydrophobicContact CD2-CG1 3.69Å; L506-I524 HydrophobicContact CD2-CG2 3.99Å; I524-E536 HydrophobicContact CG2-CB 4.28Å; I524-E536 PolarHBondContact O-N 2.9Å; I524-G537 PolarHBondContact N-O 3.32Å; I524-L539 HydrophobicContact CD1-CD1 4.38Å; I524-L539 HydrophobicContact CD1-CD2 3.96Å; I524-L539 HydrophobicContact CD1-CG 3.95Å; I524-L539 HydrophobicContact CG1-CG 4.4Å; I524-I592 HydrophobicContact CD1-CB 4.08Å; I524-I592 HydrophobicContact CD1-CD1 4.12Å; I524-I592 HydrophobicContact CD1-CG2 4.36Å; I524-R594 VanDerWaalsContact CG1-NH1 3.35Å
525	Y	96.4	Very high	89.8	Confident	18 Å²	18	51.3 Å²	51.3	7%	0.071	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.9	170.7	-63.3	-90.5	0	0	0	109.2	L478 Y487 N504 L505 V507 F533 V534 P535	L478-Y525 HydrophobicContact CD1-CD1 4.14Å; L478-Y525 HydrophobicContact CD1-CD2 3.98Å; L478-Y525 HydrophobicContact CD1-CE1 4.2Å; L478-Y525 HydrophobicContact CD1-CE2 4.04Å; L478-Y525 HydrophobicContact CD1-CG 4.04Å; L478-Y525 HydrophobicContact CD2-CD1 4.27Å; L478-Y525 HydrophobicContact CD2-CE1 4.12Å; Y487-Y525 VanDerWaalsContact OH-CE2 3.27Å; Y487-Y525 WeakPolarHBondContact OH-CE2 3.31Å; Y487-Y525 VanDerWaalsContact OH-CZ 3.26Å; Y487-Y525 PolarHBondContact OH-OH 3.21Å; N504-Y525 CarbonylContact C-O 3.56Å; N504-Y525 VanDerWaalsContact CA-O 3.27Å; N504-Y525 WeakPolarHBondContact CA-O 3.42Å; N504-Y525 PolarHBondContact ND2-O 3.41Å; L505-Y525 PolarHBondContact N-O 2.69Å; L505-Y525 PolarHBondContact O-N 3.21Å; V507-Y525 HydrophobicContact CB-CE2 4.19Å; V507-Y525 HydrophobicContact CG2-CD2 3.98Å; V507-Y525 HydrophobicContact CG2-CE2 3.93Å; Y525-F533 HydrophobicContact CD1-CB 4.48Å; Y525-V534 CarbonylContact C-O 3.58Å; Y525-V534 WeakPolarHBondContact CA-O 3.32Å; Y525-P535 HydrophobicContact CD1-CB 4.39Å; Y525-P535 HydrophobicContact CE1-CB 4.21Å
526	R	93.4	Very high	90.1	Very high	90 Å²	90	49.8 Å²	49.8	34%	0.34	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.4	169.6	-171.5	176.2	178.5	111.7	4.3	109.5	N504 F533 V534 E536	N504-R526 WeakPolarHBondContact ND2-CA 3.4Å; R526-F533 CarbonylContact O-C 3.6Å; R526-F533 WeakPolarHBondContact O-CA 3.09Å; R526-V534 PolarHBondContact N-O 3.43Å; R526-V534 PolarHBondContact O-N 3.4Å; R526-E536 HydrophobicContact CB-CB 4.42Å; R526-E536 IonicContact NH1-OE1 2.9Å
527	V	92	Very high	90.6	Very high	17 Å²	17	48.8 Å²	48.8	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.5	174.4	-171.2	0	0	0	0	107.6	V439 T502 D503 L505 F533	V439-V527 HydrophobicContact CG1-CG1 4.29Å; V439-V527 HydrophobicContact CG1-CG2 4.34Å; T502-V527 HydrophobicContact CG2-CG2 4.38Å; T502-V527 WeakPolarHBondContact O-CB 3.49Å; D503-V527 PolarHBondContact O-N 3.43Å; L505-V527 HydrophobicContact CB-CG2 4.4Å; V527-F533 HydrophobicContact CG1-CE1 4.44Å; V527-F533 HydrophobicContact CG2-CD1 4.03Å; V527-F533 HydrophobicContact CG2-CE1 3.8Å
528	T	86.5	Confident	91	Very high	40 Å²	40	47.5 Å²	47.5	25%	0.245	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-86.1	160.7	176.1	67.8	0	0	0	0	110.8	T530 N531 R532 V534	T528-T530 PolarHBondContact O-N 3.13Å; T528-T530 PolarHBondContact OG1-N 3.02Å; T528-T530 PolarHBondContact OG1-OG1 3.29Å; T528-N531 WeakPolarHBondContact O-CA 3.26Å; T528-N531 PolarHBondContact O-N 3.18Å; T528-R532 HydrophobicContact CG2-CB 4.36Å; T528-R532 PolarHBondContact N-O 3.09Å; T528-R532 WeakPolarHBondContact OG1-CB 3.44Å; T528-R532 PolarHBondContact OG1-N 2.75Å; T528-R532 PolarHBondContact OG1-O 3.2Å; T528-V534 HydrophobicContact CG2-CG2 3.84Å
529	E	78.8	Confident	91.4	Very high	135 Å²	135	45.7 Å²	45.7	63%	0.631	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.5	171.7	-63.5	178.4	-167.5	0	0	113.7	R443 N531	R443-E529 VanDerWaalsContact CD-O 3.29Å; R443-E529 WeakPolarHBondContact CD-O 3.23Å; R443-E529 PolarHBondContact NE-O 2.8Å; E529-N531 VanDerWaalsContact C-N 3.28Å
530	T	79.4	Confident	91.4	Very high	83 Å²	83	47 Å²	47	51%	0.509	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	12.6	175.7	50.3	0	0	0	0	113.4	T528 R532	T528-T530 PolarHBondContact O-N 3.13Å; T528-T530 PolarHBondContact OG1-N 3.02Å; T528-T530 PolarHBondContact OG1-OG1 3.29Å; T530-R532 PolarHBondContact O-N 3.1Å
531	N	80.8	Confident	90.9	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.032	24%	0.243	C	C	.	.			trans	60.7	26.3	-178.3	-64.8	-32.5	0	0	0	115.3	S441 N444 L447 H476 T528 E529 F533	S441-N531 WeakPolarHBondContact CB-OD1 3.23Å; S441-N531 PolarHBondContact OG-ND2 3.11Å; S441-N531 PolarHBondContact OG-OD1 3.22Å; N444-N531 WeakPolarHBondContact CB-ND2 3.12Å; N444-N531 PolarHBondContact ND2-ND2 2.75Å; L447-N531 HydrophobicContact CD1-CB 4.36Å; H476-N531 PolarHBondContact CD2-O 2.85Å; H476-N531 PolarHBondContact NE2-O 3.09Å; T528-N531 WeakPolarHBondContact O-CA 3.26Å; T528-N531 PolarHBondContact O-N 3.18Å; E529-N531 VanDerWaalsContact C-N 3.28Å; N531-F533 WeakPolarHBondContact O-CE2 3.24Å
532	R	87.7	Confident	89.7	Confident	168 Å²	168	52.3 Å²	52.3	63%	0.634	27%	0.268	S	S	*	.			trans	-88.3	140.6	172.6	-53.9	-174.5	79.6	159.4	4.4	109	T528 T530 V534	T528-R532 HydrophobicContact CG2-CB 4.36Å; T528-R532 PolarHBondContact N-O 3.09Å; T528-R532 WeakPolarHBondContact OG1-CB 3.44Å; T528-R532 PolarHBondContact OG1-N 2.75Å; T528-R532 PolarHBondContact OG1-O 3.2Å; T530-R532 PolarHBondContact O-N 3.1Å; R532-V534 HydrophobicContact CB-CG2 4.47Å
533	F	91.8	Very high	88.2	Confident	20 Å²	20	58.3 Å²	58.3	9%	0.088	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	99.6	177.5	-64.9	-93.6	0	0	0	108.3	V439 I463 H476 L478 L505 Y525 R526 V527 N531	V439-F533 HydrophobicContact CG1-CE1 4.49Å; V439-F533 HydrophobicContact CG1-CZ 4.45Å; V439-F533 HydrophobicContact CG2-CE1 4.33Å; I463-F533 HydrophobicContact CB-CE2 4.29Å; I463-F533 HydrophobicContact CB-CZ 4.45Å; I463-F533 HydrophobicContact CD1-CD2 4.31Å; I463-F533 HydrophobicContact CD1-CE2 4.27Å; I463-F533 HydrophobicContact CD1-CZ 4.48Å; I463-F533 HydrophobicContact CG1-CE1 4.39Å; I463-F533 HydrophobicContact CG1-CE2 3.99Å; I463-F533 HydrophobicContact CG1-CZ 3.91Å; I463-F533 HydrophobicContact CG2-CE2 4Å; I463-F533 HydrophobicContact CG2-CZ 3.97Å; H476-F533 HydrophobicContact CB-CD2 4.24Å; H476-F533 AromaticContact CD2-CD2 3.88Å; H476-F533 AromaticContact CD2-CE2 3.75Å; L478-F533 HydrophobicContact CD1-CB 4.48Å; L478-F533 HydrophobicContact CD2-CB 4Å; L505-F533 HydrophobicContact CB-CD1 4.11Å; L505-F533 HydrophobicContact CB-CE1 4.13Å; L505-F533 HydrophobicContact CD2-CD1 3.81Å; L505-F533 HydrophobicContact CD2-CE1 3.72Å; Y525-F533 HydrophobicContact CD1-CB 4.48Å; R526-F533 CarbonylContact O-C 3.6Å; R526-F533 WeakPolarHBondContact O-CA 3.09Å; V527-F533 HydrophobicContact CG1-CE1 4.44Å; V527-F533 HydrophobicContact CG2-CD1 4.03Å; V527-F533 HydrophobicContact CG2-CE1 3.8Å; N531-F533 WeakPolarHBondContact O-CE2 3.24Å
534	V	92.4	Very high	86.5	Confident	69 Å²	69	60 Å²	60	42%	0.418	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.9	-174.2	-178.5	0	0	0	0	109.3	Y525 R526 T528 R532 E536	Y525-V534 CarbonylContact C-O 3.58Å; Y525-V534 WeakPolarHBondContact CA-O 3.32Å; R526-V534 PolarHBondContact N-O 3.43Å; R526-V534 PolarHBondContact O-N 3.4Å; T528-V534 HydrophobicContact CG2-CG2 3.84Å; R532-V534 HydrophobicContact CB-CG2 4.47Å; V534-E536 PolarHBondContact O-N 2.82Å
535	P	93.3	Very high	84.8	Confident	100 Å²	100	60.1 Å²	60.1	65%	0.649	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	123.5	177.6	26.5	-33.5	0	0	0	110.6	Y525	Y525-P535 HydrophobicContact CD1-CB 4.39Å; Y525-P535 HydrophobicContact CE1-CB 4.21Å
536	E	91.8	Very high	83.7	Confident	49 Å²	49	65.7 Å²	65.7	23%	0.229	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-13.5	-179.2	-171	166.1	-154.8	0	0	112.3	N504 I524 R526 V534 R591 R594	N504-E536 PolarHBondContact ND2-OE2 3.45Å; I524-E536 HydrophobicContact CG2-CB 4.28Å; I524-E536 PolarHBondContact O-N 2.9Å; R526-E536 HydrophobicContact CB-CB 4.42Å; R526-E536 IonicContact NH1-OE1 2.9Å; V534-E536 PolarHBondContact O-N 2.82Å; E536-R591 IonicContact OE1-CZ 2.73Å; E536-R591 IonicContact OE1-NE 3.61Å; E536-R591 PolarHBondContact OE1-NE 3.02Å; E536-R591 VanDerWaalsContact OE1-NE 3.11Å; E536-R594 VanDerWaalsContact C-NH2 3.27Å; E536-R594 PolarHBondContact O-NH2 3.08Å
537	G	92.4	Very high	83.2	Confident	35 Å²	35	65.4 Å²	65.4	36%	0.361	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	141.8	-155.9	176.3	0	0	0	0	0	112	I524	I524-G537 PolarHBondContact N-O 3.32Å
538	A	95.2	Very high	83.1	Confident	23 Å²	23	64.6 Å²	64.6	19%	0.19	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	163.2	175.9	0	0	0	0	0	112.3	K521 V522 R594	K521-A538 HydrophobicContact CD-CB 4.3Å; K521-A538 HydrophobicContact CG-CB 4.03Å; V522-A538 CarbonylContact O-C 3.56Å; V522-A538 WeakPolarHBondContact O-CA 3.43Å; V522-A538 WeakPolarHBondContact O-CB 3.46Å; A538-R594 WeakPolarHBondContact O-CD 3.3Å; A538-R594 PolarHBondContact O-NH1 2.96Å
539	L	95.4	Very high	83.4	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.3	168.7	-53.7	176.6	0	0	0	108.6	V522 I524 F550 L568 F585 I592	V522-L539 HydrophobicContact CB-CB 4.27Å; V522-L539 PolarHBondContact N-O 3.15Å; V522-L539 VanDerWaalsContact N-O 3.14Å; V522-L539 PolarHBondContact O-N 3.13Å; I524-L539 HydrophobicContact CD1-CD1 4.38Å; I524-L539 HydrophobicContact CD1-CD2 3.96Å; I524-L539 HydrophobicContact CD1-CG 3.95Å; I524-L539 HydrophobicContact CG1-CG 4.4Å; L539-F550 HydrophobicContact CB-CE1 3.94Å; L539-F550 HydrophobicContact CB-CZ 4.13Å; L539-L568 HydrophobicContact CD1-CD2 3.59Å; L539-F585 HydrophobicContact CB-CE1 4.41Å; L539-F585 HydrophobicContact CB-CZ 4.34Å; L539-F585 HydrophobicContact CD1-CD1 4.29Å; L539-F585 HydrophobicContact CD1-CD2 4.26Å; L539-F585 HydrophobicContact CD1-CE1 4.35Å; L539-F585 HydrophobicContact CD1-CE2 4.33Å; L539-F585 HydrophobicContact CD1-CG 4.23Å; L539-F585 HydrophobicContact CD1-CZ 4.37Å; L539-F585 HydrophobicContact CD2-CD1 4.05Å; L539-F585 HydrophobicContact CD2-CE1 4.03Å; L539-F585 HydrophobicContact CG-CE1 4.5Å; L539-I592 HydrophobicContact CD1-CG2 4.37Å; L539-I592 HydrophobicContact CD2-CG2 4.26Å
540	E	90.1	Very high	84.3	Confident	67 Å²	67	60.1 Å²	60.1	31%	0.313	33%	0.327	S	S	.	.			trans	-145.6	144.5	-176.4	-62.8	-178.7	-176.2	0	0	111	K521 H542	K521-E540 HydrophobicContact CD-CG 4.25Å; K521-E540 WeakPolarHBondContact CD-OE1 3.15Å; K521-E540 WeakPolarHBondContact CE-OE1 3.23Å; K521-E540 HydrophobicContact CG-CG 4.07Å; K521-E540 IonicContact NZ-OE1 2.69Å; K521-E540 PolarHBondContact NZ-OE1 3.44Å; E540-H542 PolarHBondContact O-N 3.47Å; E540-H542 PolarHBondContact O-ND1 3.44Å
541	I	82.4	Confident	85.1	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	30%	0.303	C	S	.	.			trans	-83.9	108.7	174.1	-56.7	167.1	0	0	0	109.4	N543 A548 F550 Y583	I541-N543 WeakPolarHBondContact CG2-O 3.43Å; I541-A548 HydrophobicContact CD1-CB 4.27Å; I541-F550 HydrophobicContact CD1-CB 3.61Å; I541-F550 HydrophobicContact CD1-CD2 3.56Å; I541-F550 HydrophobicContact CD1-CE2 4.42Å; I541-F550 HydrophobicContact CD1-CG 3.74Å; I541-F550 HydrophobicContact CG1-CB 4.23Å; I541-F550 HydrophobicContact CG1-CD2 3.74Å; I541-F550 HydrophobicContact CG1-CE2 4.19Å; I541-F550 HydrophobicContact CG1-CG 3.92Å; I541-Y583 HydrophobicContact CD1-CD2 4.49Å; I541-Y583 HydrophobicContact CD1-CE2 3.61Å; I541-Y583 WeakPolarHBondContact CD1-OH 3.49Å; I541-Y583 HydrophobicContact CG1-CE1 4.36Å; I541-Y583 HydrophobicContact CG1-CE2 4.18Å
542	H	70.7	Confident	85.8	Confident	142 Å²	142	57.6 Å²	57.6	66%	0.657	31%	0.313	S	S	*	.			trans	-81.7	-34.2	-178.9	-66.9	42.8	0	0	0	111.9	E540	E540-H542 PolarHBondContact O-N 3.47Å; E540-H542 PolarHBondContact O-ND1 3.44Å
543	N	66.5	Low	86.3	Confident	127 Å²	127	49.9 Å²	49.9	68%	0.679	29%	0.285	S	S	*	.	S	Bend	trans	-122.4	124	179.8	-64.6	-19.4	0	0	0	110.4	I541	I541-N543 WeakPolarHBondContact CG2-O 3.43Å
544	G	61.7	Low	86.6	Confident	63 Å²	63	49.5 Å²	49.5	65%	0.649	28%	0.284	S	S	*	.	S	Bend	trans	100	-5	159.2	0	0	0	0	0	120
545	G	62.2	Low	86.8	Confident	4 Å²	4	46.5 Å²	46.5	4%	0.041	27%	0.266	C	S	.	.			trans	-101.7	100.1	-178.8	0	0	0	0	0	114
546	Q	72.5	Confident	87	Confident	136 Å²	136	43.7 Å²	43.7	64%	0.636	25%	0.248	S	C	*	.	S	Bend	trans	-93.1	127.3	165.1	-57.1	-166.1	-13.6	0	0	109.2	M517 A548	M517-Q546 HydrophobicContact SD-CB 4.01Å; M517-Q546 HydrophobicContact SD-CG 3.58Å; M517-Q546 VanDerWaalsContact SD-CG 3.58Å; Q546-A548 PolarHBondContact O-N 3.13Å
547	N	83.2	Confident	87.2	Confident	83 Å²	83	41.5 Å²	41.5	44%	0.444	24%	0.238	S	C	.	.	S	Bend	trans	49.1	35.7	177.4	-60.3	-27.7	0	0	0	113.7	E518 R549 L574	E518-N547 PolarHBondContact N-OD1 2.63Å; E518-N547 VanDerWaalsContact N-OD1 3.16Å; E518-N547 CarbonylContact O-C 3.5Å; E518-N547 VanDerWaalsContact O-C 3.23Å; E518-N547 WeakPolarHBondContact O-CA 2.87Å; E518-N547 PolarHBondContact O-N 3.18Å; N547-R549 PolarHBondContact O-N 3.13Å; N547-L574 WeakPolarHBondContact O-CB 3.36Å
548	A	90	Very high	87.3	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.			trans	-75.5	-24.1	-164.7	0	0	0	0	0	113.8	E518 I541 Q546 F550 A572 L574 E575	E518-A548 PolarHBondContact O-N 3.22Å; I541-A548 HydrophobicContact CD1-CB 4.27Å; Q546-A548 PolarHBondContact O-N 3.13Å; A548-F550 VanDerWaalsContact C-N 3.3Å; A548-F550 PolarHBondContact O-N 3.33Å; A548-A572 HydrophobicContact CB-CB 4.28Å; A548-A572 CarbonylContact O-C 3.56Å; A548-A572 VanDerWaalsContact O-C 3.23Å; A548-A572 WeakPolarHBondContact O-CA 3.18Å; A548-L574 PolarHBondContact O-N 2.79Å; A548-E575 HydrophobicContact CB-CB 3.83Å; A548-E575 HydrophobicContact CB-CG 3.88Å
549	R	94	Very high	87.2	Confident	82 Å²	82	42.8 Å²	42.8	31%	0.309	24%	0.236	S	C	.	.			trans	51.1	46.7	-169.2	-63.6	-166.3	174.8	166.4	4.4	113.7	P510 E518 N547 G551 S552 L574	P510-R549 HydrophobicContact CB-CB 4.25Å; P510-R549 VanDerWaalsContact O-CA 3.31Å; P510-R549 WeakPolarHBondContact O-CA 3.06Å; E518-R549 HydrophobicContact CG-CG 4.46Å; E518-R549 WeakPolarHBondContact OE1-CD 3.42Å; E518-R549 VanDerWaalsContact OE1-CG 3.24Å; E518-R549 WeakPolarHBondContact OE1-CG 3.38Å; E518-R549 IonicContact OE1-CZ 3.33Å; E518-R549 IonicContact OE1-NE 3.96Å; E518-R549 PolarHBondContact OE1-NE 2.74Å; E518-R549 IonicContact OE1-NH2 3.85Å; E518-R549 IonicContact OE2-NE 3.73Å; E518-R549 IonicContact OE2-NH2 2.74Å; N547-R549 PolarHBondContact O-N 3.13Å; R549-G551 PolarHBondContact O-N 3.24Å; R549-S552 VanDerWaalsContact CB-OG 3.32Å; R549-S552 WeakPolarHBondContact CB-OG 3.22Å; R549-S552 WeakPolarHBondContact O-CB 3.39Å; R549-S552 PolarHBondContact O-N 2.9Å; R549-S552 VanDerWaalsContact O-N 3.15Å; R549-S552 PolarHBondContact O-OG 3.45Å; R549-L574 HydrophobicContact CB-CG 4.38Å; R549-L574 VanDerWaalsContact CD-CD1 3.42Å; R549-L574 HydrophobicContact CG-CB 4.36Å; R549-L574 HydrophobicContact CG-CD1 3.82Å; R549-L574 HydrophobicContact CG-CG 4.1Å
550	F	96.3	Very high	87	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-57.2	128	177.1	178.1	-101.3	0	0	0	111.4	K519 G520 K521 V522 L539 I541 A548 V570 A572 Y583 F585	K519-F550 WeakPolarHBondContact O-CB 3.36Å; K519-F550 PolarHBondContact O-N 2.94Å; K519-F550 VanDerWaalsContact O-N 3.13Å; G520-F550 CarbonylContact C-O 3.58Å; G520-F550 WeakPolarHBondContact CA-O 3.33Å; K521-F550 PolarHBondContact N-O 3.01Å; V522-F550 HydrophobicContact CB-CE1 4.27Å; V522-F550 HydrophobicContact CG2-CD1 4.02Å; V522-F550 HydrophobicContact CG2-CE1 3.67Å; V522-F550 HydrophobicContact CG2-CZ 4.45Å; L539-F550 HydrophobicContact CB-CE1 3.94Å; L539-F550 HydrophobicContact CB-CZ 4.13Å; I541-F550 HydrophobicContact CD1-CB 3.61Å; I541-F550 HydrophobicContact CD1-CD2 3.56Å; I541-F550 HydrophobicContact CD1-CE2 4.42Å; I541-F550 HydrophobicContact CD1-CG 3.74Å; I541-F550 HydrophobicContact CG1-CB 4.23Å; I541-F550 HydrophobicContact CG1-CD2 3.74Å; I541-F550 HydrophobicContact CG1-CE2 4.19Å; I541-F550 HydrophobicContact CG1-CG 3.92Å; A548-F550 VanDerWaalsContact C-N 3.3Å; A548-F550 PolarHBondContact O-N 3.33Å; F550-V570 HydrophobicContact CD1-CG1 4.36Å; F550-V570 HydrophobicContact CD2-CB 4.42Å; F550-V570 HydrophobicContact CD2-CG1 3.72Å; F550-V570 HydrophobicContact CE1-CG1 4Å; F550-V570 HydrophobicContact CE2-CB 3.64Å; F550-V570 HydrophobicContact CE2-CG1 3.33Å; F550-V570 HydrophobicContact CE2-CG2 4.39Å; F550-V570 HydrophobicContact CG-CG1 4.24Å; F550-V570 HydrophobicContact CZ-CB 3.83Å; F550-V570 HydrophobicContact CZ-CG1 3.48Å; F550-V570 VanDerWaalsContact CZ-CG1 3.48Å; F550-V570 HydrophobicContact CZ-CG2 4.1Å; F550-A572 HydrophobicContact CB-CB 4.47Å; F550-A572 HydrophobicContact CD2-CB 4.41Å; F550-Y583 AromaticContact CD2-CD2 3.85Å; F550-Y583 HydrophobicContact CD2-CD2 3.85Å; F550-Y583 HydrophobicContact CD2-CE2 4.12Å; F550-Y583 AromaticContact CE2-CD2 3.78Å; F550-Y583 HydrophobicContact CE2-CD2 3.78Å; F550-Y583 HydrophobicContact CE2-CE2 4.41Å; F550-Y583 HydrophobicContact CE2-CG 4.04Å; F550-F585 AromaticContact CE2-CE2 3.97Å; F550-F585 HydrophobicContact CE2-CE2 3.97Å; F550-F585 HydrophobicContact CE2-CZ 4.14Å; F550-F585 AromaticContact CZ-CE2 3.71Å; F550-F585 HydrophobicContact CZ-CE2 3.71Å; F550-F585 AromaticContact CZ-CZ 3.7Å; F550-F585 HydrophobicContact CZ-CZ 3.7Å
551	G	96.4	Very high	87	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	8.2	-174.4	0	0	0	0	0	114.3	A508 R549 S553 G571	A508-G551 WeakPolarHBondContact CB-O 3.36Å; R549-G551 PolarHBondContact O-N 3.24Å; G551-S553 PolarHBondContact O-N 2.79Å; G551-G571 PolarHBondContact N-O 2.85Å
552	S	96.6	Very high	87.3	Confident	36 Å²	36	40.9 Å²	40.9	25%	0.252	23%	0.234	S	C	.	.	S	Bend	trans	-62.5	-23.7	176.5	-66.1	0	0	0	0	113.5	R549 G571	R549-S552 VanDerWaalsContact CB-OG 3.32Å; R549-S552 WeakPolarHBondContact CB-OG 3.22Å; R549-S552 WeakPolarHBondContact O-CB 3.39Å; R549-S552 PolarHBondContact O-N 2.9Å; R549-S552 VanDerWaalsContact O-N 3.15Å; R549-S552 PolarHBondContact O-OG 3.45Å; S552-G571 PolarHBondContact N-O 3.22Å
553	S	97.6	Very high	88.2	Confident	6 Å²	6	35.8 Å²	35.8	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	141.8	169.5	64	0	0	0	0	109.4	G551 G571 G613 I616	G551-S553 PolarHBondContact O-N 2.79Å; S553-G571 PolarHBondContact O-N 3.48Å; S553-G613 PolarHBondContact OG-O 3.16Å; S553-I616 WeakPolarHBondContact OG-CD1 3.36Å; S553-I616 WeakPolarHBondContact OG-CG1 3.19Å
554	L	97.9	Very high	89.4	Confident	11 Å²	11	32.1 Å²	32.1	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129	176.8	-62.9	177.5	0	0	0	109.2	E490 A492 L506 A508 V522 V570	E490-L554 HydrophobicContact CB-CG 4.49Å; E490-L554 HydrophobicContact CG-CB 3.91Å; E490-L554 HydrophobicContact CG-CD1 3.97Å; E490-L554 HydrophobicContact CG-CG 3.68Å; E490-L554 PolarHBondContact OE1-N 3.04Å; A492-L554 HydrophobicContact CB-CB 3.67Å; A492-L554 HydrophobicContact CB-CD1 3.97Å; A492-L554 HydrophobicContact CB-CG 4.49Å; L506-L554 HydrophobicContact CB-CD1 3.94Å; A508-L554 HydrophobicContact CB-CD1 4.21Å; V522-L554 HydrophobicContact CG1-CD1 4.21Å; V522-L554 HydrophobicContact CG1-CD2 4.06Å; V522-L554 HydrophobicContact CG2-CD2 3.94Å; L554-V570 HydrophobicContact CD2-CB 4.32Å; L554-V570 HydrophobicContact CD2-CG1 3.85Å; L554-V570 HydrophobicContact CD2-CG2 3.85Å
555	A	97	Very high	90.9	Very high	6 Å²	6	31.4 Å²	31.4	5%	0.05	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	100.1	175.5	0	0	0	0	0	109.3	V557 V569 I616	A555-V557 HydrophobicContact CB-CG1 4.29Å; A555-V557 PolarHBondContact O-N 3.46Å; A555-V569 HydrophobicContact CB-CB 4.39Å; A555-V569 PolarHBondContact N-O 3.05Å; A555-V569 PolarHBondContact O-N 3.16Å; A555-I616 HydrophobicContact CB-CB 3.86Å; A555-I616 HydrophobicContact CB-CG2 3.58Å
556	P	96.3	Very high	92.5	Very high	42 Å²	42	33 Å²	33	27%	0.273	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	128	159.6	-15.3	30.3	0	0	0	108	A492 P493 V494	A492-P556 HydrophobicContact CB-CG 3.8Å; P493-P556 WeakPolarHBondContact O-CG 3.39Å; V494-P556 HydrophobicContact CG2-CB 4.18Å; V494-P556 HydrophobicContact CG2-CG 4.01Å
557	V	96.1	Very high	93.6	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.1	-177.5	-61.6	0	0	0	0	108.7	A555 L560 N566 D567 V569 G618 L630	A555-V557 HydrophobicContact CB-CG1 4.29Å; A555-V557 PolarHBondContact O-N 3.46Å; V557-L560 HydrophobicContact CG2-CD1 3.91Å; V557-L560 HydrophobicContact CG2-CD2 4.41Å; V557-L560 HydrophobicContact CG2-CG 3.99Å; V557-N566 WeakPolarHBondContact O-CB 3.22Å; V557-D567 HydrophobicContact CG2-CB 3.84Å; V557-D567 PolarHBondContact N-O 2.85Å; V557-D567 PolarHBondContact O-N 2.8Å; V557-D567 VanDerWaalsContact O-O 3.11Å; V557-V569 HydrophobicContact CG1-CG2 3.97Å; V557-V569 HydrophobicContact CG2-CG2 3.98Å; V557-G618 WeakPolarHBondContact CA-O 3.47Å; V557-G618 WeakPolarHBondContact CB-O 3.39Å; V557-G618 VanDerWaalsContact CG1-O 3.27Å; V557-G618 WeakPolarHBondContact CG1-O 3.08Å; V557-L630 HydrophobicContact CG1-CD2 3.8Å
558	P	94.8	Very high	94.3	Very high	45 Å²	45	22.6 Å²	22.6	29%	0.292	14%	0.139	S	C	.	.	S	Bend	trans	-55.2	159.4	169.2	-22.9	32	0	0	0	112	L560 N566 G618 V628	P558-L560 PolarHBondContact O-N 3.28Å; P558-L560 VanDerWaalsContact O-N 3.11Å; P558-N566 WeakPolarHBondContact CA-OD1 3.39Å; P558-G618 WeakPolarHBondContact CD-O 3.37Å; P558-V628 HydrophobicContact CB-CG2 3.8Å; P558-V628 HydrophobicContact CG-CG1 4.43Å; P558-V628 HydrophobicContact CG-CG2 4.02Å
559	D	93.3	Very high	94.6	Very high	40 Å²	40	22.6 Å²	22.6	21%	0.214	14%	0.139	C	C	.	.			trans	-43.6	114	179.5	179.1	6.3	0	0	0	112.7	N561 G562 D563 G564 F565 N566	D559-N561 PolarHBondContact OD1-N 2.83Å; D559-N561 PolarHBondContact OD1-OD1 2.8Å; D559-G562 VanDerWaalsContact CG-N 3.32Å; D559-G562 PolarHBondContact OD1-N 2.82Å; D559-G562 WeakPolarHBondContact OD2-CA 3.29Å; D559-G562 PolarHBondContact OD2-N 2.98Å; D559-D563 PolarHBondContact OD1-N 3.04Å; D559-D563 PolarHBondContact OD2-N 2.77Å; D559-G564 WeakPolarHBondContact OD2-CA 3.48Å; D559-G564 PolarHBondContact OD2-N 2.69Å; D559-F565 WeakPolarHBondContact CA-O 3.37Å; D559-F565 VanDerWaalsContact CB-O 3.22Å; D559-F565 WeakPolarHBondContact CB-O 3.34Å; D559-N566 PolarHBondContact N-OD1 3.3Å
560	L	92.5	Very high	94.8	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.021	13%	0.125	C	C	.	.	S	Bend	trans	-86.6	-22.8	178.5	-64.4	175.8	0	0	0	111.6	N24 I25 V557 P558 D567 I584 F586 V628	N24-L560 PolarHBondContact ND2-O 3.46Å; I25-L560 HydrophobicContact CD1-CD1 4.36Å; I25-L560 HydrophobicContact CD1-CD2 4.35Å; V557-L560 HydrophobicContact CG2-CD1 3.91Å; V557-L560 HydrophobicContact CG2-CD2 4.41Å; V557-L560 HydrophobicContact CG2-CG 3.99Å; P558-L560 PolarHBondContact O-N 3.28Å; P558-L560 VanDerWaalsContact O-N 3.11Å; L560-D567 WeakPolarHBondContact CB-OD2 3.44Å; L560-D567 HydrophobicContact CD1-CB 4.4Å; L560-D567 HydrophobicContact CG-CB 4.41Å; L560-D567 PolarHBondContact N-OD2 3.4Å; L560-I584 HydrophobicContact CD1-CG2 3.86Å; L560-F586 HydrophobicContact CB-CE1 4.31Å; L560-V628 HydrophobicContact CD2-CB 4.3Å; L560-V628 HydrophobicContact CD2-CG1 4.38Å
561	N	89.5	Confident	94.9	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.021	13%	0.125	C	C	.	.	S	Bend	trans	-110.8	-7.6	-165.1	79.7	39.7	0	0	0	113.9	F23 D559 D563 F586 R688	F23-N561 HydrophobicContact CE1-CB 3.43Å; F23-N561 VanDerWaalsContact CE1-CB 3.43Å; F23-N561 HydrophobicContact CZ-CB 3.53Å; D559-N561 PolarHBondContact OD1-N 2.83Å; D559-N561 PolarHBondContact OD1-OD1 2.8Å; N561-D563 PolarHBondContact ND2-OD2 3.35Å; N561-D563 WeakPolarHBondContact OD1-CA 3.32Å; N561-D563 WeakPolarHBondContact OD1-CB 3.47Å; N561-D563 PolarHBondContact OD1-N 2.84Å; N561-D563 PolarHBondContact OD1-OD1 3.46Å; N561-D563 PolarHBondContact OD1-OD2 2.99Å; N561-F586 HydrophobicContact CB-CD2 4.25Å; N561-F586 HydrophobicContact CB-CE1 4.39Å; N561-F586 HydrophobicContact CB-CE2 3.59Å; N561-F586 HydrophobicContact CB-CZ 3.65Å; N561-F586 WeakPolarHBondContact ND2-CD2 3.36Å; N561-F586 WeakPolarHBondContact ND2-CE2 2.95Å; N561-R688 VanDerWaalsContact O-CD 3.3Å; N561-R688 WeakPolarHBondContact O-CD 3.33Å; N561-R688 PolarHBondContact O-NH1 2.84Å; N561-R688 PolarHBondContact OD1-NH1 2.78Å
562	G	88.8	Confident	94.9	Very high	24 Å²	24	18.7 Å²	18.7	25%	0.247	13%	0.125	C	C	.	.	S	Bend	trans	77.5	26.2	-178.7	0	0	0	0	0	114.1	D559 R688	D559-G562 VanDerWaalsContact CG-N 3.32Å; D559-G562 PolarHBondContact OD1-N 2.82Å; D559-G562 WeakPolarHBondContact OD2-CA 3.29Å; D559-G562 PolarHBondContact OD2-N 2.98Å; G562-R688 PolarHBondContact O-NE 2.98Å
563	D	89.4	Confident	94.9	Very high	35 Å²	35	17.4 Å²	17.4	19%	0.187	12%	0.115	C	C	.	.	S	Bend	trans	-88.5	-7	176	67.2	12.8	0	0	0	115.2	D559 N561 F565 R688	D559-D563 PolarHBondContact OD1-N 3.04Å; D559-D563 PolarHBondContact OD2-N 2.77Å; N561-D563 PolarHBondContact ND2-OD2 3.35Å; N561-D563 WeakPolarHBondContact OD1-CA 3.32Å; N561-D563 WeakPolarHBondContact OD1-CB 3.47Å; N561-D563 PolarHBondContact OD1-N 2.84Å; N561-D563 PolarHBondContact OD1-OD1 3.46Å; N561-D563 PolarHBondContact OD1-OD2 2.99Å; D563-F565 HydrophobicContact CB-CD2 4.41Å; D563-F565 WeakPolarHBondContact OD1-CA 3.4Å; D563-F565 WeakPolarHBondContact OD1-CB 3.12Å; D563-F565 PolarHBondContact OD1-N 2.83Å; D563-R688 VanDerWaalsContact CA-CZ 3.47Å; D563-R688 VanDerWaalsContact CB-CZ 3.44Å
564	G	90.6	Very high	94.8	Very high	51 Å²	51	18.4 Å²	18.4	53%	0.526	12%	0.12	S	C	.	.	S	Bend	trans	83.6	7.7	-175.7	0	0	0	0	0	113.9	D559	D559-G564 WeakPolarHBondContact OD2-CA 3.48Å; D559-G564 PolarHBondContact OD2-N 2.69Å
565	F	94.4	Very high	94.5	Very high	47 Å²	47	17.9 Å²	17.9	21%	0.206	12%	0.117	C	C	.	.	S	Bend	trans	-118	137.9	175.4	-59	-74.1	0	0	0	111.6	I496 D497 D559 D563	I496-F565 HydrophobicContact CG2-CB 4.06Å; I496-F565 HydrophobicContact CG2-CD1 3.9Å; I496-F565 HydrophobicContact CG2-CG 4.34Å; I496-F565 CarbonylContact O-C 3.58Å; I496-F565 WeakPolarHBondContact O-CA 3.24Å; D497-F565 HydrophobicContact CB-CD1 4.29Å; D497-F565 HydrophobicContact CB-CE1 4.28Å; D559-F565 WeakPolarHBondContact CA-O 3.37Å; D559-F565 VanDerWaalsContact CB-O 3.22Å; D559-F565 WeakPolarHBondContact CB-O 3.34Å; D563-F565 HydrophobicContact CB-CD2 4.41Å; D563-F565 WeakPolarHBondContact OD1-CA 3.4Å; D563-F565 WeakPolarHBondContact OD1-CB 3.12Å; D563-F565 PolarHBondContact OD1-N 2.83Å
566	N	95.7	Very high	94.3	Very high	39 Å²	39	20.1 Å²	20.1	21%	0.209	13%	0.128	C	C	.	.			trans	-71.6	146.5	176.6	-64.5	-33.1	0	0	0	111.5	D495 I496 V557 P558 D559 S587	D495-N566 VanDerWaalsContact O-CB 3.29Å; D495-N566 WeakPolarHBondContact O-CB 3.19Å; D495-N566 PolarHBondContact O-ND2 2.9Å; I496-N566 PolarHBondContact O-N 2.93Å; V557-N566 WeakPolarHBondContact O-CB 3.22Å; P558-N566 WeakPolarHBondContact CA-OD1 3.39Å; D559-N566 PolarHBondContact N-OD1 3.3Å; N566-S587 WeakPolarHBondContact O-CB 3.36Å; N566-S587 PolarHBondContact O-OG 3.11Å
567	D	95.4	Very high	94	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	175.4	-172.4	-67.1	-43.1	0	0	0	112.2	V557 L560 F586 S587	V557-D567 HydrophobicContact CG2-CB 3.84Å; V557-D567 PolarHBondContact N-O 2.85Å; V557-D567 PolarHBondContact O-N 2.8Å; V557-D567 VanDerWaalsContact O-O 3.11Å; L560-D567 WeakPolarHBondContact CB-OD2 3.44Å; L560-D567 HydrophobicContact CD1-CB 4.4Å; L560-D567 HydrophobicContact CG-CB 4.41Å; L560-D567 PolarHBondContact N-OD2 3.4Å; D567-F586 HydrophobicContact CB-CD1 4.15Å; D567-F586 VanDerWaalsContact CG-CD1 3.41Å; D567-F586 VanDerWaalsContact OD1-CA 3.22Å; D567-F586 WeakPolarHBondContact OD1-CA 2.77Å; D567-F586 VanDerWaalsContact OD1-CD1 3.29Å; D567-F586 WeakPolarHBondContact OD1-CD1 3.38Å; D567-F586 WeakPolarHBondContact OD2-CD1 3.3Å; D567-F586 WeakPolarHBondContact OD2-CE1 3.31Å; D567-S587 PolarHBondContact OD1-N 2.95Å
568	L	97.1	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.3	-179.6	176.5	72.3	0	0	0	111.7	L506 L539 V570 F585 I592	L506-L568 HydrophobicContact CD1-CD1 3.47Å; L506-L568 VanDerWaalsContact CD1-CD1 3.47Å; L506-L568 HydrophobicContact CD1-CD2 3.4Å; L506-L568 HydrophobicContact CD1-CG 4.03Å; L539-L568 HydrophobicContact CD1-CD2 3.59Å; L568-V570 HydrophobicContact CD2-CG2 3.74Å; L568-V570 HydrophobicContact CG-CG2 3.88Å; L568-F585 HydrophobicContact CB-CB 4.35Å; L568-F585 PolarHBondContact N-O 2.91Å; L568-F585 PolarHBondContact O-N 2.67Å; L568-I592 HydrophobicContact CD2-CD1 4.46Å
569	V	97.9	Very high	93.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.4	169.4	-170.1	0	0	0	0	110.4	A555 V557 I582 Y583 I584 I616 L630	A555-V569 HydrophobicContact CB-CB 4.39Å; A555-V569 PolarHBondContact N-O 3.05Å; A555-V569 PolarHBondContact O-N 3.16Å; V557-V569 HydrophobicContact CG1-CG2 3.97Å; V557-V569 HydrophobicContact CG2-CG2 3.98Å; V569-I582 HydrophobicContact CG1-CB 4.16Å; V569-I582 HydrophobicContact CG1-CD1 4.04Å; V569-Y583 CarbonylContact C-O 3.46Å; V569-Y583 VanDerWaalsContact CA-O 3.31Å; V569-Y583 WeakPolarHBondContact CA-O 3.17Å; V569-I584 HydrophobicContact CG1-CG1 4.48Å; V569-I584 HydrophobicContact CG2-CG1 4.31Å; V569-I616 HydrophobicContact CB-CG2 4.32Å; V569-I616 HydrophobicContact CG1-CD1 3.98Å; V569-I616 HydrophobicContact CG1-CG2 4.09Å; V569-L630 HydrophobicContact CG2-CD1 4.03Å; V569-L630 HydrophobicContact CG2-CD2 4.1Å
570	V	98.1	Very high	94	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.6	-178.5	-174.2	0	0	0	0	110.8	V522 F550 L554 L568 I582 Y583 F585	V522-V570 HydrophobicContact CG2-CG1 4.16Å; F550-V570 HydrophobicContact CD1-CG1 4.36Å; F550-V570 HydrophobicContact CD2-CB 4.42Å; F550-V570 HydrophobicContact CD2-CG1 3.72Å; F550-V570 HydrophobicContact CE1-CG1 4Å; F550-V570 HydrophobicContact CE2-CB 3.64Å; F550-V570 HydrophobicContact CE2-CG1 3.33Å; F550-V570 HydrophobicContact CE2-CG2 4.39Å; F550-V570 HydrophobicContact CG-CG1 4.24Å; F550-V570 HydrophobicContact CZ-CB 3.83Å; F550-V570 HydrophobicContact CZ-CG1 3.48Å; F550-V570 VanDerWaalsContact CZ-CG1 3.48Å; F550-V570 HydrophobicContact CZ-CG2 4.1Å; L554-V570 HydrophobicContact CD2-CB 4.32Å; L554-V570 HydrophobicContact CD2-CG1 3.85Å; L554-V570 HydrophobicContact CD2-CG2 3.85Å; L568-V570 HydrophobicContact CD2-CG2 3.74Å; L568-V570 HydrophobicContact CG-CG2 3.88Å; V570-I582 CarbonylContact O-C 3.4Å; V570-I582 WeakPolarHBondContact O-CA 3.37Å; V570-Y583 PolarHBondContact N-O 2.9Å; V570-Y583 PolarHBondContact O-N 2.86Å; V570-F585 HydrophobicContact CB-CE2 4.18Å; V570-F585 HydrophobicContact CG2-CD2 3.93Å; V570-F585 HydrophobicContact CG2-CE2 3.87Å
571	G	97.5	Very high	94.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	141.4	178.9	0	0	0	0	0	114.1	G551 S552 S553 G613	G551-G571 PolarHBondContact N-O 2.85Å; S552-G571 PolarHBondContact N-O 3.22Å; S553-G571 PolarHBondContact O-N 3.48Å; G571-G613 WeakPolarHBondContact CA-O 3.49Å
572	A	96.7	Very high	94.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	70.8	173.9	0	0	0	0	0	109.8	A548 F550 L574 E575 G580 A581 Y583	A548-A572 HydrophobicContact CB-CB 4.28Å; A548-A572 CarbonylContact O-C 3.56Å; A548-A572 VanDerWaalsContact O-C 3.23Å; A548-A572 WeakPolarHBondContact O-CA 3.18Å; F550-A572 HydrophobicContact CB-CB 4.47Å; F550-A572 HydrophobicContact CD2-CB 4.41Å; A572-L574 PolarHBondContact O-N 2.88Å; A572-L574 VanDerWaalsContact O-N 3.17Å; A572-E575 HydrophobicContact CB-CB 4.29Å; A572-E575 WeakPolarHBondContact CB-OE2 3.47Å; A572-E575 WeakPolarHBondContact O-CB 3.43Å; A572-E575 PolarHBondContact O-N 2.89Å; A572-G580 WeakPolarHBondContact O-CA 3.3Å; A572-A581 PolarHBondContact N-O 2.95Å; A572-A581 PolarHBondContact O-N 2.87Å; A572-Y583 HydrophobicContact CB-CD2 4.3Å; A572-Y583 HydrophobicContact CB-CE2 3.86Å
573	P	96.8	Very high	94.7	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.058	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.3	-167.3	25.9	-35	0	0	0	115	G580 Y611 F612 R614	P573-G580 VanDerWaalsContact O-CA 3.27Å; P573-G580 WeakPolarHBondContact O-CA 3.42Å; P573-Y611 WeakPolarHBondContact O-CA 3.43Å; P573-F612 WeakPolarHBondContact CA-O 3.19Å; P573-R614 HydrophobicContact CB-CB 3.97Å; P573-R614 HydrophobicContact CG-CB 4.38Å
574	L	94.9	Very high	95	Very high	27 Å²	27	25.1 Å²	25.1	14%	0.141	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-3.6	-178.7	-63.4	-158.6	0	0	0	113.8	N547 A548 R549 A572 H578 Y611	N547-L574 WeakPolarHBondContact O-CB 3.36Å; A548-L574 PolarHBondContact O-N 2.79Å; R549-L574 HydrophobicContact CB-CG 4.38Å; R549-L574 VanDerWaalsContact CD-CD1 3.42Å; R549-L574 HydrophobicContact CG-CB 4.36Å; R549-L574 HydrophobicContact CG-CD1 3.82Å; R549-L574 HydrophobicContact CG-CG 4.1Å; A572-L574 PolarHBondContact O-N 2.88Å; A572-L574 VanDerWaalsContact O-N 3.17Å; L574-H578 PolarHBondContact O-N 2.86Å; L574-Y611 HydrophobicContact CD2-CD1 3.53Å; L574-Y611 HydrophobicContact CD2-CE1 3.44Å; L574-Y611 VanDerWaalsContact CD2-CE1 3.44Å
575	E	92.8	Very high	95.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.9	160.6	177.3	-156.2	176.9	161.7	0	0	112.2	A548 A572 D577 H578 K579 G580 A581 Y583 R599	A548-E575 HydrophobicContact CB-CB 3.83Å; A548-E575 HydrophobicContact CB-CG 3.88Å; A572-E575 HydrophobicContact CB-CB 4.29Å; A572-E575 WeakPolarHBondContact CB-OE2 3.47Å; A572-E575 WeakPolarHBondContact O-CB 3.43Å; A572-E575 PolarHBondContact O-N 2.89Å; E575-D577 VanDerWaalsContact C-N 3.29Å; E575-D577 PolarHBondContact O-N 2.93Å; E575-H578 PolarHBondContact O-N 3.06Å; E575-K579 PolarHBondContact O-N 2.9Å; E575-G580 PolarHBondContact O-N 2.79Å; E575-A581 HydrophobicContact CB-CB 4.45Å; E575-Y583 PolarHBondContact OE1-OH 2.75Å; E575-Y583 VanDerWaalsContact OE2-CE2 3.25Å; E575-Y583 WeakPolarHBondContact OE2-CE2 3.31Å; E575-Y583 PolarHBondContact OE2-OH 2.97Å; E575-R599 VanDerWaalsContact CD-NH2 3.27Å; E575-R599 IonicContact OE1-CZ 2.6Å; E575-R599 IonicContact OE1-NE 2.83Å; E575-R599 PolarHBondContact OE1-NE 2.94Å; E575-R599 VanDerWaalsContact OE1-NE 3.1Å; E575-R599 IonicContact OE1-NH2 2.68Å; E575-R599 PolarHBondContact OE1-NH2 2.83Å; E575-R599 IonicContact OE2-NH2 3.18Å
576	D	91	Very high	95.1	Very high	53 Å²	53	21.1 Å²	21.1	28%	0.283	11%	0.106	S	C	.	.	H	α-helix	trans	55.2	40.5	179.5	-62	-26.8	0	0	0	113.7	K579 R599 A601	D576-K579 HydrophobicContact CB-CB 4.21Å; D576-K579 VanDerWaalsContact O-CD 3.29Å; D576-K579 WeakPolarHBondContact O-CD 3.45Å; D576-K579 WeakPolarHBondContact O-CE 3.39Å; D576-K579 WeakPolarHBondContact O-CG 3.45Å; D576-R599 VanDerWaalsContact CG-NH2 3.29Å; D576-R599 IonicContact OD1-NH2 2.72Å; D576-R599 PolarHBondContact OD1-NH2 3.06Å; D576-R599 IonicContact OD2-CZ 2.79Å; D576-R599 IonicContact OD2-NH1 3.01Å; D576-R599 IonicContact OD2-NH2 2.78Å; D576-R599 PolarHBondContact OD2-NH2 2.99Å; D576-A601 WeakPolarHBondContact OD2-CB 3.2Å
577	D	91.2	Very high	95	Very high	127 Å²	127	19.3 Å²	19.3	68%	0.679	10%	0.096	S	C	*	.	H	α-helix	trans	59.5	64.3	-174.9	-174.4	28.2	0	0	0	112.2	E575 K579	E575-D577 VanDerWaalsContact C-N 3.29Å; E575-D577 PolarHBondContact O-N 2.93Å; D577-K579 PolarHBondContact O-N 3.2Å
578	H	92.9	Very high	94.6	Very high	83 Å²	83	24 Å²	24	38%	0.384	12%	0.117	S	C	.	.	H	α-helix	trans	64.6	10.1	175.8	-55.2	79.9	0	0	0	114.6	L574 E575 Q610 Y611	L574-H578 PolarHBondContact O-N 2.86Å; E575-H578 PolarHBondContact O-N 3.06Å; H578-Q610 WeakPolarHBondContact O-CA 3.44Å; H578-Y611 HydrophobicContact CB-CD1 4.25Å; H578-Y611 HydrophobicContact CB-CE1 3.66Å; H578-Y611 AromaticContact CD2-CE1 3.75Å; H578-Y611 WeakPolarHBondContact O-CD1 3.39Å; H578-Y611 PolarHBondContact O-N 3.32Å
579	K	94.9	Very high	94.1	Very high	91 Å²	91	30.6 Å²	30.6	40%	0.396	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-44	175.2	-63.8	179.9	-158.2	164.2	0	110.7	E575 D576 D577 A602 V603 Q610 Y611 F612	E575-K579 PolarHBondContact O-N 2.9Å; D576-K579 HydrophobicContact CB-CB 4.21Å; D576-K579 VanDerWaalsContact O-CD 3.29Å; D576-K579 WeakPolarHBondContact O-CD 3.45Å; D576-K579 WeakPolarHBondContact O-CE 3.39Å; D576-K579 WeakPolarHBondContact O-CG 3.45Å; D577-K579 PolarHBondContact O-N 3.2Å; K579-A602 HydrophobicContact CB-CB 4.29Å; K579-A602 WeakPolarHBondContact O-CB 3.41Å; K579-V603 HydrophobicContact CB-CG1 4.32Å; K579-V603 HydrophobicContact CD-CG1 3.33Å; K579-V603 HydrophobicContact CG-CG1 4.45Å; K579-Q610 CarbonylContact O-C 3.5Å; K579-Q610 WeakPolarHBondContact O-CA 3.23Å; K579-Y611 PolarHBondContact O-N 2.8Å; K579-F612 VanDerWaalsContact O-CB 3.31Å; K579-F612 WeakPolarHBondContact O-CB 3.24Å; K579-F612 PolarHBondContact O-N 3.31Å
580	G	95.1	Very high	93.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.			trans	92.5	156.6	173.5	0	0	0	0	0	114.5	A572 P573 E575 A602 F612	A572-G580 WeakPolarHBondContact O-CA 3.3Å; P573-G580 VanDerWaalsContact O-CA 3.27Å; P573-G580 WeakPolarHBondContact O-CA 3.42Å; E575-G580 PolarHBondContact O-N 2.79Å; G580-A602 VanDerWaalsContact O-CB 3.28Å; G580-A602 WeakPolarHBondContact O-CB 3.2Å; G580-A602 PolarHBondContact O-N 3.12Å; G580-F612 CarbonylContact C-O 3.38Å; G580-F612 WeakPolarHBondContact CA-O 3.5Å
581	A	95.2	Very high	93.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	164	177.9	0	0	0	0	0	111.4	A572 E575 Y583 I600 F612	A572-A581 PolarHBondContact N-O 2.95Å; A572-A581 PolarHBondContact O-N 2.87Å; E575-A581 HydrophobicContact CB-CB 4.45Å; A581-Y583 HydrophobicContact CB-CE2 4.47Å; A581-I600 CarbonylContact C-O 3.33Å; A581-I600 VanDerWaalsContact CA-O 3.3Å; A581-I600 WeakPolarHBondContact CA-O 3.2Å; A581-F612 PolarHBondContact N-O 3.49Å
582	I	96.6	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.5	167.3	65.8	167.6	0	0	0	110.7	V569 V570 R599 I600 F612 I616 L630 V632 L641	V569-I582 HydrophobicContact CG1-CB 4.16Å; V569-I582 HydrophobicContact CG1-CD1 4.04Å; V570-I582 CarbonylContact O-C 3.4Å; V570-I582 WeakPolarHBondContact O-CA 3.37Å; I582-R599 WeakPolarHBondContact O-CA 3.4Å; I582-I600 HydrophobicContact CD1-CB 4.38Å; I582-I600 HydrophobicContact CD1-CD1 4.17Å; I582-I600 HydrophobicContact CG1-CB 3.79Å; I582-I600 HydrophobicContact CG1-CD1 4.42Å; I582-I600 HydrophobicContact CG1-CG1 4.41Å; I582-I600 PolarHBondContact N-O 2.81Å; I582-I600 PolarHBondContact O-N 2.91Å; I582-F612 HydrophobicContact CB-CE1 4.47Å; I582-F612 HydrophobicContact CD1-CZ 4.49Å; I582-F612 HydrophobicContact CG1-CE1 4Å; I582-F612 HydrophobicContact CG1-CZ 4.47Å; I582-F612 HydrophobicContact CG2-CD1 4.33Å; I582-F612 HydrophobicContact CG2-CE1 3.91Å; I582-I616 HydrophobicContact CB-CD1 4.26Å; I582-I616 HydrophobicContact CG2-CD1 3.56Å; I582-I616 HydrophobicContact CG2-CG1 4.28Å; I582-L630 HydrophobicContact CD1-CD1 4.49Å; I582-V632 HydrophobicContact CD1-CG2 3.92Å; I582-V632 HydrophobicContact CG2-CG1 4.03Å; I582-L641 HydrophobicContact CD1-CD1 3.91Å
583	Y	95.5	Very high	92.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.7	-178.9	-68.3	-92.4	0	0	0	110.5	I541 F550 V569 V570 A572 E575 A581 Y596 R599	I541-Y583 HydrophobicContact CD1-CD2 4.49Å; I541-Y583 HydrophobicContact CD1-CE2 3.61Å; I541-Y583 WeakPolarHBondContact CD1-OH 3.49Å; I541-Y583 HydrophobicContact CG1-CE1 4.36Å; I541-Y583 HydrophobicContact CG1-CE2 4.18Å; F550-Y583 AromaticContact CD2-CD2 3.85Å; F550-Y583 HydrophobicContact CD2-CD2 3.85Å; F550-Y583 HydrophobicContact CD2-CE2 4.12Å; F550-Y583 AromaticContact CE2-CD2 3.78Å; F550-Y583 HydrophobicContact CE2-CD2 3.78Å; F550-Y583 HydrophobicContact CE2-CE2 4.41Å; F550-Y583 HydrophobicContact CE2-CG 4.04Å; V569-Y583 CarbonylContact C-O 3.46Å; V569-Y583 VanDerWaalsContact CA-O 3.31Å; V569-Y583 WeakPolarHBondContact CA-O 3.17Å; V570-Y583 PolarHBondContact N-O 2.9Å; V570-Y583 PolarHBondContact O-N 2.86Å; A572-Y583 HydrophobicContact CB-CD2 4.3Å; A572-Y583 HydrophobicContact CB-CE2 3.86Å; E575-Y583 PolarHBondContact OE1-OH 2.75Å; E575-Y583 VanDerWaalsContact OE2-CE2 3.25Å; E575-Y583 WeakPolarHBondContact OE2-CE2 3.31Å; E575-Y583 PolarHBondContact OE2-OH 2.97Å; A581-Y583 HydrophobicContact CB-CE2 4.47Å; Y583-Y596 AromaticContact CD1-CD1 3.6Å; Y583-Y596 HydrophobicContact CD1-CD1 3.6Å; Y583-Y596 HydrophobicContact CD1-CD2 4.05Å; Y583-Y596 AromaticContact CD1-CE1 3.97Å; Y583-Y596 HydrophobicContact CD1-CE1 3.97Å; Y583-Y596 HydrophobicContact CD1-CE2 4.4Å; Y583-Y596 AromaticContact CD1-CG 3.64Å; Y583-Y596 HydrophobicContact CD1-CG 3.64Å; Y583-Y596 AromaticContact CE1-CD1 3.86Å; Y583-Y596 HydrophobicContact CE1-CD1 3.86Å; Y583-Y596 AromaticContact CE1-CE1 3.74Å; Y583-Y596 HydrophobicContact CE1-CE1 3.74Å; Y583-Y596 HydrophobicContact CE1-CE2 4.44Å; Y583-Y596 HydrophobicContact CE1-CG 4.26Å; Y583-R599 HydrophobicContact CD1-CB 3.98Å; Y583-R599 HydrophobicContact CD1-CG 3.99Å; Y583-R599 HydrophobicContact CE1-CB 3.91Å; Y583-R599 HydrophobicContact CE1-CG 3.58Å; Y583-R599 PolarHBondContact OH-NE 3.08Å
584	I	95.3	Very high	92.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.7	179.1	-51.2	-176.4	0	0	0	108.7	I25 L560 V569 F586 Y596 K597 Q598 I600 L630	I25-I584 HydrophobicContact CB-CD1 4.23Å; I25-I584 HydrophobicContact CG1-CD1 3.39Å; L560-I584 HydrophobicContact CD1-CG2 3.86Å; V569-I584 HydrophobicContact CG1-CG1 4.48Å; V569-I584 HydrophobicContact CG2-CG1 4.31Å; I584-F586 HydrophobicContact CG2-CD1 4.09Å; I584-F586 HydrophobicContact CG2-CE1 3.68Å; I584-Y596 CarbonylContact O-C 3.11Å; I584-Y596 VanDerWaalsContact O-CA 3.3Å; I584-Y596 WeakPolarHBondContact O-CA 3.38Å; I584-Y596 WeakPolarHBondContact O-CB 3.32Å; I584-K597 PolarHBondContact O-N 2.81Å; I584-Q598 HydrophobicContact CB-CB 4.3Å; I584-Q598 HydrophobicContact CD1-CB 4.21Å; I584-Q598 HydrophobicContact CG1-CB 4.39Å; I584-Q598 PolarHBondContact N-O 3.25Å; I584-I600 HydrophobicContact CD1-CD1 4.26Å; I584-L630 HydrophobicContact CD1-CD1 4.18Å
585	F	94.8	Very high	92.2	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.3	178.4	-66.3	-94	0	0	0	109.1	L539 F550 L568 V570 I592 L593	L539-F585 HydrophobicContact CB-CE1 4.41Å; L539-F585 HydrophobicContact CB-CZ 4.34Å; L539-F585 HydrophobicContact CD1-CD1 4.29Å; L539-F585 HydrophobicContact CD1-CD2 4.26Å; L539-F585 HydrophobicContact CD1-CE1 4.35Å; L539-F585 HydrophobicContact CD1-CE2 4.33Å; L539-F585 HydrophobicContact CD1-CG 4.23Å; L539-F585 HydrophobicContact CD1-CZ 4.37Å; L539-F585 HydrophobicContact CD2-CD1 4.05Å; L539-F585 HydrophobicContact CD2-CE1 4.03Å; L539-F585 HydrophobicContact CG-CE1 4.5Å; F550-F585 AromaticContact CE2-CE2 3.97Å; F550-F585 HydrophobicContact CE2-CE2 3.97Å; F550-F585 HydrophobicContact CE2-CZ 4.14Å; F550-F585 AromaticContact CZ-CE2 3.71Å; F550-F585 HydrophobicContact CZ-CE2 3.71Å; F550-F585 AromaticContact CZ-CZ 3.7Å; F550-F585 HydrophobicContact CZ-CZ 3.7Å; L568-F585 HydrophobicContact CB-CB 4.35Å; L568-F585 PolarHBondContact N-O 2.91Å; L568-F585 PolarHBondContact O-N 2.67Å; V570-F585 HydrophobicContact CB-CE2 4.18Å; V570-F585 HydrophobicContact CG2-CD2 3.93Å; V570-F585 HydrophobicContact CG2-CE2 3.87Å; F585-I592 HydrophobicContact CB-CG2 4.03Å; F585-L593 WeakPolarHBondContact CD1-O 3.08Å
586	F	92.8	Very high	92.1	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.053	25%	0.246	C	C	.	.			trans	-88	152.6	176	-70.3	-9.6	0	0	0	112.8	F23 L560 N561 D567 I584 L593 K597	F23-F586 HydrophobicContact CD1-CE1 4.32Å; F23-F586 AromaticContact CD1-CE2 3.43Å; F23-F586 HydrophobicContact CD1-CE2 3.43Å; F23-F586 VanDerWaalsContact CD1-CE2 3.43Å; F23-F586 AromaticContact CD1-CZ 3.11Å; F23-F586 HydrophobicContact CD1-CZ 3.11Å; F23-F586 HydrophobicContact CE1-CE1 4.48Å; F23-F586 AromaticContact CE1-CE2 3.5Å; F23-F586 HydrophobicContact CE1-CE2 3.5Å; F23-F586 VanDerWaalsContact CE1-CE2 3.5Å; F23-F586 AromaticContact CE1-CZ 3.25Å; F23-F586 HydrophobicContact CE1-CZ 3.25Å; F23-F586 AromaticContact CG-CE2 3.97Å; F23-F586 HydrophobicContact CG-CE2 3.97Å; F23-F586 HydrophobicContact CG-CZ 4.03Å; F23-F586 HydrophobicContact CZ-CE2 4.1Å; F23-F586 HydrophobicContact CZ-CZ 4.26Å; L560-F586 HydrophobicContact CB-CE1 4.31Å; N561-F586 HydrophobicContact CB-CD2 4.25Å; N561-F586 HydrophobicContact CB-CE1 4.39Å; N561-F586 HydrophobicContact CB-CE2 3.59Å; N561-F586 HydrophobicContact CB-CZ 3.65Å; N561-F586 WeakPolarHBondContact ND2-CD2 3.36Å; N561-F586 WeakPolarHBondContact ND2-CE2 2.95Å; D567-F586 HydrophobicContact CB-CD1 4.15Å; D567-F586 VanDerWaalsContact CG-CD1 3.41Å; D567-F586 VanDerWaalsContact OD1-CA 3.22Å; D567-F586 WeakPolarHBondContact OD1-CA 2.77Å; D567-F586 VanDerWaalsContact OD1-CD1 3.29Å; D567-F586 WeakPolarHBondContact OD1-CD1 3.38Å; D567-F586 WeakPolarHBondContact OD2-CD1 3.3Å; D567-F586 WeakPolarHBondContact OD2-CE1 3.31Å; I584-F586 HydrophobicContact CG2-CD1 4.09Å; I584-F586 HydrophobicContact CG2-CE1 3.68Å; F586-L593 HydrophobicContact CB-CD1 4.16Å; F586-L593 VanDerWaalsContact O-CB 3.23Å; F586-L593 WeakPolarHBondContact O-CB 3.46Å; F586-L593 VanDerWaalsContact O-CG 3.28Å; F586-L593 WeakPolarHBondContact O-CG 3.27Å; F586-L593 PolarHBondContact O-N 2.81Å; F586-K597 HydrophobicContact CB-CG 4.15Å; F586-K597 HydrophobicContact CD2-CB 4.07Å; F586-K597 HydrophobicContact CD2-CD 4.37Å; F586-K597 HydrophobicContact CD2-CG 3.57Å; F586-K597 HydrophobicContact CE2-CB 4.16Å; F586-K597 HydrophobicContact CE2-CG 4.12Å; F586-K597 HydrophobicContact CG-CB 4.27Å; F586-K597 HydrophobicContact CG-CG 3.82Å; F586-K597 HydrophobicContact CZ-CB 4.49Å
587	S	92.9	Very high	92.1	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-98.5	150.6	170.3	-64.3	0	0	0	0	110.7	N566 D567 R591	N566-S587 WeakPolarHBondContact O-CB 3.36Å; N566-S587 PolarHBondContact O-OG 3.11Å; D567-S587 PolarHBondContact OD1-N 2.95Å; S587-R591 CarbonylContact C-O 3.56Å; S587-R591 VanDerWaalsContact CA-O 3.26Å; S587-R591 WeakPolarHBondContact CA-O 3.38Å
588	H	86.9	Confident	92.1	Very high	98 Å²	98	49.1 Å²	49.1	45%	0.454	22%	0.215	S	C	.	.			trans	-155.1	127.3	176.2	-178	-110.4	0	0	0	109.9	N590 R591 L593	H588-N590 PolarHBondContact O-N 2.77Å; H588-R591 PolarHBondContact N-O 3.06Å; H588-R591 PolarHBondContact O-N 3.43Å; H588-L593 HydrophobicContact CB-CD1 4.48Å; H588-L593 HydrophobicContact CB-CD2 4.07Å; H588-L593 HydrophobicContact CB-CG 4.3Å
589	H	85.8	Confident	92.1	Very high	139 Å²	139	48.4 Å²	48.4	64%	0.644	21%	0.209	S	C	*	.	S	Bend	trans	53.8	49.6	-176.7	-65.6	66.1	0	0	0	112.9	R591	H589-R591 VanDerWaalsContact C-N 3.32Å; H589-R591 PolarHBondContact O-N 3.14Å
590	N	84	Confident	92.1	Very high	27 Å²	27	44.1 Å²	44.1	14%	0.144	19%	0.19	C	C	.	.	S	Bend	trans	54	45	-178.7	-164	-7.3	0	0	0	113.2	I496 D497 D503 H588	I496-N590 WeakPolarHBondContact CB-OD1 3.36Å; D497-N590 PolarHBondContact OD2-ND2 3.01Å; D503-N590 PolarHBondContact OD1-ND2 2.87Å; D503-N590 PolarHBondContact OD1-OD1 2.82Å; D503-N590 PolarHBondContact OD2-OD1 2.85Å; H588-N590 PolarHBondContact O-N 2.77Å
591	R	91.1	Very high	92	Very high	146 Å²	146	44.1 Å²	44.1	55%	0.551	19%	0.19	S	C	*	.	S	Bend	trans	-151.1	141.1	173.6	-70.3	-169.8	169.4	156.3	8.9	111.5	E536 S587 H588 H589	E536-R591 IonicContact OE1-CZ 2.73Å; E536-R591 IonicContact OE1-NE 3.61Å; E536-R591 PolarHBondContact OE1-NE 3.02Å; E536-R591 VanDerWaalsContact OE1-NE 3.11Å; S587-R591 CarbonylContact C-O 3.56Å; S587-R591 VanDerWaalsContact CA-O 3.26Å; S587-R591 WeakPolarHBondContact CA-O 3.38Å; H588-R591 PolarHBondContact N-O 3.06Å; H588-R591 PolarHBondContact O-N 3.43Å; H589-R591 VanDerWaalsContact C-N 3.32Å; H589-R591 PolarHBondContact O-N 3.14Å
592	I	94.1	Very high	92	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.051	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-77.2	126.1	173	-59.5	162.6	0	0	0	110	I496 L506 I524 L539 L568 F585	I496-I592 HydrophobicContact CD1-CD1 4.43Å; I496-I592 HydrophobicContact CD1-CG1 3.88Å; L506-I592 HydrophobicContact CD1-CD1 4.31Å; L506-I592 HydrophobicContact CD2-CD1 3.89Å; I524-I592 HydrophobicContact CD1-CB 4.08Å; I524-I592 HydrophobicContact CD1-CD1 4.12Å; I524-I592 HydrophobicContact CD1-CG2 4.36Å; L539-I592 HydrophobicContact CD1-CG2 4.37Å; L539-I592 HydrophobicContact CD2-CG2 4.26Å; L568-I592 HydrophobicContact CD2-CD1 4.46Å; F585-I592 HydrophobicContact CB-CG2 4.03Å
593	L	92.3	Very high	91.7	Very high	63 Å²	63	47.4 Å²	47.4	33%	0.33	21%	0.21	S	C	.	.			trans	-66.5	138.6	175.1	-62.9	179.6	0	0	0	110.7	F585 F586 H588	F585-L593 WeakPolarHBondContact CD1-O 3.08Å; F586-L593 HydrophobicContact CB-CD1 4.16Å; F586-L593 VanDerWaalsContact O-CB 3.23Å; F586-L593 WeakPolarHBondContact O-CB 3.46Å; F586-L593 VanDerWaalsContact O-CG 3.28Å; F586-L593 WeakPolarHBondContact O-CG 3.27Å; F586-L593 PolarHBondContact O-N 2.81Å; H588-L593 HydrophobicContact CB-CD1 4.48Å; H588-L593 HydrophobicContact CB-CD2 4.07Å; H588-L593 HydrophobicContact CB-CG 4.3Å
594	R	91.3	Very high	91.5	Very high	93 Å²	93	52.4 Å²	52.4	35%	0.351	24%	0.237	S	C	.	.	S	Bend	trans	-75.9	-25.2	-175.9	-58.8	-63	178.5	-170.3	-13.1	113.8	I524 E536 A538	I524-R594 VanDerWaalsContact CG1-NH1 3.35Å; E536-R594 VanDerWaalsContact C-NH2 3.27Å; E536-R594 PolarHBondContact O-NH2 3.08Å; A538-R594 WeakPolarHBondContact O-CD 3.3Å; A538-R594 PolarHBondContact O-NH1 2.96Å
595	K	89.9	Confident	91.4	Very high	145 Å²	145	53.3 Å²	53.3	63%	0.63	24%	0.242	S	C	*	.	S	Bend	trans	-95.1	126.9	177.3	-169.8	-174.1	173.1	-167.5	0	108.1
596	Y	91.3	Very high	91.2	Very high	51 Å²	51	54.2 Å²	54.2	20%	0.2	25%	0.25	C	C	.	.			trans	-62.7	148.1	171.4	63.9	-96.6	0	0	0	110.2	Y583 I584 R599	Y583-Y596 AromaticContact CD1-CD1 3.6Å; Y583-Y596 HydrophobicContact CD1-CD1 3.6Å; Y583-Y596 HydrophobicContact CD1-CD2 4.05Å; Y583-Y596 AromaticContact CD1-CE1 3.97Å; Y583-Y596 HydrophobicContact CD1-CE1 3.97Å; Y583-Y596 HydrophobicContact CD1-CE2 4.4Å; Y583-Y596 AromaticContact CD1-CG 3.64Å; Y583-Y596 HydrophobicContact CD1-CG 3.64Å; Y583-Y596 AromaticContact CE1-CD1 3.86Å; Y583-Y596 HydrophobicContact CE1-CD1 3.86Å; Y583-Y596 AromaticContact CE1-CE1 3.74Å; Y583-Y596 HydrophobicContact CE1-CE1 3.74Å; Y583-Y596 HydrophobicContact CE1-CE2 4.44Å; Y583-Y596 HydrophobicContact CE1-CG 4.26Å; I584-Y596 CarbonylContact O-C 3.11Å; I584-Y596 VanDerWaalsContact O-CA 3.3Å; I584-Y596 WeakPolarHBondContact O-CA 3.38Å; I584-Y596 WeakPolarHBondContact O-CB 3.32Å; Y596-R599 HydrophobicContact CD2-CB 4.14Å; Y596-R599 HydrophobicContact CE2-CB 3.77Å
597	K	90.1	Very high	91	Very high	66 Å²	66	60 Å²	60	29%	0.287	29%	0.288	S	S	.	.	S	Bend	trans	-95	-28.2	178.6	-75.6	-67.6	-161.7	170.4	0	113	I584 F586 D772	I584-K597 PolarHBondContact O-N 2.81Å; F586-K597 HydrophobicContact CB-CG 4.15Å; F586-K597 HydrophobicContact CD2-CB 4.07Å; F586-K597 HydrophobicContact CD2-CD 4.37Å; F586-K597 HydrophobicContact CD2-CG 3.57Å; F586-K597 HydrophobicContact CE2-CB 4.16Å; F586-K597 HydrophobicContact CE2-CG 4.12Å; F586-K597 HydrophobicContact CG-CB 4.27Å; F586-K597 HydrophobicContact CG-CG 3.82Å; F586-K597 HydrophobicContact CZ-CB 4.49Å; K597-D772 IonicContact NZ-OD2 2.82Å; K597-D772 PolarHBondContact NZ-OD2 2.82Å
598	Q	91.1	Very high	90.8	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.019	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139.3	173.9	-167.6	-179.4	13	0	0	109.7	F23 I25 I584 I600	F23-Q598 PolarHBondContact O-NE2 2.74Å; F23-Q598 PolarHBondContact O-OE1 2.84Å; I25-Q598 PolarHBondContact O-NE2 3.34Å; I584-Q598 HydrophobicContact CB-CB 4.3Å; I584-Q598 HydrophobicContact CD1-CB 4.21Å; I584-Q598 HydrophobicContact CG1-CB 4.39Å; I584-Q598 PolarHBondContact N-O 3.25Å; Q598-I600 HydrophobicContact CG-CD1 4.47Å; Q598-I600 HydrophobicContact CG-CG1 3.98Å
599	R	93.3	Very high	91.2	Very high	68 Å²	68	58.5 Å²	58.5	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.7	166.9	177.4	-175.4	177.4	-86.2	2.2	107.4	E575 D576 I582 Y583 Y596	E575-R599 VanDerWaalsContact CD-NH2 3.27Å; E575-R599 IonicContact OE1-CZ 2.6Å; E575-R599 IonicContact OE1-NE 2.83Å; E575-R599 PolarHBondContact OE1-NE 2.94Å; E575-R599 VanDerWaalsContact OE1-NE 3.1Å; E575-R599 IonicContact OE1-NH2 2.68Å; E575-R599 PolarHBondContact OE1-NH2 2.83Å; E575-R599 IonicContact OE2-NH2 3.18Å; D576-R599 VanDerWaalsContact CG-NH2 3.29Å; D576-R599 IonicContact OD1-NH2 2.72Å; D576-R599 PolarHBondContact OD1-NH2 3.06Å; D576-R599 IonicContact OD2-CZ 2.79Å; D576-R599 IonicContact OD2-NH1 3.01Å; D576-R599 IonicContact OD2-NH2 2.78Å; D576-R599 PolarHBondContact OD2-NH2 2.99Å; I582-R599 WeakPolarHBondContact O-CA 3.4Å; Y583-R599 HydrophobicContact CD1-CB 3.98Å; Y583-R599 HydrophobicContact CD1-CG 3.99Å; Y583-R599 HydrophobicContact CE1-CB 3.91Å; Y583-R599 HydrophobicContact CE1-CG 3.58Å; Y583-R599 PolarHBondContact OH-NE 3.08Å; Y596-R599 HydrophobicContact CD2-CB 4.14Å; Y596-R599 HydrophobicContact CE2-CB 3.77Å
600	I	94.3	Very high	91.7	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	108	178.6	-55.1	175.8	0	0	0	107.6	I25 T27 A581 I582 I584 Q598 L605 F612 L641	I25-I600 HydrophobicContact CB-CD1 3.9Å; I25-I600 HydrophobicContact CG2-CD1 3.65Å; T27-I600 HydrophobicContact CG2-CB 4.46Å; T27-I600 HydrophobicContact CG2-CD1 4.04Å; T27-I600 HydrophobicContact CG2-CG1 3.94Å; T27-I600 HydrophobicContact CG2-CG2 3.83Å; A581-I600 CarbonylContact C-O 3.33Å; A581-I600 VanDerWaalsContact CA-O 3.3Å; A581-I600 WeakPolarHBondContact CA-O 3.2Å; I582-I600 HydrophobicContact CD1-CB 4.38Å; I582-I600 HydrophobicContact CD1-CD1 4.17Å; I582-I600 HydrophobicContact CG1-CB 3.79Å; I582-I600 HydrophobicContact CG1-CD1 4.42Å; I582-I600 HydrophobicContact CG1-CG1 4.41Å; I582-I600 PolarHBondContact N-O 2.81Å; I582-I600 PolarHBondContact O-N 2.91Å; I584-I600 HydrophobicContact CD1-CD1 4.26Å; Q598-I600 HydrophobicContact CG-CD1 4.47Å; Q598-I600 HydrophobicContact CG-CG1 3.98Å; I600-L605 HydrophobicContact CG2-CD1 3.84Å; I600-L605 HydrophobicContact CG2-CD2 3.92Å; I600-L605 HydrophobicContact CG2-CG 3.98Å; I600-F612 HydrophobicContact CG2-CE1 4.42Å; I600-L641 HydrophobicContact CD1-CD1 3.94Å; I600-L641 HydrophobicContact CG2-CD1 4.44Å
601	A	93.4	Very high	92.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	147	174.2	0	0	0	0	0	111.2	D576 V603 D604	D576-A601 WeakPolarHBondContact OD2-CB 3.2Å; A601-V603 HydrophobicContact CB-CG2 3.97Å; A601-V603 PolarHBondContact O-N 3.46Å; A601-V603 VanDerWaalsContact O-N 3.15Å; A601-D604 PolarHBondContact O-N 2.81Å
602	A	94.8	Very high	92.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-32.8	175.5	0	0	0	0	0	113	K579 G580 D604 L605 A606 L609 F612	K579-A602 HydrophobicContact CB-CB 4.29Å; K579-A602 WeakPolarHBondContact O-CB 3.41Å; G580-A602 VanDerWaalsContact O-CB 3.28Å; G580-A602 WeakPolarHBondContact O-CB 3.2Å; G580-A602 PolarHBondContact O-N 3.12Å; A602-D604 VanDerWaalsContact C-N 3.26Å; A602-D604 PolarHBondContact O-N 3.2Å; A602-L605 PolarHBondContact O-N 3.29Å; A602-A606 PolarHBondContact O-N 3.35Å; A602-A606 VanDerWaalsContact O-N 3.17Å; A602-L609 HydrophobicContact CB-CB 3.86Å; A602-L609 HydrophobicContact CB-CD1 4.35Å; A602-F612 HydrophobicContact CB-CB 3.59Å; A602-F612 HydrophobicContact CB-CD1 4.11Å; A602-F612 HydrophobicContact CB-CG 3.92Å
603	V	91.1	Very high	92.8	Very high	68 Å²	68	50.9 Å²	50.9	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-65.9	-29.9	-176.8	-49.8	0	0	0	0	113	K579 A601 L605	K579-V603 HydrophobicContact CB-CG1 4.32Å; K579-V603 HydrophobicContact CD-CG1 3.33Å; K579-V603 HydrophobicContact CG-CG1 4.45Å; A601-V603 HydrophobicContact CB-CG2 3.97Å; A601-V603 PolarHBondContact O-N 3.46Å; A601-V603 VanDerWaalsContact O-N 3.15Å; V603-L605 VanDerWaalsContact C-N 3.34Å
604	D	90.9	Very high	93	Very high	105 Å²	105	49.7 Å²	49.7	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-80.2	-21.7	-179	-57.6	-37.2	0	0	0	111.3	A601 A602	A601-D604 PolarHBondContact O-N 2.81Å; A602-D604 VanDerWaalsContact C-N 3.26Å; A602-D604 PolarHBondContact O-N 3.2Å
605	L	93	Very high	93.3	Very high	20 Å²	20	45.9 Å²	45.9	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-88.8	-53.8	-178.2	-60.3	176.7	0	0	0	112.3	T27 P30 I600 A602 V603 L609 F612 V639 L641	T27-L605 HydrophobicContact CG2-CD2 4.16Å; T27-L605 WeakPolarHBondContact O-CD2 3.28Å; P30-L605 HydrophobicContact CB-CD2 4.3Å; P30-L605 HydrophobicContact CG-CB 4.39Å; P30-L605 HydrophobicContact CG-CD2 4.2Å; I600-L605 HydrophobicContact CG2-CD1 3.84Å; I600-L605 HydrophobicContact CG2-CD2 3.92Å; I600-L605 HydrophobicContact CG2-CG 3.98Å; A602-L605 PolarHBondContact O-N 3.29Å; V603-L605 VanDerWaalsContact C-N 3.34Å; L605-L609 HydrophobicContact CB-CD1 4.21Å; L605-F612 HydrophobicContact CD1-CE1 4.02Å; L605-F612 HydrophobicContact CD1-CE2 3.69Å; L605-F612 HydrophobicContact CD1-CZ 3.4Å; L605-F612 VanDerWaalsContact CD1-CZ 3.4Å; L605-V639 HydrophobicContact CD1-CG1 4.3Å; L605-L641 HydrophobicContact CD1-CD2 3.98Å; L605-L641 HydrophobicContact CD2-CD2 3.82Å
606	A	91.3	Very high	93.7	Very high	21 Å²	21	39.8 Å²	39.8	17%	0.174	22%	0.216	C	C	.	.			trans	-162.9	145	178.5	0	0	0	0	0	112.7	I32 A602 L609	I32-A606 HydrophobicContact CD1-CB 3.32Å; A602-A606 PolarHBondContact O-N 3.35Å; A602-A606 VanDerWaalsContact O-N 3.17Å; A606-L609 HydrophobicContact CB-CD1 4.24Å; A606-L609 HydrophobicContact CB-CG 4.37Å
607	P	88.8	Confident	94	Very high	133 Å²	133	38.6 Å²	38.6	86%	0.864	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	139.5	173	28.1	-34.2	0	0	0	111.4
608	G	88.7	Confident	94.2	Very high	53 Å²	53	35.5 Å²	35.5	55%	0.546	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	3	171.5	0	0	0	0	0	116.3	K37	K37-G608 PolarHBondContact NZ-O 3.49Å
609	L	95	Very high	94.2	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.073	22%	0.22	C	C	.	.			trans	-67.8	140.5	164	-68.2	179.1	0	0	0	110.3	A602 L605 A606 F612 A637 V639	A602-L609 HydrophobicContact CB-CB 3.86Å; A602-L609 HydrophobicContact CB-CD1 4.35Å; L605-L609 HydrophobicContact CB-CD1 4.21Å; A606-L609 HydrophobicContact CB-CD1 4.24Å; A606-L609 HydrophobicContact CB-CG 4.37Å; L609-F612 HydrophobicContact CD1-CD2 4.39Å; L609-A637 HydrophobicContact CD2-CB 3.77Å; L609-V639 HydrophobicContact CD1-CG2 4.19Å; L609-V639 HydrophobicContact CD2-CG2 4.24Å
610	Q	95.8	Very high	94.1	Very high	82 Å²	82	38.1 Å²	38.1	38%	0.383	22%	0.217	S	C	.	.			trans	-141.6	148.9	179.4	-74.2	179.4	-19.1	0	0	109.7	H578 K579 F612 S634 L635	H578-Q610 WeakPolarHBondContact O-CA 3.44Å; K579-Q610 CarbonylContact O-C 3.5Å; K579-Q610 WeakPolarHBondContact O-CA 3.23Å; Q610-F612 PolarHBondContact O-N 2.83Å; Q610-F612 VanDerWaalsContact O-N 3.1Å; Q610-S634 PolarHBondContact N-OG 2.79Å; Q610-S634 PolarHBondContact O-OG 3.49Å; Q610-L635 HydrophobicContact CB-CB 4.2Å; Q610-L635 HydrophobicContact CB-CD2 4.49Å; Q610-L635 PolarHBondContact O-N 2.77Å
611	Y	96.9	Very high	94.1	Very high	80 Å²	80	39.5 Å²	39.5	31%	0.314	22%	0.224	S	C	.	.	S	Bend	trans	51.1	32.3	-175.7	-51.3	-35.9	0	0	0	113.6	P573 L574 H578 K579 G613 R614 L635	P573-Y611 WeakPolarHBondContact O-CA 3.43Å; L574-Y611 HydrophobicContact CD2-CD1 3.53Å; L574-Y611 HydrophobicContact CD2-CE1 3.44Å; L574-Y611 VanDerWaalsContact CD2-CE1 3.44Å; H578-Y611 HydrophobicContact CB-CD1 4.25Å; H578-Y611 HydrophobicContact CB-CE1 3.66Å; H578-Y611 AromaticContact CD2-CE1 3.75Å; H578-Y611 WeakPolarHBondContact O-CD1 3.39Å; H578-Y611 PolarHBondContact O-N 3.32Å; K579-Y611 PolarHBondContact O-N 2.8Å; Y611-G613 PolarHBondContact O-N 3.42Å; Y611-R614 WeakPolarHBondContact O-CB 3.23Å; Y611-R614 WeakPolarHBondContact O-CG 3.19Å; Y611-R614 PolarHBondContact O-N 3Å; Y611-L635 HydrophobicContact CD2-CB 3.97Å; Y611-L635 HydrophobicContact CD2-CD2 4.04Å; Y611-L635 HydrophobicContact CD2-CG 4.46Å; Y611-L635 HydrophobicContact CE2-CD2 4.01Å
612	F	97.9	Very high	93.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	130.5	176.8	176.8	-101.1	0	0	0	109.9	P573 K579 G580 A581 I582 I600 A602 L605 L609 Q610 V632 V639 L641	P573-F612 WeakPolarHBondContact CA-O 3.19Å; K579-F612 VanDerWaalsContact O-CB 3.31Å; K579-F612 WeakPolarHBondContact O-CB 3.24Å; K579-F612 PolarHBondContact O-N 3.31Å; G580-F612 CarbonylContact C-O 3.38Å; G580-F612 WeakPolarHBondContact CA-O 3.5Å; A581-F612 PolarHBondContact N-O 3.49Å; I582-F612 HydrophobicContact CB-CE1 4.47Å; I582-F612 HydrophobicContact CD1-CZ 4.49Å; I582-F612 HydrophobicContact CG1-CE1 4Å; I582-F612 HydrophobicContact CG1-CZ 4.47Å; I582-F612 HydrophobicContact CG2-CD1 4.33Å; I582-F612 HydrophobicContact CG2-CE1 3.91Å; I600-F612 HydrophobicContact CG2-CE1 4.42Å; A602-F612 HydrophobicContact CB-CB 3.59Å; A602-F612 HydrophobicContact CB-CD1 4.11Å; A602-F612 HydrophobicContact CB-CG 3.92Å; L605-F612 HydrophobicContact CD1-CE1 4.02Å; L605-F612 HydrophobicContact CD1-CE2 3.69Å; L605-F612 HydrophobicContact CD1-CZ 3.4Å; L605-F612 VanDerWaalsContact CD1-CZ 3.4Å; L609-F612 HydrophobicContact CD1-CD2 4.39Å; Q610-F612 PolarHBondContact O-N 2.83Å; Q610-F612 VanDerWaalsContact O-N 3.1Å; F612-V632 HydrophobicContact CD1-CG1 4.4Å; F612-V632 HydrophobicContact CD2-CB 4.31Å; F612-V632 HydrophobicContact CD2-CG1 3.69Å; F612-V632 HydrophobicContact CE1-CG1 4.14Å; F612-V632 HydrophobicContact CE2-CB 3.6Å; F612-V632 HydrophobicContact CE2-CG1 3.37Å; F612-V632 HydrophobicContact CE2-CG2 4.23Å; F612-V632 HydrophobicContact CG-CG1 4.2Å; F612-V632 HydrophobicContact CZ-CB 3.91Å; F612-V632 HydrophobicContact CZ-CG1 3.61Å; F612-V632 HydrophobicContact CZ-CG2 4.05Å; F612-V639 HydrophobicContact CD2-CG2 4.19Å; F612-V639 HydrophobicContact CE2-CB 3.95Å; F612-V639 HydrophobicContact CE2-CG1 4.25Å; F612-V639 HydrophobicContact CE2-CG2 3.93Å; F612-L641 HydrophobicContact CZ-CD1 4.36Å
613	G	97.1	Very high	93.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	18.3	-173.1	0	0	0	0	0	113.6	S553 G571 Y611 S615 V632 G633	S553-G613 PolarHBondContact OG-O 3.16Å; G571-G613 WeakPolarHBondContact CA-O 3.49Å; Y611-G613 PolarHBondContact O-N 3.42Å; G613-S615 VanDerWaalsContact C-N 3.31Å; G613-V632 VanDerWaalsContact N-CG1 3.33Å; G613-G633 PolarHBondContact N-O 3.18Å; G613-G633 VanDerWaalsContact N-O 3.08Å
614	R	96.9	Very high	93.6	Very high	38 Å²	38	45.3 Å²	45.3	14%	0.143	25%	0.253	C	S	.	.	S	Bend	trans	-75.5	-19.9	172.6	68.4	177.2	179.5	164.6	-6.2	114	Q40 F41 G42 Y43 P573 Y611 S634	Q40-R614 PolarHBondContact O-NH2 3.05Å; F41-R614 PolarHBondContact O-NH2 2.8Å; G42-R614 VanDerWaalsContact C-CZ 3.44Å; G42-R614 VanDerWaalsContact O-CZ 3.27Å; G42-R614 PolarHBondContact O-NE 2.91Å; G42-R614 PolarHBondContact O-NH2 3.02Å; G42-R614 VanDerWaalsContact O-NH2 3.13Å; Y43-R614 VanDerWaalsContact CA-NH2 3.32Å; P573-R614 HydrophobicContact CB-CB 3.97Å; P573-R614 HydrophobicContact CG-CB 4.38Å; Y611-R614 WeakPolarHBondContact O-CB 3.23Å; Y611-R614 WeakPolarHBondContact O-CG 3.19Å; Y611-R614 PolarHBondContact O-N 3Å; R614-S634 PolarHBondContact NH2-O 2.7Å
615	S	97.9	Very high	93.4	Very high	13 Å²	13	43.3 Å²	43.3	9%	0.091	24%	0.242	C	C	.	.	S	Bend	trans	-154.3	135.9	175.7	57.3	0	0	0	0	107.8	G42 Y43 I45 G613 G633	G42-S615 PolarHBondContact O-OG 3.43Å; Y43-S615 WeakPolarHBondContact O-CB 3.49Å; Y43-S615 PolarHBondContact O-OG 3.3Å; I45-S615 WeakPolarHBondContact CD1-O 3.46Å; I45-S615 WeakPolarHBondContact CG1-OG 3.3Å; G613-S615 VanDerWaalsContact C-N 3.31Å; S615-G633 PolarHBondContact O-N 3.37Å
616	I	98	Very high	93.2	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.087	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.7	-173.3	-55.7	171.9	0	0	0	108.4	S553 A555 V569 I582 A631 V632	S553-I616 WeakPolarHBondContact OG-CD1 3.36Å; S553-I616 WeakPolarHBondContact OG-CG1 3.19Å; A555-I616 HydrophobicContact CB-CB 3.86Å; A555-I616 HydrophobicContact CB-CG2 3.58Å; V569-I616 HydrophobicContact CB-CG2 4.32Å; V569-I616 HydrophobicContact CG1-CD1 3.98Å; V569-I616 HydrophobicContact CG1-CG2 4.09Å; I582-I616 HydrophobicContact CB-CD1 4.26Å; I582-I616 HydrophobicContact CG2-CD1 3.56Å; I582-I616 HydrophobicContact CG2-CG1 4.28Å; I616-A631 WeakPolarHBondContact CA-O 3.46Å; I616-V632 HydrophobicContact CG1-CG1 4.32Å
617	H	97.1	Very high	93.2	Very high	26 Å²	26	44.5 Å²	44.5	12%	0.12	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	136.4	172.3	-169.7	-91.6	0	0	0	110.1	Q46 Q47 A631	Q46-H617 PolarHBondContact OE1-CD2 3.17Å; Q46-H617 PolarHBondContact OE1-NE2 3.39Å; Q47-H617 WeakPolarHBondContact CB-ND1 3.31Å; Q47-H617 WeakPolarHBondContact CG-ND1 3.44Å; Q47-H617 PolarHBondContact N-ND1 2.86Å; Q47-H617 PolarHBondContact OE1-ND1 3.48Å; H617-A631 PolarHBondContact N-O 2.77Å; H617-A631 PolarHBondContact O-N 3.23Å
618	G	94.6	Very high	93.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	78	-176.4	0	0	0	0	0	112.3	V557 P558 D629	V557-G618 WeakPolarHBondContact CA-O 3.47Å; V557-G618 WeakPolarHBondContact CB-O 3.39Å; V557-G618 VanDerWaalsContact CG1-O 3.27Å; V557-G618 WeakPolarHBondContact CG1-O 3.08Å; P558-G618 WeakPolarHBondContact CD-O 3.37Å; G618-D629 VanDerWaalsContact CA-O 3.31Å; G618-D629 WeakPolarHBondContact CA-O 3.31Å
619	N	92.2	Very high	93.7	Very high	88 Å²	88	36.9 Å²	36.9	47%	0.471	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-3.4	-174.7	-63.8	19.7	0	0	0	112.7
620	M	91.3	Very high	93.8	Very high	40 Å²	40	36.2 Å²	36.2	20%	0.197	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.6	-178.4	68.3	-172	69.8	0	0	111.1	Q47 V49 M622 D629	Q47-M620 HydrophobicContact CB-CE 3.62Å; Q47-M620 HydrophobicContact CB-CG 3.89Å; Q47-M620 HydrophobicContact CB-SD 3.72Å; Q47-M620 HydrophobicContact CG-CG 4.48Å; V49-M620 HydrophobicContact CG2-CE 4.05Å; V49-M620 HydrophobicContact CG2-SD 3.81Å; M620-M622 HydrophobicContact CG-CG 4.04Å; M620-M622 HydrophobicContact CG-SD 3.48Å; M620-M622 WeakPolarHBondContact CG-SD 3.33Å; M620-M622 HydrophobicContact SD-SD 3.55Å; M620-D629 PolarHBondContact O-N 2.79Å; M620-D629 VanDerWaalsContact O-N 3.07Å
621	D	92.9	Very high	93.9	Very high	29 Å²	29	32.3 Å²	32.3	16%	0.155	18%	0.176	C	C	.	.			trans	-61.2	127.7	159.3	172.1	-10.9	0	0	0	108.7	K55 N623 D624 D625 G626 L627	K55-D621 WeakPolarHBondContact CD-O 3.41Å; K55-D621 WeakPolarHBondContact CE-O 3.43Å; K55-D621 PolarHBondContact NZ-O 3.38Å; K55-D621 IonicContact NZ-OD1 3.92Å; K55-D621 PolarHBondContact NZ-OD1 2.76Å; K55-D621 IonicContact NZ-OD2 3.95Å; D621-N623 PolarHBondContact OD1-N 2.9Å; D621-N623 PolarHBondContact OD1-OD1 3.36Å; D621-N623 VanDerWaalsContact OD1-OD1 3.04Å; D621-D624 VanDerWaalsContact OD1-CA 3.32Å; D621-D624 WeakPolarHBondContact OD1-CA 3.41Å; D621-D624 PolarHBondContact OD1-N 2.84Å; D621-D624 VanDerWaalsContact OD2-C 3.31Å; D621-D624 WeakPolarHBondContact OD2-CA 3.47Å; D621-D625 PolarHBondContact OD1-N 2.86Å; D621-D625 PolarHBondContact OD2-N 2.91Å; D621-D625 VanDerWaalsContact OD2-N 3.16Å; D621-G626 WeakPolarHBondContact OD2-CA 3.3Å; D621-G626 PolarHBondContact OD2-N 3.05Å; D621-L627 WeakPolarHBondContact CA-O 3.37Å; D621-L627 WeakPolarHBondContact CB-O 3.4Å
622	M	90.7	Very high	94	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.03	16%	0.162	C	C	.	.	S	Bend	trans	-108.4	-10.9	-178.1	-66.6	-71.2	-86.2	0	0	113.4	Q47 K55 L57 L79 M620 D629 L640 W642	Q47-M622 HydrophobicContact CB-CE 4.03Å; Q47-M622 HydrophobicContact CB-SD 3.91Å; Q47-M622 HydrophobicContact CG-CE 3.87Å; Q47-M622 HydrophobicContact CG-CG 4.34Å; Q47-M622 HydrophobicContact CG-SD 3.98Å; K55-M622 HydrophobicContact CB-SD 4.39Å; L57-M622 HydrophobicContact CB-CE 4.48Å; L57-M622 HydrophobicContact CD1-CE 4.45Å; L79-M622 HydrophobicContact CD1-CB 4.3Å; L79-M622 HydrophobicContact CD1-CE 3.2Å; L79-M622 HydrophobicContact CD1-SD 4.05Å; M620-M622 HydrophobicContact CG-CG 4.04Å; M620-M622 HydrophobicContact CG-SD 3.48Å; M620-M622 WeakPolarHBondContact CG-SD 3.33Å; M620-M622 HydrophobicContact SD-SD 3.55Å; M622-D629 WeakPolarHBondContact CA-OD2 3.06Å; M622-D629 HydrophobicContact CB-CB 3.95Å; M622-D629 VanDerWaalsContact CB-OD2 3.31Å; M622-D629 WeakPolarHBondContact CB-OD2 3.37Å; M622-D629 HydrophobicContact CG-CB 4.01Å; M622-D629 PolarHBondContact N-OD2 3.38Å; M622-L640 HydrophobicContact CE-CD2 4.14Å; M622-L640 HydrophobicContact CG-CD2 4.41Å; M622-W642 HydrophobicContact CB-CZ3 3.93Å
623	N	88.7	Confident	94	Very high	61 Å²	61	28.5 Å²	28.5	33%	0.326	16%	0.162	S	C	.	.	S	Bend	trans	-118.5	1.2	-177.5	68	3.4	0	0	0	114.7	D621 D625 D629 W642	D621-N623 PolarHBondContact OD1-N 2.9Å; D621-N623 PolarHBondContact OD1-OD1 3.36Å; D621-N623 VanDerWaalsContact OD1-OD1 3.04Å; N623-D625 PolarHBondContact ND2-OD2 2.91Å; N623-D625 WeakPolarHBondContact OD1-CB 3.17Å; N623-D625 PolarHBondContact OD1-N 2.83Å; N623-D625 PolarHBondContact OD1-OD1 2.89Å; N623-D625 VanDerWaalsContact OD1-OD1 3.07Å; N623-D625 PolarHBondContact OD1-OD2 2.72Å; N623-D629 PolarHBondContact N-OD2 2.74Å; N623-W642 HydrophobicContact CB-CE3 3.82Å; N623-W642 HydrophobicContact CB-CH2 4.3Å; N623-W642 HydrophobicContact CB-CZ3 3.65Å
624	D	89	Confident	94	Very high	126 Å²	126	28.5 Å²	28.5	67%	0.674	16%	0.162	S	C	*	.	S	Bend	trans	65.8	30.8	-177.5	-58.3	-57.2	0	0	0	114.6	K55 D621	K55-D624 WeakPolarHBondContact CE-OD1 3.02Å; K55-D624 IonicContact NZ-OD1 3.56Å; K55-D624 PolarHBondContact NZ-OD1 3.5Å; D621-D624 VanDerWaalsContact OD1-CA 3.32Å; D621-D624 WeakPolarHBondContact OD1-CA 3.41Å; D621-D624 PolarHBondContact OD1-N 2.84Å; D621-D624 VanDerWaalsContact OD2-C 3.31Å; D621-D624 WeakPolarHBondContact OD2-CA 3.47Å
625	D	87.1	Confident	94	Very high	63 Å²	63	28 Å²	28	34%	0.337	16%	0.162	S	C	.	.	S	Bend	trans	-93.3	-2.2	176.4	72.9	10	0	0	0	114.9	D621 N623 L627	D621-D625 PolarHBondContact OD1-N 2.86Å; D621-D625 PolarHBondContact OD2-N 2.91Å; D621-D625 VanDerWaalsContact OD2-N 3.16Å; N623-D625 PolarHBondContact ND2-OD2 2.91Å; N623-D625 WeakPolarHBondContact OD1-CB 3.17Å; N623-D625 PolarHBondContact OD1-N 2.83Å; N623-D625 PolarHBondContact OD1-OD1 2.89Å; N623-D625 VanDerWaalsContact OD1-OD1 3.07Å; N623-D625 PolarHBondContact OD1-OD2 2.72Å; D625-L627 WeakPolarHBondContact OD1-CA 3.18Å; D625-L627 VanDerWaalsContact OD1-CB 3.28Å; D625-L627 WeakPolarHBondContact OD1-CB 3.49Å; D625-L627 PolarHBondContact OD1-N 2.78Å
626	G	88.8	Confident	93.9	Very high	52 Å²	52	27.7 Å²	27.7	54%	0.536	16%	0.16	S	C	.	.	S	Bend	trans	85.9	5.7	-179.2	0	0	0	0	0	114.7	D621	D621-G626 WeakPolarHBondContact OD2-CA 3.3Å; D621-G626 PolarHBondContact OD2-N 3.05Å
627	L	92.2	Very high	93.8	Very high	13 Å²	13	27.1 Å²	27.1	7%	0.068	16%	0.158	C	C	.	.	S	Bend	trans	-112.9	148.7	177.7	-52.1	176.3	0	0	0	111	D621 D625 R644 T689 A690	D621-L627 WeakPolarHBondContact CA-O 3.37Å; D621-L627 WeakPolarHBondContact CB-O 3.4Å; D625-L627 WeakPolarHBondContact OD1-CA 3.18Å; D625-L627 VanDerWaalsContact OD1-CB 3.28Å; D625-L627 WeakPolarHBondContact OD1-CB 3.49Å; D625-L627 PolarHBondContact OD1-N 2.78Å; L627-R644 VanDerWaalsContact CD1-C 3.4Å; L627-T689 HydrophobicContact CD2-CG2 4.44Å; L627-A690 HydrophobicContact CD2-CB 4.19Å
628	V	93.7	Very high	93.7	Very high	26 Å²	26	25.9 Å²	25.9	16%	0.158	15%	0.152	C	C	.	.			trans	-75.3	132	178.1	172.3	0	0	0	0	110.1	P558 L560 S643	P558-V628 HydrophobicContact CB-CG2 3.8Å; P558-V628 HydrophobicContact CG-CG1 4.43Å; P558-V628 HydrophobicContact CG-CG2 4.02Å; L560-V628 HydrophobicContact CD2-CB 4.3Å; L560-V628 HydrophobicContact CD2-CG1 4.38Å; V628-S643 VanDerWaalsContact O-CB 3.28Å; V628-S643 WeakPolarHBondContact O-CB 3.27Å; V628-S643 PolarHBondContact O-OG 3.4Å
629	D	94.8	Very high	93.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	156.7	180	-67.8	-43.4	0	0	0	112.6	Q47 G618 M620 M622 N623 W642 S643	Q47-D629 PolarHBondContact NE2-O 2.84Å; G618-D629 VanDerWaalsContact CA-O 3.31Å; G618-D629 WeakPolarHBondContact CA-O 3.31Å; M620-D629 PolarHBondContact O-N 2.79Å; M620-D629 VanDerWaalsContact O-N 3.07Å; M622-D629 WeakPolarHBondContact CA-OD2 3.06Å; M622-D629 HydrophobicContact CB-CB 3.95Å; M622-D629 VanDerWaalsContact CB-OD2 3.31Å; M622-D629 WeakPolarHBondContact CB-OD2 3.37Å; M622-D629 HydrophobicContact CG-CB 4.01Å; M622-D629 PolarHBondContact N-OD2 3.38Å; N623-D629 PolarHBondContact N-OD2 2.74Å; D629-W642 HydrophobicContact CB-CE3 4.32Å; D629-W642 WeakPolarHBondContact OD1-CA 3.36Å; D629-W642 WeakPolarHBondContact OD2-CZ3 3.22Å; D629-S643 PolarHBondContact OD1-N 2.89Å; D629-S643 VanDerWaalsContact OD1-N 3.08Å
630	L	97.1	Very high	93.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.7	178.5	-57.2	-178.8	0	0	0	111.2	I25 V557 V569 I582 I584 L640 L641	I25-L630 HydrophobicContact CD1-CD1 4Å; I25-L630 HydrophobicContact CD1-CG 4.26Å; I25-L630 HydrophobicContact CG1-CD1 3.98Å; V557-L630 HydrophobicContact CG1-CD2 3.8Å; V569-L630 HydrophobicContact CG2-CD1 4.03Å; V569-L630 HydrophobicContact CG2-CD2 4.1Å; I582-L630 HydrophobicContact CD1-CD1 4.49Å; I584-L630 HydrophobicContact CD1-CD1 4.18Å; L630-L640 CarbonylContact O-C 3.57Å; L630-L640 WeakPolarHBondContact O-CA 3.29Å; L630-L641 HydrophobicContact CB-CB 4.31Å; L630-L641 PolarHBondContact N-O 2.94Å; L630-L641 PolarHBondContact O-N 3.21Å
631	A	97.2	Very high	94.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136	163.8	0	0	0	0	0	109.5	I45 Q47 L57 I616 H617 V639 L640	I45-A631 HydrophobicContact CD1-CB 3.59Å; I45-A631 WeakPolarHBondContact CD1-O 3.47Å; Q47-A631 HydrophobicContact CG-CB 3.96Å; L57-A631 HydrophobicContact CD1-CB 3.66Å; I616-A631 WeakPolarHBondContact CA-O 3.46Å; H617-A631 PolarHBondContact N-O 2.77Å; H617-A631 PolarHBondContact O-N 3.23Å; A631-V639 CarbonylContact C-O 3.48Å; A631-V639 WeakPolarHBondContact CA-O 3.43Å; A631-L640 HydrophobicContact CB-CD2 3.74Å
632	V	98.4	Very high	94.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126.8	-179.8	-171.5	0	0	0	0	110.8	I45 I582 F612 G613 I616 V639 L641	I45-V632 VanDerWaalsContact CD1-C 3.5Å; I45-V632 VanDerWaalsContact CD1-CA 3.43Å; I582-V632 HydrophobicContact CD1-CG2 3.92Å; I582-V632 HydrophobicContact CG2-CG1 4.03Å; F612-V632 HydrophobicContact CD1-CG1 4.4Å; F612-V632 HydrophobicContact CD2-CB 4.31Å; F612-V632 HydrophobicContact CD2-CG1 3.69Å; F612-V632 HydrophobicContact CE1-CG1 4.14Å; F612-V632 HydrophobicContact CE2-CB 3.6Å; F612-V632 HydrophobicContact CE2-CG1 3.37Å; F612-V632 HydrophobicContact CE2-CG2 4.23Å; F612-V632 HydrophobicContact CG-CG1 4.2Å; F612-V632 HydrophobicContact CZ-CB 3.91Å; F612-V632 HydrophobicContact CZ-CG1 3.61Å; F612-V632 HydrophobicContact CZ-CG2 4.05Å; G613-V632 VanDerWaalsContact N-CG1 3.33Å; I616-V632 HydrophobicContact CG1-CG1 4.32Å; V632-V639 PolarHBondContact N-O 2.97Å; V632-V639 PolarHBondContact O-N 3.27Å; V632-L641 HydrophobicContact CG2-CD1 4.1Å
633	G	97.9	Very high	94.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	144	175.7	0	0	0	0	0	112.3	G42 G613 S615	G42-G633 WeakPolarHBondContact O-CA 3.44Å; G613-G633 PolarHBondContact N-O 3.18Å; G613-G633 VanDerWaalsContact N-O 3.08Å; S615-G633 PolarHBondContact O-N 3.37Å
634	S	97.4	Very high	94.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	167.3	175.5	176	0	0	0	0	109.1	Q610 R614 G636 A637	Q610-S634 PolarHBondContact N-OG 2.79Å; Q610-S634 PolarHBondContact O-OG 3.49Å; R614-S634 PolarHBondContact NH2-O 2.7Å; S634-G636 PolarHBondContact O-N 2.98Å; S634-G636 VanDerWaalsContact O-N 3.13Å; S634-A637 CarbonylContact C-O 3.58Å; S634-A637 WeakPolarHBondContact CA-O 3.17Å; S634-A637 PolarHBondContact N-O 3.45Å; S634-A637 PolarHBondContact O-N 3Å
635	L	97.1	Very high	94.4	Very high	28 Å²	28	14.1 Å²	14.1	15%	0.147	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	106.5	176.4	-178.2	63.9	0	0	0	111.2	Q40 Q610 Y611 A637	Q40-L635 HydrophobicContact CB-CD1 4.35Å; Q40-L635 HydrophobicContact CG-CD1 4.16Å; Q610-L635 HydrophobicContact CB-CB 4.2Å; Q610-L635 HydrophobicContact CB-CD2 4.49Å; Q610-L635 PolarHBondContact O-N 2.77Å; Y611-L635 HydrophobicContact CD2-CB 3.97Å; Y611-L635 HydrophobicContact CD2-CD2 4.04Å; Y611-L635 HydrophobicContact CD2-CG 4.46Å; Y611-L635 HydrophobicContact CE2-CD2 4.01Å; L635-A637 VanDerWaalsContact C-N 3.33Å
636	G	95.3	Very high	94.7	Very high	6 Å²	6	11.1 Å²	11.1	6%	0.062	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	13.6	-178	0	0	0	0	0	113.9	G35 F41 S634	G35-G636 PolarHBondContact N-O 3.09Å; F41-G636 WeakPolarHBondContact O-CA 3.5Å; F41-G636 PolarHBondContact O-N 2.69Å; S634-G636 PolarHBondContact O-N 2.98Å; S634-G636 VanDerWaalsContact O-N 3.13Å
637	A	95.5	Very high	94.7	Very high	5 Å²	5	8.7 Å²	8.7	4%	0.041	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.3	176.5	0	0	0	0	0	112.1	I32 I33 L609 S634 L635	I32-A637 HydrophobicContact CG2-CB 4.23Å; I33-A637 CarbonylContact O-C 3.6Å; I33-A637 VanDerWaalsContact O-CA 3.26Å; I33-A637 WeakPolarHBondContact O-CA 3.44Å; L609-A637 HydrophobicContact CD2-CB 3.77Å; S634-A637 CarbonylContact C-O 3.58Å; S634-A637 WeakPolarHBondContact CA-O 3.17Å; S634-A637 PolarHBondContact N-O 3.45Å; S634-A637 PolarHBondContact O-N 3Å; L635-A637 VanDerWaalsContact C-N 3.33Å
638	A	95.6	Very high	94.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.5	163.1	0	0	0	0	0	107.8	I33 F41 I45 L57 V59	I33-A638 HydrophobicContact CB-CB 4.49Å; I33-A638 WeakPolarHBondContact CB-O 3.41Å; I33-A638 PolarHBondContact N-O 3.01Å; I33-A638 PolarHBondContact O-N 2.81Å; F41-A638 HydrophobicContact CE1-CB 4.15Å; I45-A638 HydrophobicContact CG2-CB 4.21Å; L57-A638 HydrophobicContact CD2-CB 3.75Å; V59-A638 HydrophobicContact CG2-CB 3.96Å
639	V	96	Very high	94.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.1	-174	-176.3	0	0	0	0	108.4	P30 I32 L605 L609 F612 A631 V632 L641	P30-V639 HydrophobicContact CB-CG1 4.1Å; I32-V639 HydrophobicContact CG1-CG1 4.21Å; I32-V639 HydrophobicContact CG1-CG2 4.26Å; I32-V639 HydrophobicContact CG2-CG2 4.41Å; L605-V639 HydrophobicContact CD1-CG1 4.3Å; L609-V639 HydrophobicContact CD1-CG2 4.19Å; L609-V639 HydrophobicContact CD2-CG2 4.24Å; F612-V639 HydrophobicContact CD2-CG2 4.19Å; F612-V639 HydrophobicContact CE2-CB 3.95Å; F612-V639 HydrophobicContact CE2-CG1 4.25Å; F612-V639 HydrophobicContact CE2-CG2 3.93Å; A631-V639 CarbonylContact C-O 3.48Å; A631-V639 WeakPolarHBondContact CA-O 3.43Å; V632-V639 PolarHBondContact N-O 2.97Å; V632-V639 PolarHBondContact O-N 3.27Å; V639-L641 HydrophobicContact CG1-CD2 3.83Å; V639-L641 HydrophobicContact CG1-CG 4.24Å
640	L	95.3	Very high	94.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.4	168.7	-74.2	162.1	0	0	0	108.6	R31 I33 L57 L79 M622 L630 A631 W642	R31-L640 HydrophobicContact CB-CB 4.16Å; R31-L640 PolarHBondContact N-O 2.81Å; R31-L640 PolarHBondContact O-N 3.18Å; I33-L640 HydrophobicContact CD1-CD1 4.24Å; L57-L640 HydrophobicContact CD2-CD1 4.43Å; L57-L640 HydrophobicContact CD2-CG 4.39Å; L79-L640 HydrophobicContact CD2-CD1 3.32Å; M622-L640 HydrophobicContact CE-CD2 4.14Å; M622-L640 HydrophobicContact CG-CD2 4.41Å; L630-L640 CarbonylContact O-C 3.57Å; L630-L640 WeakPolarHBondContact O-CA 3.29Å; A631-L640 HydrophobicContact CB-CD2 3.74Å; L640-W642 HydrophobicContact CB-CH2 4.15Å; L640-W642 HydrophobicContact CB-CZ2 4.27Å; L640-W642 HydrophobicContact CD1-CH2 4.28Å
641	L	95.6	Very high	94.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.6	176.4	-55.5	172.6	0	0	0	108.1	I25 P30 I582 I600 L605 F612 L630 V632 V639	I25-L641 HydrophobicContact CG2-CB 3.51Å; I25-L641 HydrophobicContact CG2-CD1 4.03Å; I25-L641 HydrophobicContact CG2-CG 4.32Å; P30-L641 HydrophobicContact CB-CD2 3.82Å; I582-L641 HydrophobicContact CD1-CD1 3.91Å; I600-L641 HydrophobicContact CD1-CD1 3.94Å; I600-L641 HydrophobicContact CG2-CD1 4.44Å; L605-L641 HydrophobicContact CD1-CD2 3.98Å; L605-L641 HydrophobicContact CD2-CD2 3.82Å; F612-L641 HydrophobicContact CZ-CD1 4.36Å; L630-L641 HydrophobicContact CB-CB 4.31Å; L630-L641 PolarHBondContact N-O 2.94Å; L630-L641 PolarHBondContact O-N 3.21Å; V632-L641 HydrophobicContact CG2-CD1 4.1Å; V639-L641 HydrophobicContact CG1-CD2 3.83Å; V639-L641 HydrophobicContact CG1-CG 4.24Å
642	W	93.3	Very high	93.7	Very high	43 Å²	43	18 Å²	18	16%	0.163	9%	0.086	C	C	.	.			trans	-91.1	137.2	-175.6	-47.7	114.9	0	0	0	110.2	D26 K29 R31 M622 N623 D629 L640	D26-W642 HydrophobicContact CB-CB 4.5Å; D26-W642 WeakPolarHBondContact CB-O 3.26Å; D26-W642 PolarHBondContact N-O 3.21Å; K29-W642 PolarHBondContact O-NE1 2.79Å; R31-W642 HydrophobicContact CB-CH2 4.49Å; R31-W642 HydrophobicContact CB-CZ2 3.53Å; R31-W642 HydrophobicContact CG-CZ2 4.32Å; M622-W642 HydrophobicContact CB-CZ3 3.93Å; N623-W642 HydrophobicContact CB-CE3 3.82Å; N623-W642 HydrophobicContact CB-CH2 4.3Å; N623-W642 HydrophobicContact CB-CZ3 3.65Å; D629-W642 HydrophobicContact CB-CE3 4.32Å; D629-W642 WeakPolarHBondContact OD1-CA 3.36Å; D629-W642 WeakPolarHBondContact OD2-CZ3 3.22Å; L640-W642 HydrophobicContact CB-CH2 4.15Å; L640-W642 HydrophobicContact CB-CZ2 4.27Å; L640-W642 HydrophobicContact CD1-CH2 4.28Å
643	S	93.1	Very high	93.4	Very high	6 Å²	6	19 Å²	19	4%	0.042	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-76	148.6	168.7	-75.4	0	0	0	0	110.8	N24 I25 V628 D629	N24-S643 CarbonylContact O-C 3.54Å; I25-S643 WeakPolarHBondContact CD1-OG 3.35Å; V628-S643 VanDerWaalsContact O-CB 3.28Å; V628-S643 WeakPolarHBondContact O-CB 3.27Å; V628-S643 PolarHBondContact O-OG 3.4Å; D629-S643 PolarHBondContact OD1-N 2.89Å; D629-S643 VanDerWaalsContact OD1-N 3.08Å
644	R	91.1	Very high	93	Very high	36 Å²	36	26.7 Å²	26.7	14%	0.136	12%	0.121	C	C	.	.			trans	-109	147.3	174.1	-62.6	175.7	64.1	-176.5	-2.6	109.1	N24 D26 L627 T764 E766 G767 P768 V769	N24-R644 HydrophobicContact CB-CB 4.45Å; N24-R644 WeakPolarHBondContact CB-O 3.37Å; N24-R644 PolarHBondContact ND2-O 2.81Å; N24-R644 WeakPolarHBondContact O-CA 3.27Å; N24-R644 VanDerWaalsContact O-CB 3.28Å; N24-R644 WeakPolarHBondContact O-CB 3.2Å; N24-R644 PolarHBondContact O-N 2.9Å; D26-R644 HydrophobicContact CB-CG 3.97Å; L627-R644 VanDerWaalsContact CD1-C 3.4Å; R644-T764 PolarHBondContact NH1-O 3.43Å; R644-T764 PolarHBondContact NH2-O 2.73Å; R644-E766 PolarHBondContact NH2-O 2.78Å; R644-G767 VanDerWaalsContact CZ-O 3.28Å; R644-G767 PolarHBondContact NE-O 2.89Å; R644-G767 PolarHBondContact NH2-O 2.81Å; R644-P768 PolarHBondContact NH2-O 2.87Å; R644-P768 VanDerWaalsContact NH2-O 3.08Å; R644-V769 HydrophobicContact CB-CG1 4.09Å; R644-V769 VanDerWaalsContact CZ-CG1 3.44Å
645	S	90.8	Very high	92.7	Very high	19 Å²	19	28.3 Å²	28.3	13%	0.133	13%	0.128	C	C	.	.			trans	-66.7	149.1	177.3	-49.2	0	0	0	0	111.6	T689 A690 P768 V769	S645-T689 VanDerWaalsContact CA-OG1 3.22Å; S645-T689 WeakPolarHBondContact CA-OG1 3.28Å; S645-A690 WeakPolarHBondContact CB-O 3.4Å; S645-A690 PolarHBondContact OG-O 2.93Å; S645-P768 CarbonylContact O-C 3.54Å; S645-P768 WeakPolarHBondContact O-CA 3.23Å; S645-P768 WeakPolarHBondContact O-CB 3.03Å; S645-V769 PolarHBondContact O-N 2.82Å
646	V	91.6	Very high	92.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.5	-176.3	-176.7	0	0	0	0	108.8	F23 N24 R688 T689 V769 D771	F23-V646 HydrophobicContact CE1-CG2 4.12Å; F23-V646 HydrophobicContact CE2-CG1 4.06Å; F23-V646 HydrophobicContact CE2-CG2 4.13Å; F23-V646 HydrophobicContact CZ-CB 4.37Å; F23-V646 HydrophobicContact CZ-CG1 3.95Å; F23-V646 HydrophobicContact CZ-CG2 3.45Å; F23-V646 VanDerWaalsContact CZ-CG2 3.45Å; N24-V646 HydrophobicContact CB-CG2 3.87Å; V646-R688 HydrophobicContact CB-CB 4.27Å; V646-R688 HydrophobicContact CG1-CB 4.26Å; V646-R688 WeakPolarHBondContact O-CB 3.27Å; V646-R688 PolarHBondContact O-N 2.81Å; V646-T689 HydrophobicContact CB-CG2 4.13Å; V646-T689 HydrophobicContact CG2-CG2 4.04Å; V646-T689 PolarHBondContact N-OG1 2.77Å; V646-T689 PolarHBondContact O-N 3.39Å; V646-V769 WeakPolarHBondContact CA-O 3.23Å; V646-V769 HydrophobicContact CG2-CG2 4.02Å; V646-D771 HydrophobicContact CG1-CB 3.93Å
647	V	90.6	Very high	91.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.3	-178	-60.3	0	0	0	0	112.8	I685 T686 I691 I697 L761 P768 V769 L770 D771	V647-I685 HydrophobicContact CB-CG2 4.12Å; V647-I685 HydrophobicContact CG1-CG2 4.45Å; V647-T686 CarbonylContact C-O 3.38Å; V647-T686 WeakPolarHBondContact CA-O 3.37Å; V647-I691 HydrophobicContact CG1-CD1 3.14Å; V647-I697 HydrophobicContact CG1-CD1 3.97Å; V647-L761 HydrophobicContact CG2-CD2 4.21Å; V647-P768 HydrophobicContact CG1-CB 3.8Å; V647-P768 HydrophobicContact CG1-CG 4.27Å; V647-P768 HydrophobicContact CG2-CB 4.06Å; V647-P768 HydrophobicContact CG2-CG 4.25Å; V647-V769 PolarHBondContact N-O 3.34Å; V647-L770 HydrophobicContact CG2-CD2 4.18Å; V647-D771 PolarHBondContact O-N 2.85Å
648	R	91.1	Very high	91.3	Very high	54 Å²	54	39.1 Å²	39.1	20%	0.204	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.5	170.6	-67.4	178.9	176.8	169.9	-1.4	109.7	Y650 I685 T686 D771 W774	R648-Y650 HydrophobicContact CB-CD2 4.44Å; R648-Y650 HydrophobicContact CB-CE2 3.81Å; R648-I685 WeakPolarHBondContact O-CA 3.46Å; R648-T686 PolarHBondContact N-O 3.36Å; R648-T686 PolarHBondContact O-N 2.87Å; R648-D771 HydrophobicContact CG-CB 3.88Å; R648-D771 IonicContact CZ-OD2 3.47Å; R648-D771 IonicContact NE-OD2 2.72Å; R648-D771 PolarHBondContact NE-OD2 3.2Å; R648-D771 IonicContact NH2-OD2 2.69Å; R648-D771 PolarHBondContact NH2-OD2 2.77Å; R648-W774 HydrophobicContact CB-CD2 4.4Å; R648-W774 HydrophobicContact CB-CG 4.19Å; R648-W774 HydrophobicContact CG-CB 4.18Å; R648-W774 HydrophobicContact CG-CD2 4.2Å; R648-W774 HydrophobicContact CG-CG 3.98Å
649	I	90.4	Very high	90.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.7	173.2	-54.8	173.5	0	0	0	107.7	I685 I699 V759 L761 L770 W774	I649-I685 HydrophobicContact CG1-CG1 4.45Å; I649-I699 HydrophobicContact CD1-CB 4.24Å; I649-I699 HydrophobicContact CD1-CG2 3.57Å; I649-I699 HydrophobicContact CG1-CG2 4.25Å; I649-I699 HydrophobicContact CG2-CD1 4.37Å; I649-V759 HydrophobicContact CB-CG2 4.13Å; I649-V759 HydrophobicContact CD1-CB 4.48Å; I649-V759 HydrophobicContact CG2-CB 4.1Å; I649-V759 HydrophobicContact CG2-CG1 4.23Å; I649-V759 HydrophobicContact CG2-CG2 4.02Å; I649-L761 HydrophobicContact CD1-CD2 4.2Å; I649-L770 HydrophobicContact CD1-CD2 3.59Å; I649-L770 HydrophobicContact CG1-CD2 3.82Å; I649-W774 PolarHBondContact O-NE1 3.25Å
650	Y	90.8	Very high	90.1	Very high	85 Å²	85	44.8 Å²	44.8	33%	0.333	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.5	171.6	-67.1	-99.9	0	0	0	108.1	R648 F683 N684 T686 W774	R648-Y650 HydrophobicContact CB-CD2 4.44Å; R648-Y650 HydrophobicContact CB-CE2 3.81Å; Y650-F683 CarbonylContact O-C 3.57Å; Y650-F683 VanDerWaalsContact O-CA 3.29Å; Y650-F683 WeakPolarHBondContact O-CA 3.48Å; Y650-N684 PolarHBondContact N-O 2.63Å; Y650-N684 PolarHBondContact O-N 3.14Å; Y650-T686 HydrophobicContact CD2-CG2 4.11Å; Y650-T686 HydrophobicContact CE2-CG2 3.8Å; Y650-T686 WeakPolarHBondContact CE2-OG1 3.05Å; Y650-W774 HydrophobicContact CD1-CH2 4.25Å; Y650-W774 AromaticContact CD1-CZ2 3.53Å; Y650-W774 HydrophobicContact CD1-CZ2 3.53Å; Y650-W774 AromaticContact CE1-CH2 3.42Å; Y650-W774 HydrophobicContact CE1-CH2 3.42Å; Y650-W774 VanDerWaalsContact CE1-CH2 3.42Å; Y650-W774 AromaticContact CE1-CZ2 3.1Å; Y650-W774 HydrophobicContact CE1-CZ2 3.1Å; Y650-W774 HydrophobicContact CE2-CZ2 4.3Å; Y650-W774 HydrophobicContact CG-CZ2 4.3Å; Y650-W774 AromaticContact CZ-CH2 3.78Å; Y650-W774 AromaticContact CZ-CZ2 3.54Å
651	A	91.1	Very high	89.4	Confident	14 Å²	14	46.8 Å²	46.8	12%	0.116	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.5	171.2	0	0	0	0	0	109	C682 F683 V757 V759 V778	A651-C682 CarbonylContact C-O 3.55Å; A651-C682 WeakPolarHBondContact CA-O 3.44Å; A651-F683 HydrophobicContact CB-CD1 3.87Å; A651-F683 HydrophobicContact CB-CE1 3.85Å; A651-V757 HydrophobicContact CB-CG1 4.32Å; A651-V759 HydrophobicContact CB-CG1 4.18Å; A651-V778 HydrophobicContact CB-CB 4.28Å; A651-V778 HydrophobicContact CB-CG2 3.97Å
652	N	90.4	Very high	88.3	Confident	80 Å²	80	47.6 Å²	47.6	43%	0.428	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145	176.9	-169.2	13.1	0	0	0	109.7	V681 C682	N652-V681 CarbonylContact O-C 3.57Å; N652-V681 WeakPolarHBondContact O-CA 3.41Å; N652-C682 PolarHBondContact N-O 3.2Å; N652-C682 PolarHBondContact O-N 3.49Å
653	V	90.7	Very high	87.1	Confident	20 Å²	20	52.1 Å²	52.1	12%	0.121	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.7	-178.6	-171.7	0	0	0	0	110.3	F655 A679 I680 V681 F755 V757 T780	V653-F655 HydrophobicContact CG1-CE1 4.36Å; V653-F655 HydrophobicContact CG1-CZ 4.24Å; V653-A679 HydrophobicContact CG1-CB 4.14Å; V653-I680 CarbonylContact C-O 3.56Å; V653-I680 VanDerWaalsContact CA-O 3.3Å; V653-I680 WeakPolarHBondContact CA-O 3.4Å; V653-V681 HydrophobicContact CG1-CG2 4.21Å; V653-V681 HydrophobicContact CG2-CG1 4.29Å; V653-V681 HydrophobicContact CG2-CG2 4.17Å; V653-F755 HydrophobicContact CG1-CD1 3.96Å; V653-F755 HydrophobicContact CG1-CE1 4.14Å; V653-F755 HydrophobicContact CG2-CD1 4.46Å; V653-V757 HydrophobicContact CG2-CG2 3.64Å; V653-T780 HydrophobicContact CB-CG2 3.38Å; V653-T780 HydrophobicContact CG1-CG2 3.67Å; V653-T780 HydrophobicContact CG2-CG2 3.58Å
654	R	91	Very high	86.3	Confident	163 Å²	163	55.5 Å²	55.5	62%	0.615	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.1	174.9	-61.9	-179.6	-179	168.6	2.3	110.2	A679 I680	R654-A679 CarbonylContact O-C 3.43Å; R654-A679 WeakPolarHBondContact O-CA 3.29Å; R654-I680 PolarHBondContact N-O 2.93Å; R654-I680 PolarHBondContact O-N 2.78Å
655	F	90.8	Very high	85.7	Confident	33 Å²	33	57.7 Å²	57.7	15%	0.145	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	139	-178.4	-59.4	-78	0	0	0	112.1	V653 P657 S678 A679 F741 F755 T780 L783	V653-F655 HydrophobicContact CG1-CE1 4.36Å; V653-F655 HydrophobicContact CG1-CZ 4.24Å; F655-P657 CarbonylContact C-O 3.58Å; F655-P657 CarbonylContact O-C 3.47Å; F655-S678 WeakPolarHBondContact CA-O 3.36Å; F655-A679 HydrophobicContact CD1-CB 3.84Å; F655-A679 HydrophobicContact CE1-CB 3.85Å; F655-F741 HydrophobicContact CD1-CE1 4.22Å; F655-F741 HydrophobicContact CD1-CZ 4.18Å; F655-F741 HydrophobicContact CE1-CE1 4.43Å; F655-F741 HydrophobicContact CE1-CZ 4.37Å; F655-F755 HydrophobicContact CE1-CB 3.99Å; F655-F755 HydrophobicContact CE1-CD2 4.19Å; F655-F755 HydrophobicContact CE1-CG 4.12Å; F655-F755 HydrophobicContact CZ-CB 3.67Å; F655-F755 HydrophobicContact CZ-CG 4.25Å; F655-T780 HydrophobicContact CE2-CG2 4.29Å; F655-T780 HydrophobicContact CZ-CG2 3.96Å; F655-L783 HydrophobicContact CB-CD1 3.85Å; F655-L783 HydrophobicContact CD1-CD1 4.25Å; F655-L783 HydrophobicContact CD1-CD2 4.05Å; F655-L783 HydrophobicContact CD2-CB 4.36Å; F655-L783 HydrophobicContact CD2-CD1 3.88Å; F655-L783 HydrophobicContact CE1-CD2 4.2Å; F655-L783 HydrophobicContact CE2-CB 4.12Å; F655-L783 HydrophobicContact CE2-CD1 4.48Å; F655-L783 HydrophobicContact CG-CD1 3.74Å; F655-L783 HydrophobicContact CG-CD2 4.39Å; F655-L783 HydrophobicContact CZ-CB 4.23Å
656	E	89.1	Confident	85.2	Confident	110 Å²	110	61.3 Å²	61.3	51%	0.514	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	114.9	174.1	-67.1	-177.4	171.8	0	0	109.7	S678 I680	E656-S678 PolarHBondContact N-O 3.44Å; E656-S678 PolarHBondContact O-N 3.02Å; E656-S678 PolarHBondContact O-OG 2.82Å; E656-I680 HydrophobicContact CG-CD1 4.29Å
657	P	86.7	Confident	84.8	Confident	69 Å²	69	62.8 Å²	62.8	45%	0.448	31%	0.31	S	S	.	.	S	Bend	cis	-66.7	163.3	-7.2	28	-32.8	0	0	0	112.9	F655 K659 M677	F655-P657 CarbonylContact C-O 3.58Å; F655-P657 CarbonylContact O-C 3.47Å; P657-K659 VanDerWaalsContact C-N 3.28Å; P657-K659 PolarHBondContact O-N 3.43Å; P657-M677 HydrophobicContact CG-CE 4.03Å; P657-M677 WeakPolarHBondContact O-CE 3.23Å
658	S	83	Confident	84.4	Confident	88 Å²	88	68.9 Å²	68.9	62%	0.615	34%	0.339	S	S	*	.	S	Bend	trans	-75	-12.1	-175.3	58.6	0	0	0	0	114.8
659	K	81.1	Confident	83.9	Confident	119 Å²	119	71.8 Å²	71.8	52%	0.517	35%	0.35	S	S	.	.	S	Bend	trans	-137.5	150.6	176.6	-55.3	-169.6	178.8	176.2	0	110.6	P657 P784	P657-K659 VanDerWaalsContact C-N 3.28Å; P657-K659 PolarHBondContact O-N 3.43Å; K659-P784 CarbonylContact C-O 3.2Å; K659-P784 WeakPolarHBondContact CA-O 3.34Å; K659-P784 HydrophobicContact CG-CG 4.06Å
660	V	84.3	Confident	83	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-84.5	114.7	176	-166.6	0	0	0	0	110.2	I662 T675 M677 V743 I753 L783 P784 F785 W786	V660-I662 HydrophobicContact CG1-CG2 3.99Å; V660-T675 HydrophobicContact CG1-CG2 4.45Å; V660-M677 HydrophobicContact CB-SD 4.18Å; V660-M677 HydrophobicContact CG1-SD 4.19Å; V660-M677 HydrophobicContact CG2-CE 4.25Å; V660-M677 HydrophobicContact CG2-SD 3.54Å; V660-M677 VanDerWaalsContact CG2-SD 3.54Å; V660-V743 HydrophobicContact CG1-CB 3.9Å; V660-V743 HydrophobicContact CG1-CG1 3.94Å; V660-V743 HydrophobicContact CG1-CG2 3.75Å; V660-V743 HydrophobicContact CG2-CG2 4.37Å; V660-I753 HydrophobicContact CG2-CD1 4.12Å; V660-L783 HydrophobicContact CG2-CD1 4.49Å; V660-L783 HydrophobicContact CG2-CD2 3.98Å; V660-L783 HydrophobicContact CG2-CG 3.86Å; V660-P784 PolarHBondContact N-O 2.92Å; V660-F785 HydrophobicContact CB-CD1 3.72Å; V660-F785 HydrophobicContact CB-CE1 3.99Å; V660-F785 HydrophobicContact CB-CG 4.16Å; V660-F785 HydrophobicContact CG1-CD1 3.86Å; V660-F785 HydrophobicContact CG1-CE1 3.77Å; V660-F785 HydrophobicContact CG2-CD1 4.42Å; V660-F785 HydrophobicContact CG2-CE1 4.41Å; V660-F785 CarbonylContact O-C 3.59Å; V660-F785 WeakPolarHBondContact O-CA 3.48Å; V660-W786 PolarHBondContact O-N 3.38Å
661	N	80.2	Confident	82.3	Confident	42 Å²	42	75 Å²	75	23%	0.225	41%	0.409	C	S	.	.			trans	-103.9	98.6	169.1	-170.8	-16	0	0	0	110.5	F663 V664 T675 W786	N661-F663 PolarHBondContact O-N 2.64Å; N661-F663 WeakPolarHBondContact OD1-CB 3.32Å; N661-F663 PolarHBondContact OD1-N 3.1Å; N661-V664 HydrophobicContact CB-CB 4.28Å; N661-V664 HydrophobicContact CB-CG2 4.29Å; N661-V664 WeakPolarHBondContact ND2-CG2 3.12Å; N661-V664 PolarHBondContact O-N 3.14Å; N661-V664 VanDerWaalsContact O-O 3.09Å; N661-V664 PolarHBondContact OD1-N 3.34Å; N661-T675 WeakPolarHBondContact O-CG2 3.3Å; N661-T675 PolarHBondContact O-OG1 2.79Å; N661-T675 VanDerWaalsContact O-OG1 3.07Å; N661-W786 HydrophobicContact CB-CB 4.28Å
662	I	72.6	Confident	81.8	Confident	17 Å²	17	80.5 Å²	80.5	9%	0.087	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.1	-179	55.9	104.8	0	0	0	114.5	V660 Y749 F785	V660-I662 HydrophobicContact CG1-CG2 3.99Å; I662-Y749 HydrophobicContact CB-CD1 4.44Å; I662-Y749 HydrophobicContact CB-CE1 3.92Å; I662-Y749 HydrophobicContact CD1-CD1 3.97Å; I662-Y749 HydrophobicContact CD1-CE1 3.16Å; I662-Y749 HydrophobicContact CD1-CE2 4.28Å; I662-Y749 WeakPolarHBondContact CD1-OH 3.35Å; I662-Y749 HydrophobicContact CG1-CD1 3.7Å; I662-Y749 HydrophobicContact CG1-CE1 3.29Å; I662-Y749 HydrophobicContact CG2-CD1 4.11Å; I662-Y749 HydrophobicContact CG2-CE1 3.91Å; I662-F785 HydrophobicContact CG2-CD1 3.75Å; I662-F785 HydrophobicContact CG2-CE1 3.72Å
663	F	69.8	Low	81.4	Confident	138 Å²	138	81.2 Å²	81.2	61%	0.605	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.9	174.3	-55.5	-75.1	0	0	0	112.1	N661 W786	N661-F663 PolarHBondContact O-N 2.64Å; N661-F663 WeakPolarHBondContact OD1-CB 3.32Å; N661-F663 PolarHBondContact OD1-N 3.1Å; F663-W786 AromaticContact CD2-CE3 3.54Å; F663-W786 HydrophobicContact CD2-CE3 3.54Å; F663-W786 AromaticContact CD2-CZ3 3.6Å; F663-W786 HydrophobicContact CD2-CZ3 3.6Å; F663-W786 AromaticContact CE2-CE3 3.76Å; F663-W786 HydrophobicContact CE2-CE3 3.76Å; F663-W786 AromaticContact CE2-CZ3 3.83Å; F663-W786 HydrophobicContact CE2-CZ3 3.83Å
664	V	75.3	Confident	81.3	Confident	76 Å²	76	80.4 Å²	80.4	46%	0.461	43%	0.429	S	S	.	.			trans	-94.2	107.5	173.2	177.8	0	0	0	0	108.2	N661 D666 T675	N661-V664 HydrophobicContact CB-CB 4.28Å; N661-V664 HydrophobicContact CB-CG2 4.29Å; N661-V664 WeakPolarHBondContact ND2-CG2 3.12Å; N661-V664 PolarHBondContact O-N 3.14Å; N661-V664 VanDerWaalsContact O-O 3.09Å; N661-V664 PolarHBondContact OD1-N 3.34Å; V664-D666 HydrophobicContact CG1-CB 4.3Å; V664-T675 PolarHBondContact O-OG1 2.92Å
665	K	79.2	Confident	81.1	Confident	83 Å²	83	73 Å²	73	36%	0.361	40%	0.402	S	S	.	.			trans	-103	90.3	177.5	-54.7	-118.1	-170.6	176.4	0	108.4	D673 E745	K665-D673 HydrophobicContact CB-CB 3.96Å; K665-D673 HydrophobicContact CD-CB 3.77Å; K665-D673 WeakPolarHBondContact CD-O 3.46Å; K665-D673 HydrophobicContact CG-CB 4.38Å; K665-D673 PolarHBondContact NZ-O 2.75Å; K665-E745 IonicContact NZ-OE2 2.75Å; K665-E745 PolarHBondContact NZ-OE2 2.51Å
666	D	79.8	Confident	81	Confident	95 Å²	95	72.5 Å²	72.5	51%	0.508	40%	0.403	S	S	.	.			trans	-94.9	-6.1	-169.1	61.9	-27.5	0	0	0	113.8	V664 V674 T675 C676	V664-D666 HydrophobicContact CG1-CB 4.3Å; D666-V674 PolarHBondContact N-O 3.4Å; D666-T675 WeakPolarHBondContact OD1-CA 3Å; D666-C676 PolarHBondContact OD1-N 3.02Å
667	C	82.6	Confident	81.1	Confident	30 Å²	30	67.6 Å²	67.6	20%	0.203	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	162.7	176.5	71.7	0	0	0	0	113.3	V674 C676	C667-V674 PolarHBondContact N-O 3.37Å; C667-V674 PolarHBondContact O-N 2.94Å; C667-V674 VanDerWaalsContact O-O 3.06Å; C667-V674 VanDerWaalsContact SG-CG2 3.59Å; C667-C676 HydrophobicContact CB-CB 3.87Å; C667-C676 WeakPolarHBondContact CB-SG 3.1Å; C667-C676 WeakPolarHBondContact SG-CB 3.42Å; C667-C676 CovalentContact SG-SG 2.01Å; C667-C676 PolarHBondContact SG-SG 3.4Å
668	Q	82.5	Confident	81.3	Confident	129 Å²	129	64.9 Å²	64.9	60%	0.603	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.1	-179.8	-156.2	-179.9	17.8	0	0	110.8	K672	Q668-K672 WeakPolarHBondContact CA-O 3.34Å
669	R	81.8	Confident	81.7	Confident	115 Å²	115	60.7 Å²	60.7	43%	0.434	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.9	179.5	-65	-63.7	-167.9	-149.4	2.2	110.2	G671 K672 V674 D717 H742	R669-G671 PolarHBondContact O-N 2.92Å; R669-K672 PolarHBondContact N-O 2.82Å; R669-K672 PolarHBondContact O-N 2.83Å; R669-K672 VanDerWaalsContact O-N 3.11Å; R669-V674 HydrophobicContact CB-CG2 3.84Å; R669-V674 HydrophobicContact CG-CG2 3.74Å; R669-D717 IonicContact CZ-OD2 3.57Å; R669-D717 VanDerWaalsContact CZ-OD2 3.3Å; R669-D717 IonicContact NE-OD1 3.62Å; R669-D717 IonicContact NE-OD2 3.53Å; R669-D717 PolarHBondContact NE-OD2 3.49Å; R669-D717 VanDerWaalsContact NE-OD2 3.09Å; R669-D717 IonicContact NH2-OD2 3.63Å; R669-D717 PolarHBondContact NH2-OD2 2.77Å; R669-H742 HydrophobicContact CG-CB 4.47Å
670	G	71.3	Confident	82.3	Confident	90 Å²	90	56.1 Å²	56.1	93%	0.928	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	29	-179.5	0	0	0	0	0	114.6	K672	G670-K672 VanDerWaalsContact C-N 3.32Å; G670-K672 PolarHBondContact O-N 2.74Å
671	G	76	Confident	82.7	Confident	64 Å²	64	56.1 Å²	56.1	66%	0.66	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	7.5	-177.9	0	0	0	0	0	115.2	R669	R669-G671 PolarHBondContact O-N 2.92Å
672	K	79.1	Confident	83.3	Confident	130 Å²	130	54.8 Å²	54.8	57%	0.565	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.6	175.2	-66.7	-179.2	177.1	-177.2	0	110.7	Q668 R669 G670 V674 M744	Q668-K672 WeakPolarHBondContact CA-O 3.34Å; R669-K672 PolarHBondContact N-O 2.82Å; R669-K672 PolarHBondContact O-N 2.83Å; R669-K672 VanDerWaalsContact O-N 3.11Å; G670-K672 VanDerWaalsContact C-N 3.32Å; G670-K672 PolarHBondContact O-N 2.74Å; K672-V674 HydrophobicContact CB-CG1 4.36Å; K672-M744 HydrophobicContact CD-CE 4.01Å
673	D	82.6	Confident	84.3	Confident	95 Å²	95	54 Å²	54	51%	0.508	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.6	171.1	-59.8	-32.1	0	0	0	108.9	K665	K665-D673 HydrophobicContact CB-CB 3.96Å; K665-D673 HydrophobicContact CD-CB 3.77Å; K665-D673 WeakPolarHBondContact CD-O 3.46Å; K665-D673 HydrophobicContact CG-CB 4.38Å; K665-D673 PolarHBondContact NZ-O 2.75Å
674	V	88	Confident	85.4	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	166.6	-173.2	-62	0	0	0	0	110.5	D666 C667 R669 K672 H742 M744	D666-V674 PolarHBondContact N-O 3.4Å; C667-V674 PolarHBondContact N-O 3.37Å; C667-V674 PolarHBondContact O-N 2.94Å; C667-V674 VanDerWaalsContact O-O 3.06Å; C667-V674 VanDerWaalsContact SG-CG2 3.59Å; R669-V674 HydrophobicContact CB-CG2 3.84Å; R669-V674 HydrophobicContact CG-CG2 3.74Å; K672-V674 HydrophobicContact CB-CG1 4.36Å; V674-H742 HydrophobicContact CB-CB 4.29Å; V674-H742 HydrophobicContact CG2-CB 3.77Å; V674-M744 HydrophobicContact CG1-SD 3.76Å
675	T	87.9	Confident	86.2	Confident	7 Å²	7	46 Å²	46	4%	0.043	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.7	174.7	-53.4	0	0	0	0	109.3	V660 N661 V664 D666 H742 V743	V660-T675 HydrophobicContact CG1-CG2 4.45Å; N661-T675 WeakPolarHBondContact O-CG2 3.3Å; N661-T675 PolarHBondContact O-OG1 2.79Å; N661-T675 VanDerWaalsContact O-OG1 3.07Å; V664-T675 PolarHBondContact O-OG1 2.92Å; D666-T675 WeakPolarHBondContact OD1-CA 3Å; T675-H742 CarbonylContact O-C 3.43Å; T675-H742 VanDerWaalsContact O-CA 3.3Å; T675-H742 WeakPolarHBondContact O-CA 3.5Å; T675-V743 PolarHBondContact N-O 2.87Å; T675-V743 PolarHBondContact O-N 3.5Å
676	C	89.4	Confident	86.7	Confident	24 Å²	24	44.4 Å²	44.4	16%	0.162	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	142.7	178.9	-90.5	0	0	0	0	111.8	D666 C667	D666-C676 PolarHBondContact OD1-N 3.02Å; C667-C676 HydrophobicContact CB-CB 3.87Å; C667-C676 WeakPolarHBondContact CB-SG 3.1Å; C667-C676 WeakPolarHBondContact SG-CB 3.42Å; C667-C676 CovalentContact SG-SG 2.01Å; C667-C676 PolarHBondContact SG-SG 3.4Å
677	M	90.4	Very high	87.1	Confident	6 Å²	6	42 Å²	42	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159.1	178.9	-58.9	-159.9	71.9	0	0	111.2	P657 V660 F741 V743 L783	P657-M677 HydrophobicContact CG-CE 4.03Å; P657-M677 WeakPolarHBondContact O-CE 3.23Å; V660-M677 HydrophobicContact CB-SD 4.18Å; V660-M677 HydrophobicContact CG1-SD 4.19Å; V660-M677 HydrophobicContact CG2-CE 4.25Å; V660-M677 HydrophobicContact CG2-SD 3.54Å; V660-M677 VanDerWaalsContact CG2-SD 3.54Å; M677-F741 CarbonylContact C-O 3.59Å; M677-F741 HydrophobicContact CB-CD1 4.24Å; M677-F741 HydrophobicContact CB-CD2 4.15Å; M677-F741 HydrophobicContact CB-CE1 3.73Å; M677-F741 HydrophobicContact CB-CE2 3.64Å; M677-F741 HydrophobicContact CB-CG 4.43Å; M677-F741 HydrophobicContact CB-CZ 3.41Å; M677-F741 VanDerWaalsContact CB-CZ 3.41Å; M677-F741 HydrophobicContact CG-CE2 4.16Å; M677-F741 HydrophobicContact CG-CZ 4.22Å; M677-F741 PolarHBondContact N-O 3.33Å; M677-F741 PolarHBondContact O-N 3Å; M677-F741 HydrophobicContact SD-CE2 3.94Å; M677-F741 HydrophobicContact SD-CZ 4Å; M677-V743 HydrophobicContact CG-CG2 4.45Å; M677-V743 HydrophobicContact SD-CG2 4.01Å; M677-L783 HydrophobicContact CE-CD1 3.85Å; M677-L783 HydrophobicContact CE-CD2 3.87Å; M677-L783 HydrophobicContact CE-CG 4.34Å; M677-L783 HydrophobicContact SD-CD2 3.82Å
678	S	90.9	Very high	87.5	Confident	12 Å²	12	43.9 Å²	43.9	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.5	171.8	70.2	0	0	0	0	111.4	F655 E656 I739	F655-S678 WeakPolarHBondContact CA-O 3.36Å; E656-S678 PolarHBondContact N-O 3.44Å; E656-S678 PolarHBondContact O-N 3.02Å; E656-S678 PolarHBondContact O-OG 2.82Å; S678-I739 CarbonylContact C-O 3.57Å; S678-I739 WeakPolarHBondContact CA-O 3.02Å
679	A	91.9	Very high	87.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.2	172	0	0	0	0	0	109.1	V653 R654 F655 I739 F741 F755	V653-A679 HydrophobicContact CG1-CB 4.14Å; R654-A679 CarbonylContact O-C 3.43Å; R654-A679 WeakPolarHBondContact O-CA 3.29Å; F655-A679 HydrophobicContact CD1-CB 3.84Å; F655-A679 HydrophobicContact CE1-CB 3.85Å; A679-I739 HydrophobicContact CB-CB 4.37Å; A679-I739 PolarHBondContact N-O 2.01Å; A679-I739 WeakPolarHBondContact O-CB 3.44Å; A679-I739 PolarHBondContact O-N 2.76Å; A679-F741 HydrophobicContact CB-CE1 4.03Å; A679-F755 HydrophobicContact CB-CD2 4.41Å; A679-F755 HydrophobicContact CB-CE1 3.9Å; A679-F755 HydrophobicContact CB-CE2 3.82Å; A679-F755 HydrophobicContact CB-CZ 3.49Å; A679-F755 VanDerWaalsContact CB-CZ 3.49Å
680	I	92.8	Very high	88.2	Confident	23 Å²	23	35.6 Å²	35.6	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	112.1	176.7	-51.5	178.7	0	0	0	107.5	V653 R654 E656 C736	V653-I680 CarbonylContact C-O 3.56Å; V653-I680 VanDerWaalsContact CA-O 3.3Å; V653-I680 WeakPolarHBondContact CA-O 3.4Å; R654-I680 PolarHBondContact N-O 2.93Å; R654-I680 PolarHBondContact O-N 2.78Å; E656-I680 HydrophobicContact CG-CD1 4.29Å; I680-C736 HydrophobicContact CG2-CB 4.04Å
681	V	93.1	Very high	88.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.1	-179.2	-174.8	0	0	0	0	109.2	N652 V653 F683 C736 E737 I739 F755 V757	N652-V681 CarbonylContact O-C 3.57Å; N652-V681 WeakPolarHBondContact O-CA 3.41Å; V653-V681 HydrophobicContact CG1-CG2 4.21Å; V653-V681 HydrophobicContact CG2-CG1 4.29Å; V653-V681 HydrophobicContact CG2-CG2 4.17Å; V681-F683 HydrophobicContact CB-CE2 4.42Å; V681-F683 HydrophobicContact CB-CZ 4.44Å; V681-F683 HydrophobicContact CG1-CE1 3.93Å; V681-F683 HydrophobicContact CG1-CE2 3.71Å; V681-F683 HydrophobicContact CG1-CZ 3.36Å; V681-C736 CarbonylContact O-C 3.5Å; V681-C736 VanDerWaalsContact O-CA 3.23Å; V681-C736 WeakPolarHBondContact O-CA 3.02Å; V681-E737 PolarHBondContact N-O 2.97Å; V681-E737 PolarHBondContact O-N 2.86Å; V681-I739 HydrophobicContact CG2-CG1 4.03Å; V681-F755 HydrophobicContact CG2-CE1 3.88Å; V681-V757 HydrophobicContact CG1-CG1 4Å; V681-V757 HydrophobicContact CG1-CG2 3.81Å; V681-V757 HydrophobicContact CG2-CG2 4.15Å
682	C	93.2	Very high	89.1	Confident	14 Å²	14	32.7 Å²	32.7	10%	0.095	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135	179.8	-61.2	0	0	0	0	111.4	A651 N652 E734 A735 C736	A651-C682 CarbonylContact C-O 3.55Å; A651-C682 WeakPolarHBondContact CA-O 3.44Å; N652-C682 PolarHBondContact N-O 3.2Å; N652-C682 PolarHBondContact O-N 3.49Å; C682-E734 HydrophobicContact CB-CG 4.24Å; C682-A735 CarbonylContact C-O 3.58Å; C682-A735 WeakPolarHBondContact CA-O 3.45Å; C682-C736 HydrophobicContact CB-CB 4.12Å; C682-C736 WeakPolarHBondContact CB-SG 3.33Å; C682-C736 WeakPolarHBondContact SG-CB 3.39Å; C682-C736 CovalentContact SG-SG 2.05Å; C682-C736 PolarHBondContact SG-SG 2.82Å
683	F	93.8	Very high	89	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.5	179.4	-58.2	-77.2	0	0	0	111.2	Y650 A651 V681 I699 Y701 L727 L729 E734 A735 V757 V759	Y650-F683 CarbonylContact O-C 3.57Å; Y650-F683 VanDerWaalsContact O-CA 3.29Å; Y650-F683 WeakPolarHBondContact O-CA 3.48Å; A651-F683 HydrophobicContact CB-CD1 3.87Å; A651-F683 HydrophobicContact CB-CE1 3.85Å; V681-F683 HydrophobicContact CB-CE2 4.42Å; V681-F683 HydrophobicContact CB-CZ 4.44Å; V681-F683 HydrophobicContact CG1-CE1 3.93Å; V681-F683 HydrophobicContact CG1-CE2 3.71Å; V681-F683 HydrophobicContact CG1-CZ 3.36Å; F683-I699 HydrophobicContact CB-CD1 3.87Å; F683-I699 HydrophobicContact CD1-CD1 3.99Å; F683-I699 HydrophobicContact CD2-CD1 4.37Å; F683-I699 HydrophobicContact CG-CD1 3.82Å; F683-Y701 HydrophobicContact CE1-CD2 4.45Å; F683-Y701 HydrophobicContact CE1-CG 4.18Å; F683-Y701 AromaticContact CE2-CD1 3.9Å; F683-Y701 HydrophobicContact CE2-CD1 3.9Å; F683-Y701 AromaticContact CE2-CD2 3.92Å; F683-Y701 HydrophobicContact CE2-CD2 3.92Å; F683-Y701 AromaticContact CE2-CE1 3.99Å; F683-Y701 HydrophobicContact CE2-CE1 3.99Å; F683-Y701 AromaticContact CE2-CE2 3.99Å; F683-Y701 HydrophobicContact CE2-CE2 3.99Å; F683-Y701 AromaticContact CE2-CG 3.87Å; F683-Y701 HydrophobicContact CE2-CG 3.87Å; F683-Y701 AromaticContact CZ-CD1 3.92Å; F683-Y701 HydrophobicContact CZ-CD1 3.92Å; F683-Y701 AromaticContact CZ-CD2 3.43Å; F683-Y701 HydrophobicContact CZ-CD2 3.43Å; F683-Y701 VanDerWaalsContact CZ-CD2 3.43Å; F683-Y701 HydrophobicContact CZ-CE1 4.38Å; F683-Y701 AromaticContact CZ-CE2 3.94Å; F683-Y701 HydrophobicContact CZ-CE2 3.94Å; F683-Y701 AromaticContact CZ-CG 3.41Å; F683-Y701 HydrophobicContact CZ-CG 3.41Å; F683-Y701 VanDerWaalsContact CZ-CG 3.41Å; F683-L727 HydrophobicContact CB-CD2 4.42Å; F683-L727 HydrophobicContact CD2-CD2 3.66Å; F683-L727 HydrophobicContact CE2-CD2 4.35Å; F683-L727 HydrophobicContact CG-CD2 4.35Å; F683-L729 HydrophobicContact CB-CD1 3.89Å; F683-E734 VanDerWaalsContact O-CA 3.3Å; F683-E734 WeakPolarHBondContact O-CA 3.43Å; F683-A735 PolarHBondContact N-O 3.2Å; F683-A735 PolarHBondContact O-N 2.83Å; F683-A735 VanDerWaalsContact O-N 3.1Å; F683-V757 HydrophobicContact CE1-CG1 3.66Å; F683-V757 HydrophobicContact CZ-CG1 3.8Å; F683-V759 HydrophobicContact CD1-CG1 3.92Å; F683-V759 HydrophobicContact CE1-CG1 3.47Å; F683-V759 VanDerWaalsContact CE1-CG1 3.47Å
684	N	92.6	Very high	88.8	Confident	47 Å²	47	33 Å²	33	25%	0.251	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.2	173.6	-178	-10.4	0	0	0	109.8	Y650 G733	Y650-N684 PolarHBondContact N-O 2.63Å; Y650-N684 PolarHBondContact O-N 3.14Å; N684-G733 PolarHBondContact OD1-O 2.89Å
685	I	90.8	Very high	88.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.8	-179	-54	177.6	0	0	0	109.9	V647 R648 I649 I697 I699 L729 G732	V647-I685 HydrophobicContact CB-CG2 4.12Å; V647-I685 HydrophobicContact CG1-CG2 4.45Å; R648-I685 WeakPolarHBondContact O-CA 3.46Å; I649-I685 HydrophobicContact CG1-CG1 4.45Å; I685-I697 HydrophobicContact CD1-CB 3.86Å; I685-I697 HydrophobicContact CD1-CG2 3.91Å; I685-I697 HydrophobicContact CG2-CD1 3.87Å; I685-I699 HydrophobicContact CD1-CG2 3.52Å; I685-I699 HydrophobicContact CG1-CG2 4.35Å; I685-L729 HydrophobicContact CD1-CB 3.74Å; I685-L729 HydrophobicContact CD1-CD1 4.17Å; I685-L729 HydrophobicContact CG1-CB 4.38Å; I685-L729 HydrophobicContact CG1-CD1 4.29Å; I685-G732 PolarHBondContact O-N 3.09Å
686	T	90.3	Very high	88.6	Confident	49 Å²	49	41.6 Å²	41.6	30%	0.301	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.9	171.8	71.3	0	0	0	0	111.3	V647 R648 Y650	V647-T686 CarbonylContact C-O 3.38Å; V647-T686 WeakPolarHBondContact CA-O 3.37Å; R648-T686 PolarHBondContact N-O 3.36Å; R648-T686 PolarHBondContact O-N 2.87Å; Y650-T686 HydrophobicContact CD2-CG2 4.11Å; Y650-T686 HydrophobicContact CE2-CG2 3.8Å; Y650-T686 WeakPolarHBondContact CE2-OG1 3.05Å
687	A	89.5	Confident	88.5	Confident	46 Å²	46	40.7 Å²	40.7	38%	0.38	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.3	175.6	0	0	0	0	0	109.8	I691 T731	A687-I691 HydrophobicContact CB-CB 4.21Å; A687-I691 HydrophobicContact CB-CD1 3.75Å; A687-I691 HydrophobicContact CB-CG1 4.06Å; A687-T731 HydrophobicContact CB-CG2 4.32Å
688	R	89.7	Confident	88.5	Confident	68 Å²	68	41.2 Å²	41.2	26%	0.257	24%	0.244	S	C	.	.	S	Bend	trans	-100.9	-33.8	175.8	-155.2	-173.1	174.9	-153.1	21.2	112.2	N561 G562 D563 V646	N561-R688 VanDerWaalsContact O-CD 3.3Å; N561-R688 WeakPolarHBondContact O-CD 3.33Å; N561-R688 PolarHBondContact O-NH1 2.84Å; N561-R688 PolarHBondContact OD1-NH1 2.78Å; G562-R688 PolarHBondContact O-NE 2.98Å; D563-R688 VanDerWaalsContact CA-CZ 3.47Å; D563-R688 VanDerWaalsContact CB-CZ 3.44Å; V646-R688 HydrophobicContact CB-CB 4.27Å; V646-R688 HydrophobicContact CG1-CB 4.26Å; V646-R688 WeakPolarHBondContact O-CB 3.27Å; V646-R688 PolarHBondContact O-N 2.81Å
689	T	90.8	Very high	88.5	Confident	22 Å²	22	40.6 Å²	40.6	14%	0.135	24%	0.24	C	C	.	.	S	Bend	trans	-113.4	175.7	169	62.9	0	0	0	0	110.3	L627 S645 V646 I691	L627-T689 HydrophobicContact CD2-CG2 4.44Å; S645-T689 VanDerWaalsContact CA-OG1 3.22Å; S645-T689 WeakPolarHBondContact CA-OG1 3.28Å; V646-T689 HydrophobicContact CB-CG2 4.13Å; V646-T689 HydrophobicContact CG2-CG2 4.04Å; V646-T689 PolarHBondContact N-OG1 2.77Å; V646-T689 PolarHBondContact O-N 3.39Å; T689-I691 PolarHBondContact O-N 2.88Å
690	A	87.8	Confident	88.5	Confident	49 Å²	49	46.6 Å²	46.6	41%	0.405	26%	0.263	S	S	.	.			trans	-57.2	129.8	-177.7	0	0	0	0	0	112	L627 S645	L627-A690 HydrophobicContact CD2-CB 4.19Å; S645-A690 WeakPolarHBondContact CB-O 3.4Å; S645-A690 PolarHBondContact OG-O 2.93Å
691	I	85.6	Confident	88.4	Confident	27 Å²	27	45.8 Å²	45.8	14%	0.138	26%	0.259	C	S	.	.			trans	-137.9	135.9	173.6	-66.6	-176.5	0	0	0	108.1	V647 A687 T689 Q695 I697 T731 P768	V647-I691 HydrophobicContact CG1-CD1 3.14Å; A687-I691 HydrophobicContact CB-CB 4.21Å; A687-I691 HydrophobicContact CB-CD1 3.75Å; A687-I691 HydrophobicContact CB-CG1 4.06Å; T689-I691 PolarHBondContact O-N 2.88Å; I691-Q695 HydrophobicContact CG2-CB 4.08Å; I691-I697 HydrophobicContact CD1-CD1 4.33Å; I691-T731 HydrophobicContact CD1-CG2 4.49Å; I691-T731 HydrophobicContact CG2-CG2 4.13Å; I691-P768 HydrophobicContact CD1-CB 4.4Å
692	P	81.8	Confident	88.3	Confident	66 Å²	66	47.6 Å²	47.6	43%	0.429	27%	0.268	S	S	.	.			trans	-55.6	131.3	171.2	-23.4	31.6	0	0	0	111.6	T694 Q695	P692-T694 PolarHBondContact O-N 3.41Å; P692-Q695 HydrophobicContact CB-CB 4.22Å; P692-Q695 WeakPolarHBondContact O-CB 3.44Å; P692-Q695 PolarHBondContact O-N 3.04Å
693	P	76	Confident	88.2	Confident	110 Å²	110	47 Å²	47	71%	0.714	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.3	-174.9	25.4	-34.3	0	0	0	113.7
694	T	79.8	Confident	88	Confident	121 Å²	121	48.7 Å²	48.7	74%	0.742	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	0.3	177.8	58.6	0	0	0	0	113	P692 E696	P692-T694 PolarHBondContact O-N 3.41Å; T694-E696 PolarHBondContact O-N 3.37Å
695	Q	83	Confident	87.8	Confident	60 Å²	60	47.8 Å²	47.8	28%	0.28	27%	0.271	S	S	.	.			trans	-79.3	116	-178.3	-176.7	170.5	-6.4	0	0	110.2	I691 P692	I691-Q695 HydrophobicContact CG2-CB 4.08Å; P692-Q695 HydrophobicContact CB-CB 4.22Å; P692-Q695 WeakPolarHBondContact O-CB 3.44Å; P692-Q695 PolarHBondContact O-N 3.04Å
696	E	87	Confident	87.4	Confident	129 Å²	129	51.7 Å²	51.7	60%	0.603	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	138.2	168.3	-66.6	-178.9	-176.3	0	0	110	T694 L730	T694-E696 PolarHBondContact O-N 3.37Å; E696-L730 HydrophobicContact CG-CD2 3.67Å; E696-L730 HydrophobicContact CG-CG 4.26Å
697	I	88.8	Confident	86.9	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.3	178.7	-60.3	170.6	0	0	0	107.6	V647 I685 I691 I699 L729 T731 L761 P768	V647-I697 HydrophobicContact CG1-CD1 3.97Å; I685-I697 HydrophobicContact CD1-CB 3.86Å; I685-I697 HydrophobicContact CD1-CG2 3.91Å; I685-I697 HydrophobicContact CG2-CD1 3.87Å; I691-I697 HydrophobicContact CD1-CD1 4.33Å; I697-I699 HydrophobicContact CG2-CG2 4.31Å; I697-L729 PolarHBondContact N-O 3.46Å; I697-L729 PolarHBondContact O-N 2.73Å; I697-T731 HydrophobicContact CD1-CG2 3.69Å; I697-L761 HydrophobicContact CG2-CD2 3.66Å; I697-P768 HydrophobicContact CD1-CG 4.18Å; I697-P768 HydrophobicContact CG1-CG 4.22Å; I697-P768 HydrophobicContact CG2-CG 4.18Å
698	G	90.1	Very high	86	Confident	17 Å²	17	61.1 Å²	61.1	18%	0.175	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.8	170.3	0	0	0	0	0	110.4	E762	G698-E762 WeakPolarHBondContact O-CB 3.36Å; G698-E762 PolarHBondContact O-N 3.33Å
699	I	91.1	Very high	85.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144.5	171.1	67.2	166.8	0	0	0	109.6	I649 F683 I685 I697 N726 L727 L729 G760 L761	I649-I699 HydrophobicContact CD1-CB 4.24Å; I649-I699 HydrophobicContact CD1-CG2 3.57Å; I649-I699 HydrophobicContact CG1-CG2 4.25Å; I649-I699 HydrophobicContact CG2-CD1 4.37Å; F683-I699 HydrophobicContact CB-CD1 3.87Å; F683-I699 HydrophobicContact CD1-CD1 3.99Å; F683-I699 HydrophobicContact CD2-CD1 4.37Å; F683-I699 HydrophobicContact CG-CD1 3.82Å; I685-I699 HydrophobicContact CD1-CG2 3.52Å; I685-I699 HydrophobicContact CG1-CG2 4.35Å; I697-I699 HydrophobicContact CG2-CG2 4.31Å; I699-N726 CarbonylContact O-C 3.49Å; I699-N726 WeakPolarHBondContact O-CA 3.47Å; I699-L727 HydrophobicContact CD1-CD2 4.24Å; I699-L727 HydrophobicContact CG1-CB 3.93Å; I699-L727 HydrophobicContact CG1-CG 4.45Å; I699-L727 WeakPolarHBondContact CG1-O 3.24Å; I699-L727 PolarHBondContact N-O 3.11Å; I699-L727 PolarHBondContact O-N 2.8Å; I699-L729 HydrophobicContact CD1-CD1 3.97Å; I699-L729 HydrophobicContact CG1-CD1 4.47Å; I699-G760 CarbonylContact C-O 3.59Å; I699-G760 VanDerWaalsContact CA-O 3.3Å; I699-G760 WeakPolarHBondContact CA-O 3.48Å; I699-G760 WeakPolarHBondContact CB-O 3.38Å; I699-L761 HydrophobicContact CG2-CD2 4.43Å
700	R	91.4	Very high	84.5	Confident	126 Å²	126	69.7 Å²	69.7	48%	0.475	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.1	172.3	-171	173.2	-166.2	-170.9	-1.6	108.5	P724 Q725 V759 G760	R700-P724 HydrophobicContact CG-CB 3.86Å; R700-Q725 CarbonylContact C-O 3.27Å; R700-Q725 VanDerWaalsContact CA-O 3.27Å; R700-Q725 WeakPolarHBondContact CA-O 3.44Å; R700-V759 CarbonylContact O-C 3.58Å; R700-G760 PolarHBondContact N-O 2.84Å; R700-G760 PolarHBondContact O-N 2.98Å
701	Y	91.3	Very high	84	Confident	6 Å²	6	73.4 Å²	73.4	2%	0.024	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.1	179.9	75.5	-84.9	0	0	0	111.2	F683 V703 P724 Q725 L727 E737 Q758	F683-Y701 HydrophobicContact CE1-CD2 4.45Å; F683-Y701 HydrophobicContact CE1-CG 4.18Å; F683-Y701 AromaticContact CE2-CD1 3.9Å; F683-Y701 HydrophobicContact CE2-CD1 3.9Å; F683-Y701 AromaticContact CE2-CD2 3.92Å; F683-Y701 HydrophobicContact CE2-CD2 3.92Å; F683-Y701 AromaticContact CE2-CE1 3.99Å; F683-Y701 HydrophobicContact CE2-CE1 3.99Å; F683-Y701 AromaticContact CE2-CE2 3.99Å; F683-Y701 HydrophobicContact CE2-CE2 3.99Å; F683-Y701 AromaticContact CE2-CG 3.87Å; F683-Y701 HydrophobicContact CE2-CG 3.87Å; F683-Y701 AromaticContact CZ-CD1 3.92Å; F683-Y701 HydrophobicContact CZ-CD1 3.92Å; F683-Y701 AromaticContact CZ-CD2 3.43Å; F683-Y701 HydrophobicContact CZ-CD2 3.43Å; F683-Y701 VanDerWaalsContact CZ-CD2 3.43Å; F683-Y701 HydrophobicContact CZ-CE1 4.38Å; F683-Y701 AromaticContact CZ-CE2 3.94Å; F683-Y701 HydrophobicContact CZ-CE2 3.94Å; F683-Y701 AromaticContact CZ-CG 3.41Å; F683-Y701 HydrophobicContact CZ-CG 3.41Å; F683-Y701 VanDerWaalsContact CZ-CG 3.41Å; Y701-V703 HydrophobicContact CD2-CG2 3.79Å; Y701-V703 HydrophobicContact CE2-CG2 3.78Å; Y701-P724 CarbonylContact O-C 3.55Å; Y701-P724 WeakPolarHBondContact O-CA 3.41Å; Y701-Q725 HydrophobicContact CD1-CB 4.03Å; Y701-Q725 HydrophobicContact CE1-CB 3.49Å; Y701-Q725 VanDerWaalsContact CE1-CB 3.49Å; Y701-Q725 HydrophobicContact CE1-CG 4.43Å; Y701-Q725 HydrophobicContact CE2-CB 4.11Å; Y701-Q725 HydrophobicContact CE2-CG 4.31Å; Y701-Q725 PolarHBondContact N-O 2.79Å; Y701-Q725 PolarHBondContact O-N 3.36Å; Y701-L727 HydrophobicContact CD1-CB 4.41Å; Y701-L727 HydrophobicContact CE1-CB 4.17Å; Y701-E737 WeakPolarHBondContact OH-CG 3.45Å; Y701-Q758 CarbonylContact C-O 3.52Å; Y701-Q758 WeakPolarHBondContact CA-O 3.43Å
702	N	90.9	Very high	83.9	Confident	37 Å²	37	74.8 Å²	74.8	20%	0.198	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	155	168.3	68	12.8	0	0	0	109.2	V757 Q758	N702-V757 WeakPolarHBondContact O-CA 3.39Å; N702-Q758 PolarHBondContact N-O 2.84Å; N702-Q758 PolarHBondContact ND2-OE1 3.4Å; N702-Q758 PolarHBondContact O-N 3.37Å; N702-Q758 WeakPolarHBondContact OD1-CB 3.32Å; N702-Q758 PolarHBondContact OD1-N 2.95Å; N702-Q758 PolarHBondContact OD1-O 3.33Å
703	V	90.3	Very high	84.1	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134	-179.3	-178.4	0	0	0	0	108.5	Y701 M716 I739 F755 V757	Y701-V703 HydrophobicContact CD2-CG2 3.79Å; Y701-V703 HydrophobicContact CE2-CG2 3.78Å; V703-M716 HydrophobicContact CB-CE 4.44Å; V703-M716 HydrophobicContact CG1-CE 3.96Å; V703-I739 HydrophobicContact CG1-CG2 4.32Å; V703-F755 HydrophobicContact CB-CE1 4.49Å; V703-F755 HydrophobicContact CG1-CD1 4Å; V703-F755 HydrophobicContact CG1-CE1 3.09Å; V703-F755 HydrophobicContact CG1-CE2 3.9Å; V703-F755 HydrophobicContact CG1-CZ 3.04Å; V703-V757 HydrophobicContact CG2-CG2 4.4Å
704	S	89.2	Confident	84.7	Confident	36 Å²	36	67.2 Å²	67.2	25%	0.252	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.8	-179.4	62.8	0	0	0	0	111.6	A756	S704-A756 PolarHBondContact N-O 3.45Å; S704-A756 PolarHBondContact O-N 3.34Å
705	I	88.4	Confident	85.1	Confident	28 Å²	28	63.9 Å²	63.9	14%	0.144	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.4	168.6	-60.2	171.9	0	0	0	106.3	E707 A714 F741 I753 F755	I705-E707 HydrophobicContact CG2-CB 4.41Å; I705-E707 PolarHBondContact O-N 2.81Å; I705-A714 HydrophobicContact CD1-CB 4.11Å; I705-A714 HydrophobicContact CG2-CB 4.18Å; I705-F741 HydrophobicContact CD1-CB 4.04Å; I705-F741 HydrophobicContact CD1-CD2 4.17Å; I705-F741 HydrophobicContact CD1-CG 4.14Å; I705-I753 HydrophobicContact CG2-CG2 3.66Å; I705-F755 HydrophobicContact CG1-CD2 3.82Å; I705-F755 HydrophobicContact CG1-CE2 4.05Å
706	L	83.2	Confident	85.3	Confident	82 Å²	82	61.7 Å²	61.7	43%	0.429	29%	0.292	S	S	.	.			trans	-80.9	65.2	-175.5	-62.9	-176.4	0	0	0	111.4	V754 A756 K779	L706-V754 HydrophobicContact CB-CB 4.27Å; L706-V754 HydrophobicContact CB-CG1 4.36Å; L706-V754 HydrophobicContact CD1-CG1 4.03Å; L706-V754 PolarHBondContact N-O 2.87Å; L706-A756 HydrophobicContact CD1-CB 3.74Å; L706-A756 HydrophobicContact CD2-CB 4.2Å; L706-A756 HydrophobicContact CG-CB 3.78Å; L706-K779 HydrophobicContact CD1-CD 4.33Å; L706-K779 HydrophobicContact CD1-CG 4.5Å
707	E	80.3	Confident	85.2	Confident	41 Å²	41	57.2 Å²	57.2	19%	0.192	27%	0.272	C	S	.	.			trans	-102.9	119	175.4	-168.8	63.6	-109.7	0	0	110.3	I705 R709 P712 R713	I705-E707 HydrophobicContact CG2-CB 4.41Å; I705-E707 PolarHBondContact O-N 2.81Å; E707-R709 HydrophobicContact CG-CB 4.36Å; E707-R709 WeakPolarHBondContact OE1-CD 3.37Å; E707-R709 WeakPolarHBondContact OE1-CG 3.4Å; E707-R709 IonicContact OE1-CZ 3.08Å; E707-R709 IonicContact OE1-NE 3.91Å; E707-R709 PolarHBondContact OE1-NE 2.88Å; E707-R709 IonicContact OE1-NH2 2.82Å; E707-P712 HydrophobicContact CB-CB 4.25Å; E707-P712 HydrophobicContact CG-CB 3.97Å; E707-R713 IonicContact OE1-NE 3.8Å; E707-R713 IonicContact OE1-NH2 3.69Å; E707-R713 IonicContact OE2-CZ 3.36Å; E707-R713 VanDerWaalsContact OE2-CZ 3.3Å; E707-R713 IonicContact OE2-NE 3.34Å; E707-R713 PolarHBondContact OE2-NE 3.13Å; E707-R713 IonicContact OE2-NH2 2.63Å; E707-R713 PolarHBondContact OE2-NH2 3.11Å
708	R	70.6	Confident	84.9	Confident	251 Å²	251	61.3 Å²	61.3	95%	0.947	29%	0.291	S	S	*	.			trans	-94.2	5.4	-174.8	-66.7	-176.9	176	175.9	-1.4	113.9
709	R	74.8	Confident	84.1	Confident	70 Å²	70	64.9 Å²	64.9	26%	0.264	31%	0.311	S	S	.	.	S	Bend	trans	-81.1	151.4	-177.8	-66	176.7	-148.6	-134.2	-5.4	111.1	E707 N711 R713 D748 R751	E707-R709 HydrophobicContact CG-CB 4.36Å; E707-R709 WeakPolarHBondContact OE1-CD 3.37Å; E707-R709 WeakPolarHBondContact OE1-CG 3.4Å; E707-R709 IonicContact OE1-CZ 3.08Å; E707-R709 IonicContact OE1-NE 3.91Å; E707-R709 PolarHBondContact OE1-NE 2.88Å; E707-R709 IonicContact OE1-NH2 2.82Å; R709-N711 VanDerWaalsContact C-N 3.27Å; R709-N711 WeakPolarHBondContact CB-O 3.09Å; R709-N711 PolarHBondContact O-N 3.25Å; R709-R713 VanDerWaalsContact CZ-NE 3.29Å; R709-R713 VanDerWaalsContact NH2-NE 3.19Å; R709-D748 IonicContact CZ-OD2 3.87Å; R709-D748 IonicContact NH1-OD2 3.13Å; R709-D748 PolarHBondContact NH1-OD2 2.95Å; R709-D748 VanDerWaalsContact NH2-CG 3.33Å; R709-D748 IonicContact NH2-OD1 3.38Å; R709-D748 IonicContact NH2-OD2 2.84Å; R709-D748 PolarHBondContact NH2-OD2 3.26Å; R709-R751 VanDerWaalsContact NH2-CZ 3.28Å; R709-R751 VanDerWaalsContact NH2-NE 3.17Å
710	F	73.3	Confident	83	Confident	201 Å²	201	68.3 Å²	68.3	88%	0.882	34%	0.335	S	S	*	.	S	Bend	trans	-59.3	-39.8	171.7	-172.3	-96.7	0	0	0	111.9
711	N	76.8	Confident	82	Confident	126 Å²	126	64 Å²	64	67%	0.674	32%	0.319	S	S	*	.	S	Bend	trans	-108	104.8	169.1	-68.5	-20.8	0	0	0	108.9	R709	R709-N711 VanDerWaalsContact C-N 3.27Å; R709-N711 WeakPolarHBondContact CB-O 3.09Å; R709-N711 PolarHBondContact O-N 3.25Å
712	P	83.5	Confident	80.8	Confident	57 Å²	57	68.3 Å²	68.3	37%	0.37	34%	0.341	S	S	.	.			trans	-68.3	140	-179	27.5	-34.1	0	0	0	111.1	E707 V715	E707-P712 HydrophobicContact CB-CB 4.25Å; E707-P712 HydrophobicContact CG-CB 3.97Å; P712-V715 HydrophobicContact CB-CG2 4.38Å; P712-V715 HydrophobicContact CG-CG2 3.86Å
713	R	87.3	Confident	80.2	Confident	12 Å²	12	72.9 Å²	72.9	5%	0.045	36%	0.361	C	S	.	.	S	Bend	trans	-76.4	-33.1	179.2	-64	179.3	-67.7	165.1	6.9	112	E707 R709 V743 M744 T746 D748 R751	E707-R713 IonicContact OE1-NE 3.8Å; E707-R713 IonicContact OE1-NH2 3.69Å; E707-R713 IonicContact OE2-CZ 3.36Å; E707-R713 VanDerWaalsContact OE2-CZ 3.3Å; E707-R713 IonicContact OE2-NE 3.34Å; E707-R713 PolarHBondContact OE2-NE 3.13Å; E707-R713 IonicContact OE2-NH2 2.63Å; E707-R713 PolarHBondContact OE2-NH2 3.11Å; R709-R713 VanDerWaalsContact CZ-NE 3.29Å; R709-R713 VanDerWaalsContact NH2-NE 3.19Å; R713-V743 CarbonylContact O-C 3.6Å; R713-V743 WeakPolarHBondContact O-CA 3.46Å; R713-V743 WeakPolarHBondContact O-CG1 3.33Å; R713-M744 PolarHBondContact O-N 3.26Å; R713-T746 HydrophobicContact CB-CG2 4.4Å; R713-T746 WeakPolarHBondContact CD-OG1 2.95Å; R713-T746 HydrophobicContact CG-CG2 4.19Å; R713-T746 WeakPolarHBondContact CG-OG1 3.45Å; R713-D748 PolarHBondContact NH1-O 3.11Å; R713-D748 IonicContact NH1-OD1 3.12Å; R713-R751 PolarHBondContact NH1-O 3.42Å; R713-R751 PolarHBondContact NH2-O 3.04Å; R713-R751 VanDerWaalsContact NH2-O 3.17Å
714	A	88.4	Confident	79.9	Confident	4 Å²	4	75.7 Å²	75.7	3%	0.033	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.5	175.5	0	0	0	0	0	109.6	I705 F741 H742 V743 I753	I705-A714 HydrophobicContact CD1-CB 4.11Å; I705-A714 HydrophobicContact CG2-CB 4.18Å; A714-F741 HydrophobicContact CB-CD2 4.14Å; A714-F741 HydrophobicContact CB-CE2 4.45Å; A714-H742 CarbonylContact C-O 3.17Å; A714-H742 VanDerWaalsContact CA-O 3.31Å; A714-H742 WeakPolarHBondContact CA-O 3.31Å; A714-V743 HydrophobicContact CB-CG2 4.25Å; A714-I753 HydrophobicContact CB-CD1 3.77Å; A714-I753 HydrophobicContact CB-CG1 4.23Å; A714-I753 HydrophobicContact CB-CG2 4.02Å
715	V	87.4	Confident	79.7	Confident	51 Å²	51	77.1 Å²	77.1	31%	0.309	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	133	-174.9	-178.9	0	0	0	0	108.9	P712 F741 H742 M744	P712-V715 HydrophobicContact CB-CG2 4.38Å; P712-V715 HydrophobicContact CG-CG2 3.86Å; V715-F741 WeakPolarHBondContact O-CA 3.36Å; V715-F741 WeakPolarHBondContact O-CB 3.37Å; V715-H742 PolarHBondContact N-O 2.68Å; V715-H742 PolarHBondContact O-N 2.93Å; V715-H742 PolarHBondContact O-ND1 3.33Å; V715-M744 HydrophobicContact CG2-CG 4.43Å
716	M	87.9	Confident	79.8	Confident	14 Å²	14	79.8 Å²	79.8	7%	0.069	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132.1	177.1	-161.9	72.1	94.7	0	0	110.5	V703 Q718 M722 I739 Y740 F741 F755	V703-M716 HydrophobicContact CB-CE 4.44Å; V703-M716 HydrophobicContact CG1-CE 3.96Å; M716-Q718 VanDerWaalsContact C-N 3.3Å; M716-Q718 WeakPolarHBondContact CG-O 3.29Å; M716-Q718 PolarHBondContact O-N 2.05Å; M716-M722 HydrophobicContact CB-CG 4.18Å; M716-M722 HydrophobicContact CB-SD 4.08Å; M716-M722 HydrophobicContact CE-CG 4.28Å; M716-M722 HydrophobicContact CG-CG 4.24Å; M716-I739 HydrophobicContact CE-CG2 3.26Å; M716-I739 HydrophobicContact SD-CG2 3.24Å; M716-I739 WeakPolarHBondContact SD-CG2 3.3Å; M716-Y740 VanDerWaalsContact SD-O 3.41Å; M716-F741 HydrophobicContact SD-CB 4.1Å; M716-F755 HydrophobicContact CE-CE2 4.45Å
717	D	85	Confident	80.2	Confident	35 Å²	35	77.2 Å²	77.2	19%	0.187	38%	0.384	C	S	.	.	S	Bend	trans	-67.9	-35.6	179.1	-78	5.2	0	0	0	111.4	R669 P719 Y740 H742	R669-D717 IonicContact CZ-OD2 3.57Å; R669-D717 VanDerWaalsContact CZ-OD2 3.3Å; R669-D717 IonicContact NE-OD1 3.62Å; R669-D717 IonicContact NE-OD2 3.53Å; R669-D717 PolarHBondContact NE-OD2 3.49Å; R669-D717 VanDerWaalsContact NE-OD2 3.09Å; R669-D717 IonicContact NH2-OD2 3.63Å; R669-D717 PolarHBondContact NH2-OD2 2.77Å; D717-P719 WeakPolarHBondContact O-CD 3.37Å; D717-Y740 WeakPolarHBondContact CB-O 3.06Å; D717-Y740 PolarHBondContact N-O 3.04Å; D717-H742 IonicContact OD1-CE1 3.97Å; D717-H742 IonicContact OD1-CG 2.75Å; D717-H742 IonicContact OD1-ND1 3.84Å; D717-H742 PolarHBondContact OD1-ND1 2.97Å
718	Q	81.7	Confident	80.7	Confident	91 Å²	91	79.1 Å²	79.1	43%	0.425	40%	0.398	S	S	.	.			trans	-115.2	93.1	179.1	-67.8	-179.4	-4.8	0	0	109.5	M716 S720 K721	M716-Q718 VanDerWaalsContact C-N 3.3Å; M716-Q718 WeakPolarHBondContact CG-O 3.29Å; M716-Q718 PolarHBondContact O-N 2.05Å; Q718-S720 PolarHBondContact O-N 3.45Å; Q718-S720 VanDerWaalsContact O-N 3.11Å; Q718-K721 HydrophobicContact CB-CB 4.49Å; Q718-K721 HydrophobicContact CB-CG 4.08Å; Q718-K721 WeakPolarHBondContact O-CB 3.35Å; Q718-K721 PolarHBondContact O-N 2.91Å
719	P	73.1	Confident	81.6	Confident	93 Å²	93	67.8 Å²	67.8	60%	0.604	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-62.1	-19.1	178.5	21.8	-31.4	0	0	0	113.1	D717 K721 M722	D717-P719 WeakPolarHBondContact O-CD 3.37Å; P719-K721 VanDerWaalsContact C-N 3.25Å; P719-K721 PolarHBondContact O-N 2.86Å; P719-M722 WeakPolarHBondContact O-CB 3.3Å; P719-M722 PolarHBondContact O-N 2.81Å; P719-M722 VanDerWaalsContact O-N 3.13Å
720	S	68.7	Low	82.2	Confident	71 Å²	71	68.3 Å²	68.3	50%	0.497	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-61.2	-30.7	169.7	52.4	0	0	0	0	113.1	Q718 M722 Q723	Q718-S720 PolarHBondContact O-N 3.45Å; Q718-S720 VanDerWaalsContact O-N 3.11Å; S720-M722 PolarHBondContact O-N 3.02Å; S720-Q723 WeakPolarHBondContact O-CB 3.37Å; S720-Q723 PolarHBondContact O-N 2.9Å
721	K	69.6	Low	82.7	Confident	35 Å²	35	60.8 Å²	60.8	15%	0.152	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-74.6	-7.7	175.4	-66.5	-150.1	178.9	-161.9	0	113.8	Q718 P719 Q723 E737 H738 I739	Q718-K721 HydrophobicContact CB-CB 4.49Å; Q718-K721 HydrophobicContact CB-CG 4.08Å; Q718-K721 WeakPolarHBondContact O-CB 3.35Å; Q718-K721 PolarHBondContact O-N 2.91Å; P719-K721 VanDerWaalsContact C-N 3.25Å; P719-K721 PolarHBondContact O-N 2.86Å; K721-Q723 VanDerWaalsContact C-N 3.35Å; K721-E737 IonicContact NZ-OE2 3.2Å; K721-H738 PolarHBondContact NZ-O 2.98Å; K721-I739 HydrophobicContact CB-CD1 4.48Å; K721-I739 HydrophobicContact CD-CD1 3.52Å
722	M	67.4	Low	82.9	Confident	97 Å²	97	57.6 Å²	57.6	48%	0.478	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-82.6	-14.9	169.9	-62.3	-177.2	64.2	0	0	112.6	M716 P719 S720	M716-M722 HydrophobicContact CB-CG 4.18Å; M716-M722 HydrophobicContact CB-SD 4.08Å; M716-M722 HydrophobicContact CE-CG 4.28Å; M716-M722 HydrophobicContact CG-CG 4.24Å; P719-M722 WeakPolarHBondContact O-CB 3.3Å; P719-M722 PolarHBondContact O-N 2.81Å; P719-M722 VanDerWaalsContact O-N 3.13Å; S720-M722 PolarHBondContact O-N 3.02Å
723	Q	78.3	Confident	82.9	Confident	134 Å²	134	56.1 Å²	56.1	63%	0.626	33%	0.326	S	S	*	.	S	Bend	trans	-77.3	153.2	170.4	-64.1	-172.3	-8.7	0	0	110.2	S720 K721 Q725	S720-Q723 WeakPolarHBondContact O-CB 3.37Å; S720-Q723 PolarHBondContact O-N 2.9Å; K721-Q723 VanDerWaalsContact C-N 3.35Å; Q723-Q725 PolarHBondContact O-N 2.87Å
724	P	82.5	Confident	83	Confident	61 Å²	61	61.8 Å²	61.8	40%	0.396	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-57.5	122.9	176.4	-24.7	34.5	0	0	0	112	R700 Y701	R700-P724 HydrophobicContact CG-CB 3.86Å; Y701-P724 CarbonylContact O-C 3.55Å; Y701-P724 WeakPolarHBondContact O-CA 3.41Å
725	Q	86.6	Confident	83.2	Confident	65 Å²	65	62.9 Å²	62.9	30%	0.304	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	153.3	176.4	-63.2	-82.8	-27	0	0	109.6	R700 Y701 Q723	R700-Q725 CarbonylContact C-O 3.27Å; R700-Q725 VanDerWaalsContact CA-O 3.27Å; R700-Q725 WeakPolarHBondContact CA-O 3.44Å; Y701-Q725 HydrophobicContact CD1-CB 4.03Å; Y701-Q725 HydrophobicContact CE1-CB 3.49Å; Y701-Q725 VanDerWaalsContact CE1-CB 3.49Å; Y701-Q725 HydrophobicContact CE1-CG 4.43Å; Y701-Q725 HydrophobicContact CE2-CB 4.11Å; Y701-Q725 HydrophobicContact CE2-CG 4.31Å; Y701-Q725 PolarHBondContact N-O 2.79Å; Y701-Q725 PolarHBondContact O-N 3.36Å; Q723-Q725 PolarHBondContact O-N 2.87Å
726	N	90.2	Very high	83.5	Confident	84 Å²	84	63.1 Å²	63.1	45%	0.449	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.6	175.9	-61.3	-1.6	0	0	0	109.5	I699 E762	I699-N726 CarbonylContact O-C 3.49Å; I699-N726 WeakPolarHBondContact O-CA 3.47Å; N726-E762 PolarHBondContact ND2-OE1 3.46Å
727	L	90.1	Very high	83.6	Confident	29 Å²	29	65.7 Å²	65.7	15%	0.152	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	131.6	179.4	177.6	65	0	0	0	108.8	F683 I699 Y701 L729 A735	F683-L727 HydrophobicContact CB-CD2 4.42Å; F683-L727 HydrophobicContact CD2-CD2 3.66Å; F683-L727 HydrophobicContact CE2-CD2 4.35Å; F683-L727 HydrophobicContact CG-CD2 4.35Å; I699-L727 HydrophobicContact CD1-CD2 4.24Å; I699-L727 HydrophobicContact CG1-CB 3.93Å; I699-L727 HydrophobicContact CG1-CG 4.45Å; I699-L727 WeakPolarHBondContact CG1-O 3.24Å; I699-L727 PolarHBondContact N-O 3.11Å; I699-L727 PolarHBondContact O-N 2.8Å; Y701-L727 HydrophobicContact CD1-CB 4.41Å; Y701-L727 HydrophobicContact CE1-CB 4.17Å; L727-L729 HydrophobicContact CD2-CD1 3.86Å; L727-L729 HydrophobicContact CD2-CG 4.3Å; L727-L729 HydrophobicContact CG-CD1 4.16Å; L727-L729 HydrophobicContact CG-CG 4.14Å; L727-A735 HydrophobicContact CD1-CB 4.36Å; L727-A735 HydrophobicContact CD2-CB 4.13Å
728	T	90.8	Very high	83.9	Confident	80 Å²	80	67.6 Å²	67.6	49%	0.491	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.1	176.3	51.2	0	0	0	0	110.3
729	L	90.3	Very high	84.4	Confident	13 Å²	13	63.3 Å²	63.3	7%	0.068	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.1	-174.5	-77	163.4	0	0	0	110.6	F683 I685 I697 I699 L727 A735	F683-L729 HydrophobicContact CB-CD1 3.89Å; I685-L729 HydrophobicContact CD1-CB 3.74Å; I685-L729 HydrophobicContact CD1-CD1 4.17Å; I685-L729 HydrophobicContact CG1-CB 4.38Å; I685-L729 HydrophobicContact CG1-CD1 4.29Å; I697-L729 PolarHBondContact N-O 3.46Å; I697-L729 PolarHBondContact O-N 2.73Å; I699-L729 HydrophobicContact CD1-CD1 3.97Å; I699-L729 HydrophobicContact CG1-CD1 4.47Å; L727-L729 HydrophobicContact CD2-CD1 3.86Å; L727-L729 HydrophobicContact CD2-CG 4.3Å; L727-L729 HydrophobicContact CG-CD1 4.16Å; L727-L729 HydrophobicContact CG-CG 4.14Å; L729-A735 HydrophobicContact CD2-CB 3.47Å; L729-A735 VanDerWaalsContact CD2-CB 3.47Å; L729-A735 HydrophobicContact CG-CB 4.43Å
730	L	88.2	Confident	85.2	Confident	82 Å²	82	64.4 Å²	64.4	43%	0.429	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	150.7	165.6	-68.5	170.5	0	0	0	110.1	E696 G732 G733	E696-L730 HydrophobicContact CG-CD2 3.67Å; E696-L730 HydrophobicContact CG-CG 4.26Å; L730-G732 PolarHBondContact O-N 3.04Å; L730-G733 PolarHBondContact O-N 2.86Å
731	T	83.6	Confident	86.2	Confident	42 Å²	42	61 Å²	61	26%	0.258	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	126.7	173.8	51.4	0	0	0	0	110.9	A687 I691 I697 G733	A687-T731 HydrophobicContact CB-CG2 4.32Å; I691-T731 HydrophobicContact CD1-CG2 4.49Å; I691-T731 HydrophobicContact CG2-CG2 4.13Å; I697-T731 HydrophobicContact CD1-CG2 3.69Å; T731-G733 VanDerWaalsContact C-N 3.31Å
732	G	80.4	Confident	87.2	Confident	59 Å²	59	60.3 Å²	60.3	61%	0.608	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-5.1	-175.4	0	0	0	0	0	115.2	I685 L730	I685-G732 PolarHBondContact O-N 3.09Å; L730-G732 PolarHBondContact O-N 3.04Å
733	G	83.4	Confident	88.2	Confident	26 Å²	26	55.8 Å²	55.8	27%	0.268	31%	0.309	S	S	.	.			trans	-80.5	152	171.8	0	0	0	0	0	112.4	N684 L730 T731	N684-G733 PolarHBondContact OD1-O 2.89Å; L730-G733 PolarHBondContact O-N 2.86Å; T731-G733 VanDerWaalsContact C-N 3.31Å
734	E	90.1	Very high	88.3	Confident	131 Å²	131	52 Å²	52	61%	0.612	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.5	172.6	-175.4	176.1	-120.1	0	0	109.8	C682 F683	C682-E734 HydrophobicContact CB-CG 4.24Å; F683-E734 VanDerWaalsContact O-CA 3.3Å; F683-E734 WeakPolarHBondContact O-CA 3.43Å
735	A	92.8	Very high	87.9	Confident	28 Å²	28	56 Å²	56	23%	0.231	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.6	167.3	0	0	0	0	0	110.8	C682 F683 L727 L729	C682-A735 CarbonylContact C-O 3.58Å; C682-A735 WeakPolarHBondContact CA-O 3.45Å; F683-A735 PolarHBondContact N-O 3.2Å; F683-A735 PolarHBondContact O-N 2.83Å; F683-A735 VanDerWaalsContact O-N 3.1Å; L727-A735 HydrophobicContact CD1-CB 4.36Å; L727-A735 HydrophobicContact CD2-CB 4.13Å; L729-A735 HydrophobicContact CD2-CB 3.47Å; L729-A735 VanDerWaalsContact CD2-CB 3.47Å; L729-A735 HydrophobicContact CG-CB 4.43Å
736	C	92.8	Very high	87.3	Confident	55 Å²	55	53.7 Å²	53.7	37%	0.372	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.4	-175.2	-56.8	0	0	0	0	111.8	I680 V681 C682	I680-C736 HydrophobicContact CG2-CB 4.04Å; V681-C736 CarbonylContact O-C 3.5Å; V681-C736 VanDerWaalsContact O-CA 3.23Å; V681-C736 WeakPolarHBondContact O-CA 3.02Å; C682-C736 HydrophobicContact CB-CB 4.12Å; C682-C736 WeakPolarHBondContact CB-SG 3.33Å; C682-C736 WeakPolarHBondContact SG-CB 3.39Å; C682-C736 CovalentContact SG-SG 2.05Å; C682-C736 PolarHBondContact SG-SG 2.82Å
737	E	91.3	Very high	86.1	Confident	68 Å²	68	56.5 Å²	56.5	32%	0.318	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.7	-179.3	-82	-71.3	153.2	0	0	111	V681 Y701 K721	V681-E737 PolarHBondContact N-O 2.97Å; V681-E737 PolarHBondContact O-N 2.86Å; Y701-E737 WeakPolarHBondContact OH-CG 3.45Å; K721-E737 IonicContact NZ-OE2 3.2Å
738	H	90.7	Very high	84.9	Confident	75 Å²	75	56.3 Å²	56.3	35%	0.347	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.4	177.4	-74.1	-105.3	0	0	0	110.8	K721 Y740	K721-H738 PolarHBondContact NZ-O 2.98Å; H738-Y740 HydrophobicContact CB-CE2 4.07Å
739	I	90.9	Very high	83.8	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	109.4	-177.6	-52.1	-62.3	0	0	0	109	S678 A679 V681 V703 M716 K721 F755	S678-I739 CarbonylContact C-O 3.57Å; S678-I739 WeakPolarHBondContact CA-O 3.02Å; A679-I739 HydrophobicContact CB-CB 4.37Å; A679-I739 PolarHBondContact N-O 2.01Å; A679-I739 WeakPolarHBondContact O-CB 3.44Å; A679-I739 PolarHBondContact O-N 2.76Å; V681-I739 HydrophobicContact CG2-CG1 4.03Å; V703-I739 HydrophobicContact CG1-CG2 4.32Å; M716-I739 HydrophobicContact CE-CG2 3.26Å; M716-I739 HydrophobicContact SD-CG2 3.24Å; M716-I739 WeakPolarHBondContact SD-CG2 3.3Å; K721-I739 HydrophobicContact CB-CD1 4.48Å; K721-I739 HydrophobicContact CD-CD1 3.52Å; I739-F755 HydrophobicContact CB-CZ 4.12Å; I739-F755 HydrophobicContact CG2-CE2 4.41Å; I739-F755 HydrophobicContact CG2-CZ 3.87Å
740	Y	90.5	Very high	82.4	Confident	116 Å²	116	57.7 Å²	57.7	46%	0.455	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.6	-177.7	-59.9	-80.5	0	0	0	111.7	M716 D717 H738	M716-Y740 VanDerWaalsContact SD-O 3.41Å; D717-Y740 WeakPolarHBondContact CB-O 3.06Å; D717-Y740 PolarHBondContact N-O 3.04Å; H738-Y740 HydrophobicContact CB-CE2 4.07Å
741	F	90.9	Very high	81.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	161.6	177.2	67.8	-82.2	0	0	0	110.1	F655 M677 A679 I705 A714 V715 M716 V743 F755 L783	F655-F741 HydrophobicContact CD1-CE1 4.22Å; F655-F741 HydrophobicContact CD1-CZ 4.18Å; F655-F741 HydrophobicContact CE1-CE1 4.43Å; F655-F741 HydrophobicContact CE1-CZ 4.37Å; M677-F741 CarbonylContact C-O 3.59Å; M677-F741 HydrophobicContact CB-CD1 4.24Å; M677-F741 HydrophobicContact CB-CD2 4.15Å; M677-F741 HydrophobicContact CB-CE1 3.73Å; M677-F741 HydrophobicContact CB-CE2 3.64Å; M677-F741 HydrophobicContact CB-CG 4.43Å; M677-F741 HydrophobicContact CB-CZ 3.41Å; M677-F741 VanDerWaalsContact CB-CZ 3.41Å; M677-F741 HydrophobicContact CG-CE2 4.16Å; M677-F741 HydrophobicContact CG-CZ 4.22Å; M677-F741 PolarHBondContact N-O 3.33Å; M677-F741 PolarHBondContact O-N 3Å; M677-F741 HydrophobicContact SD-CE2 3.94Å; M677-F741 HydrophobicContact SD-CZ 4Å; A679-F741 HydrophobicContact CB-CE1 4.03Å; I705-F741 HydrophobicContact CD1-CB 4.04Å; I705-F741 HydrophobicContact CD1-CD2 4.17Å; I705-F741 HydrophobicContact CD1-CG 4.14Å; A714-F741 HydrophobicContact CB-CD2 4.14Å; A714-F741 HydrophobicContact CB-CE2 4.45Å; V715-F741 WeakPolarHBondContact O-CA 3.36Å; V715-F741 WeakPolarHBondContact O-CB 3.37Å; M716-F741 HydrophobicContact SD-CB 4.1Å; F741-V743 HydrophobicContact CE2-CG2 4.25Å; F741-F755 HydrophobicContact CD1-CE2 4.44Å; F741-L783 HydrophobicContact CE2-CD2 3.97Å; F741-L783 HydrophobicContact CZ-CD2 3.62Å
742	H	89.8	Confident	81.5	Confident	21 Å²	21	60.3 Å²	60.3	10%	0.097	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.3	176.4	61.4	-80.1	0	0	0	111.2	R669 V674 T675 A714 V715 D717	R669-H742 HydrophobicContact CG-CB 4.47Å; V674-H742 HydrophobicContact CB-CB 4.29Å; V674-H742 HydrophobicContact CG2-CB 3.77Å; T675-H742 CarbonylContact O-C 3.43Å; T675-H742 VanDerWaalsContact O-CA 3.3Å; T675-H742 WeakPolarHBondContact O-CA 3.5Å; A714-H742 CarbonylContact C-O 3.17Å; A714-H742 VanDerWaalsContact CA-O 3.31Å; A714-H742 WeakPolarHBondContact CA-O 3.31Å; V715-H742 PolarHBondContact N-O 2.68Å; V715-H742 PolarHBondContact O-N 2.93Å; V715-H742 PolarHBondContact O-ND1 3.33Å; D717-H742 IonicContact OD1-CE1 3.97Å; D717-H742 IonicContact OD1-CG 2.75Å; D717-H742 IonicContact OD1-ND1 3.84Å; D717-H742 PolarHBondContact OD1-ND1 2.97Å
743	V	88.2	Confident	81.7	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123	175.7	-171.8	0	0	0	0	109.5	V660 T675 M677 R713 A714 F741 I753 F785	V660-V743 HydrophobicContact CG1-CB 3.9Å; V660-V743 HydrophobicContact CG1-CG1 3.94Å; V660-V743 HydrophobicContact CG1-CG2 3.75Å; V660-V743 HydrophobicContact CG2-CG2 4.37Å; T675-V743 PolarHBondContact N-O 2.87Å; T675-V743 PolarHBondContact O-N 3.5Å; M677-V743 HydrophobicContact CG-CG2 4.45Å; M677-V743 HydrophobicContact SD-CG2 4.01Å; R713-V743 CarbonylContact O-C 3.6Å; R713-V743 WeakPolarHBondContact O-CA 3.46Å; R713-V743 WeakPolarHBondContact O-CG1 3.33Å; A714-V743 HydrophobicContact CB-CG2 4.25Å; F741-V743 HydrophobicContact CE2-CG2 4.25Å; V743-I753 HydrophobicContact CG1-CD1 4.25Å; V743-I753 HydrophobicContact CG2-CD1 3.83Å; V743-F785 HydrophobicContact CG1-CE1 4.04Å; V743-F785 HydrophobicContact CG1-CZ 4.29Å
744	M	81.2	Confident	81.8	Confident	53 Å²	53	58.3 Å²	58.3	26%	0.261	30%	0.297	S	S	.	.			trans	-78	154	176	-63.3	-68.6	-75.5	0	0	110.3	K672 V674 R713 V715 T746	K672-M744 HydrophobicContact CD-CE 4.01Å; V674-M744 HydrophobicContact CG1-SD 3.76Å; R713-M744 PolarHBondContact O-N 3.26Å; V715-M744 HydrophobicContact CG2-CG 4.43Å; M744-T746 PolarHBondContact O-N 2.83Å
745	E	73.6	Confident	81.8	Confident	147 Å²	147	52.1 Å²	52.1	69%	0.687	27%	0.268	S	S	*	.			trans	-59.6	124	173.2	-164.2	167.7	165.3	0	0	110.6	K665	K665-E745 IonicContact NZ-OE2 2.75Å; K665-E745 PolarHBondContact NZ-OE2 2.51Å
746	T	72.8	Confident	81.6	Confident	16 Å²	16	51 Å²	51	10%	0.098	26%	0.259	C	S	.	.			trans	-141.4	140.7	-169.1	169.4	0	0	0	0	109.2	R713 M744 D748 Y749 F785	R713-T746 HydrophobicContact CB-CG2 4.4Å; R713-T746 WeakPolarHBondContact CD-OG1 2.95Å; R713-T746 HydrophobicContact CG-CG2 4.19Å; R713-T746 WeakPolarHBondContact CG-OG1 3.45Å; M744-T746 PolarHBondContact O-N 2.83Å; T746-D748 PolarHBondContact O-N 3.21Å; T746-D748 PolarHBondContact OG1-N 2.9Å; T746-D748 VanDerWaalsContact OG1-N 3.14Å; T746-Y749 HydrophobicContact CG2-CD1 4.2Å; T746-Y749 HydrophobicContact CG2-CE1 4.06Å; T746-Y749 WeakPolarHBondContact O-CE1 3.42Å; T746-Y749 WeakPolarHBondContact O-CE2 3.06Å; T746-Y749 PolarHBondContact O-OH 2.86Å; T746-F785 HydrophobicContact CG2-CE1 4.15Å; T746-F785 HydrophobicContact CG2-CZ 4.35Å
747	T	65.8	Low	81.5	Confident	143 Å²	143	48.3 Å²	48.3	88%	0.877	24%	0.241	S	C	*	.	S	Bend	trans	-80.5	-5.9	174.4	51.7	0	0	0	0	113.5
748	D	65.3	Low	81.5	Confident	25 Å²	25	48.4 Å²	48.4	13%	0.134	24%	0.242	C	C	.	.			trans	-108.4	90.9	-178.2	-173	-19.4	0	0	0	111.3	R709 R713 T746 A750 R751	R709-D748 IonicContact CZ-OD2 3.87Å; R709-D748 IonicContact NH1-OD2 3.13Å; R709-D748 PolarHBondContact NH1-OD2 2.95Å; R709-D748 VanDerWaalsContact NH2-CG 3.33Å; R709-D748 IonicContact NH2-OD1 3.38Å; R709-D748 IonicContact NH2-OD2 2.84Å; R709-D748 PolarHBondContact NH2-OD2 3.26Å; R713-D748 PolarHBondContact NH1-O 3.11Å; R713-D748 IonicContact NH1-OD1 3.12Å; T746-D748 PolarHBondContact O-N 3.21Å; T746-D748 PolarHBondContact OG1-N 2.9Å; T746-D748 VanDerWaalsContact OG1-N 3.14Å; D748-A750 PolarHBondContact OD1-N 3.28Å; D748-R751 PolarHBondContact OD1-N 3.06Å; D748-R751 IonicContact OD1-NE 2.73Å; D748-R751 IonicContact OD2-CZ 2.69Å; D748-R751 IonicContact OD2-NE 2.78Å; D748-R751 PolarHBondContact OD2-NE 2.89Å; D748-R751 IonicContact OD2-NH2 2.73Å; D748-R751 PolarHBondContact OD2-NH2 2.91Å
749	Y	66.6	Low	81.5	Confident	67 Å²	67	45.2 Å²	45.2	26%	0.263	23%	0.227	S	C	.	.			trans	-95	-7.7	175.9	-46.3	-68.4	0	0	0	112.9	I662 T746 F785	I662-Y749 HydrophobicContact CB-CD1 4.44Å; I662-Y749 HydrophobicContact CB-CE1 3.92Å; I662-Y749 HydrophobicContact CD1-CD1 3.97Å; I662-Y749 HydrophobicContact CD1-CE1 3.16Å; I662-Y749 HydrophobicContact CD1-CE2 4.28Å; I662-Y749 WeakPolarHBondContact CD1-OH 3.35Å; I662-Y749 HydrophobicContact CG1-CD1 3.7Å; I662-Y749 HydrophobicContact CG1-CE1 3.29Å; I662-Y749 HydrophobicContact CG2-CD1 4.11Å; I662-Y749 HydrophobicContact CG2-CE1 3.91Å; T746-Y749 HydrophobicContact CG2-CD1 4.2Å; T746-Y749 HydrophobicContact CG2-CE1 4.06Å; T746-Y749 WeakPolarHBondContact O-CE1 3.42Å; T746-Y749 WeakPolarHBondContact O-CE2 3.06Å; T746-Y749 PolarHBondContact O-OH 2.86Å; Y749-F785 AromaticContact CD1-CD1 3.9Å; Y749-F785 HydrophobicContact CD1-CD1 3.9Å; Y749-F785 HydrophobicContact CD1-CE1 4.22Å; Y749-F785 WeakPolarHBondContact O-CB 3.26Å; Y749-F785 VanDerWaalsContact O-CD2 3.29Å; Y749-F785 WeakPolarHBondContact O-CD2 3.41Å
750	A	61	Low	81.4	Confident	55 Å²	55	46.1 Å²	46.1	46%	0.455	24%	0.236	S	C	.	.	S	Bend	trans	-81.4	-32.7	-175.2	0	0	0	0	0	112.9	D748	D748-A750 PolarHBondContact OD1-N 3.28Å
751	R	73.5	Confident	81.3	Confident	147 Å²	147	41.5 Å²	41.5	56%	0.555	22%	0.22	S	C	*	.	S	Bend	trans	-91.2	121.3	-179.9	-72.4	-174.9	-73.9	-171.2	-4.4	111.4	R709 R713 D748 F785	R709-R751 VanDerWaalsContact NH2-CZ 3.28Å; R709-R751 VanDerWaalsContact NH2-NE 3.17Å; R713-R751 PolarHBondContact NH1-O 3.42Å; R713-R751 PolarHBondContact NH2-O 3.04Å; R713-R751 VanDerWaalsContact NH2-O 3.17Å; D748-R751 PolarHBondContact OD1-N 3.06Å; D748-R751 IonicContact OD1-NE 2.73Å; D748-R751 IonicContact OD2-CZ 2.69Å; D748-R751 IonicContact OD2-NE 2.78Å; D748-R751 PolarHBondContact OD2-NE 2.89Å; D748-R751 IonicContact OD2-NH2 2.73Å; D748-R751 PolarHBondContact OD2-NH2 2.91Å; R751-F785 WeakPolarHBondContact O-CE2 3.41Å
752	P	79.1	Confident	81.1	Confident	32 Å²	32	45.4 Å²	45.4	21%	0.208	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-67.5	160.3	178.8	22.4	-26.9	0	0	0	112.5	Q782 L783	P752-Q782 HydrophobicContact CB-CB 3.51Å; P752-Q782 HydrophobicContact CB-CG 4.13Å; P752-Q782 HydrophobicContact CG-CB 3.37Å; P752-Q782 HydrophobicContact CG-CG 3.52Å; P752-L783 CarbonylContact C-O 3.54Å; P752-L783 VanDerWaalsContact CA-O 3.23Å; P752-L783 WeakPolarHBondContact CA-O 3.16Å; P752-L783 WeakPolarHBondContact CB-O 3.43Å
753	I	84.7	Confident	80.6	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-85	127.6	175.4	-65.9	156.3	0	0	0	108.1	V660 I705 A714 V743 L783 F785	V660-I753 HydrophobicContact CG2-CD1 4.12Å; I705-I753 HydrophobicContact CG2-CG2 3.66Å; A714-I753 HydrophobicContact CB-CD1 3.77Å; A714-I753 HydrophobicContact CB-CG1 4.23Å; A714-I753 HydrophobicContact CB-CG2 4.02Å; V743-I753 HydrophobicContact CG1-CD1 4.25Å; V743-I753 HydrophobicContact CG2-CD1 3.83Å; I753-L783 HydrophobicContact CB-CB 4.23Å; I753-L783 HydrophobicContact CB-CD2 4.36Å; I753-L783 HydrophobicContact CD1-CD2 4.48Å; I753-L783 PolarHBondContact N-O 3.34Å; I753-L783 WeakPolarHBondContact O-CB 3.21Å; I753-L783 PolarHBondContact O-N 3.42Å; I753-F785 HydrophobicContact CD1-CE2 4.2Å; I753-F785 HydrophobicContact CD1-CZ 3.84Å; I753-F785 HydrophobicContact CG1-CE2 4.22Å; I753-F785 HydrophobicContact CG1-CZ 4.23Å
754	V	86.6	Confident	79.9	Confident	41 Å²	41	54.7 Å²	54.7	25%	0.248	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-101	120.5	179.1	-178.7	0	0	0	0	109.3	L706	L706-V754 HydrophobicContact CB-CB 4.27Å; L706-V754 HydrophobicContact CB-CG1 4.36Å; L706-V754 HydrophobicContact CD1-CG1 4.03Å; L706-V754 PolarHBondContact N-O 2.87Å
755	F	88.9	Confident	79.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.7	175.3	-158.7	-93.9	0	0	0	108.6	V653 F655 A679 V681 V703 I705 M716 I739 F741 V757 T780	V653-F755 HydrophobicContact CG1-CD1 3.96Å; V653-F755 HydrophobicContact CG1-CE1 4.14Å; V653-F755 HydrophobicContact CG2-CD1 4.46Å; F655-F755 HydrophobicContact CE1-CB 3.99Å; F655-F755 HydrophobicContact CE1-CD2 4.19Å; F655-F755 HydrophobicContact CE1-CG 4.12Å; F655-F755 HydrophobicContact CZ-CB 3.67Å; F655-F755 HydrophobicContact CZ-CG 4.25Å; A679-F755 HydrophobicContact CB-CD2 4.41Å; A679-F755 HydrophobicContact CB-CE1 3.9Å; A679-F755 HydrophobicContact CB-CE2 3.82Å; A679-F755 HydrophobicContact CB-CZ 3.49Å; A679-F755 VanDerWaalsContact CB-CZ 3.49Å; V681-F755 HydrophobicContact CG2-CE1 3.88Å; V703-F755 HydrophobicContact CB-CE1 4.49Å; V703-F755 HydrophobicContact CG1-CD1 4Å; V703-F755 HydrophobicContact CG1-CE1 3.09Å; V703-F755 HydrophobicContact CG1-CE2 3.9Å; V703-F755 HydrophobicContact CG1-CZ 3.04Å; I705-F755 HydrophobicContact CG1-CD2 3.82Å; I705-F755 HydrophobicContact CG1-CE2 4.05Å; M716-F755 HydrophobicContact CE-CE2 4.45Å; I739-F755 HydrophobicContact CB-CZ 4.12Å; I739-F755 HydrophobicContact CG2-CE2 4.41Å; I739-F755 HydrophobicContact CG2-CZ 3.87Å; F741-F755 HydrophobicContact CD1-CE2 4.44Å; F755-V757 HydrophobicContact CD1-CG2 4.25Å; F755-V757 HydrophobicContact CE1-CG2 4.23Å; F755-T780 HydrophobicContact CB-CG2 3.71Å; F755-T780 WeakPolarHBondContact CB-OG1 3.47Å; F755-T780 HydrophobicContact CD1-CG2 4.2Å; F755-T780 HydrophobicContact CG-CG2 4.44Å; F755-T780 PolarHBondContact N-OG1 2.9Å; F755-T780 WeakPolarHBondContact O-CG2 3.43Å; F755-T780 PolarHBondContact O-N 2.77Å; F755-T780 PolarHBondContact O-OG1 3.09Å
756	A	90.1	Very high	79.6	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.033	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.1	-178.3	0	0	0	0	0	110.4	S704 L706 V778 K779	S704-A756 PolarHBondContact N-O 3.45Å; S704-A756 PolarHBondContact O-N 3.34Å; L706-A756 HydrophobicContact CD1-CB 3.74Å; L706-A756 HydrophobicContact CD2-CB 4.2Å; L706-A756 HydrophobicContact CG-CB 3.78Å; A756-V778 WeakPolarHBondContact CA-O 3.38Å; A756-K779 HydrophobicContact CB-CG 4.28Å
757	V	90.8	Very high	80	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.1	176.2	-176	0	0	0	0	107	A651 V653 V681 F683 N702 V703 F755 V759 V778	A651-V757 HydrophobicContact CB-CG1 4.32Å; V653-V757 HydrophobicContact CG2-CG2 3.64Å; V681-V757 HydrophobicContact CG1-CG1 4Å; V681-V757 HydrophobicContact CG1-CG2 3.81Å; V681-V757 HydrophobicContact CG2-CG2 4.15Å; F683-V757 HydrophobicContact CE1-CG1 3.66Å; F683-V757 HydrophobicContact CZ-CG1 3.8Å; N702-V757 WeakPolarHBondContact O-CA 3.39Å; V703-V757 HydrophobicContact CG2-CG2 4.4Å; F755-V757 HydrophobicContact CD1-CG2 4.25Å; F755-V757 HydrophobicContact CE1-CG2 4.23Å; V757-V759 HydrophobicContact CG1-CG1 4.07Å; V757-V778 PolarHBondContact N-O 3.37Å; V757-V778 PolarHBondContact O-N 2.94Å
758	Q	91	Very high	81	Confident	70 Å²	70	48.1 Å²	48.1	33%	0.327	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.3	171.6	147.8	-177.3	43.5	0	0	108.8	Y701 N702 A776 V777	Y701-Q758 CarbonylContact C-O 3.52Å; Y701-Q758 WeakPolarHBondContact CA-O 3.43Å; N702-Q758 PolarHBondContact N-O 2.84Å; N702-Q758 PolarHBondContact ND2-OE1 3.4Å; N702-Q758 PolarHBondContact O-N 3.37Å; N702-Q758 WeakPolarHBondContact OD1-CB 3.32Å; N702-Q758 PolarHBondContact OD1-N 2.95Å; N702-Q758 PolarHBondContact OD1-O 3.33Å; Q758-A776 CarbonylContact C-O 3.02Å; Q758-A776 WeakPolarHBondContact CA-O 3.41Å; Q758-V777 HydrophobicContact CB-CG1 4.32Å; Q758-V777 HydrophobicContact CB-CG2 4Å; Q758-V777 HydrophobicContact CG-CG2 4.35Å
759	V	90.4	Very high	82.2	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.048	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.1	-175.2	-62.9	0	0	0	0	110.3	I649 A651 F683 R700 V757 A776	I649-V759 HydrophobicContact CB-CG2 4.13Å; I649-V759 HydrophobicContact CD1-CB 4.48Å; I649-V759 HydrophobicContact CG2-CB 4.1Å; I649-V759 HydrophobicContact CG2-CG1 4.23Å; I649-V759 HydrophobicContact CG2-CG2 4.02Å; A651-V759 HydrophobicContact CB-CG1 4.18Å; F683-V759 HydrophobicContact CD1-CG1 3.92Å; F683-V759 HydrophobicContact CE1-CG1 3.47Å; F683-V759 VanDerWaalsContact CE1-CG1 3.47Å; R700-V759 CarbonylContact O-C 3.58Å; V757-V759 HydrophobicContact CG1-CG1 4.07Å; V759-A776 WeakPolarHBondContact CG2-O 3.44Å; V759-A776 PolarHBondContact N-O 2.77Å
760	G	88.8	Confident	83.3	Confident	19 Å²	19	46.6 Å²	46.6	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	173.9	174.1	0	0	0	0	0	110	I699 R700	I699-G760 CarbonylContact C-O 3.59Å; I699-G760 VanDerWaalsContact CA-O 3.3Å; I699-G760 WeakPolarHBondContact CA-O 3.48Å; I699-G760 WeakPolarHBondContact CB-O 3.38Å; R700-G760 PolarHBondContact N-O 2.84Å; R700-G760 PolarHBondContact O-N 2.98Å
761	L	88.6	Confident	84.6	Confident	20 Å²	20	44.4 Å²	44.4	11%	0.105	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	145.6	168.5	-63.5	170.9	0	0	0	109.3	V647 I649 I697 I699 P768 L770	V647-L761 HydrophobicContact CG2-CD2 4.21Å; I649-L761 HydrophobicContact CD1-CD2 4.2Å; I697-L761 HydrophobicContact CG2-CD2 3.66Å; I699-L761 HydrophobicContact CG2-CD2 4.43Å; L761-P768 HydrophobicContact CD1-CG 4.49Å; L761-P768 WeakPolarHBondContact CD1-O 3.35Å; L761-L770 HydrophobicContact CD1-CD2 4.22Å; L761-L770 HydrophobicContact CD1-CG 3.95Å; L761-L770 HydrophobicContact CD2-CD2 4.23Å; L761-L770 HydrophobicContact CG-CD1 4.45Å; L761-L770 HydrophobicContact CG-CD2 3.93Å; L761-L770 HydrophobicContact CG-CG 3.93Å
762	E	85.8	Confident	84.8	Confident	82 Å²	82	41.1 Å²	41.1	38%	0.383	23%	0.229	S	C	.	.	S	Bend	trans	-66.2	-47.2	176.7	-178.9	173.1	-168	0	0	111.1	G698 N726	G698-E762 WeakPolarHBondContact O-CB 3.36Å; G698-E762 PolarHBondContact O-N 3.33Å; N726-E762 PolarHBondContact ND2-OE1 3.46Å
763	E	78.9	Confident	84.9	Confident	120 Å²	120	43.5 Å²	43.5	56%	0.561	25%	0.247	S	C	*	.			trans	-106.3	119.8	171.7	-66.9	-170.6	168.3	0	0	110.1
764	T	74.6	Confident	85	Confident	97 Å²	97	47.6 Å²	47.6	60%	0.595	26%	0.262	S	S	*	.	S	Bend	trans	-88.1	-19.2	176.4	53.6	0	0	0	0	112.8	R644	R644-T764 PolarHBondContact NH1-O 3.43Å; R644-T764 PolarHBondContact NH2-O 2.73Å
765	D	72.5	Confident	84.9	Confident	75 Å²	75	49 Å²	49	40%	0.401	27%	0.273	S	S	.	.	S	Bend	trans	-99.2	-23.2	-166.7	-70.1	7.5	0	0	0	112.6	K28	K28-D765 HydrophobicContact CD-CB 4.14Å; K28-D765 IonicContact NZ-OD1 2.62Å; K28-D765 PolarHBondContact NZ-OD1 3.49Å; K28-D765 IonicContact NZ-OD2 3.13Å; K28-D765 PolarHBondContact NZ-OD2 2.99Å
766	E	75.3	Confident	84.6	Confident	101 Å²	101	50.1 Å²	50.1	47%	0.472	28%	0.282	S	S	.	.	S	Bend	trans	-127.2	155.2	177.2	-52.4	-158.7	176.1	0	0	109.4	K29 R644	K29-E766 IonicContact NZ-OE1 2.66Å; K29-E766 PolarHBondContact NZ-OE1 2.94Å; K29-E766 IonicContact NZ-OE2 2.72Å; K29-E766 PolarHBondContact NZ-OE2 2.9Å; R644-E766 PolarHBondContact NH2-O 2.78Å
767	G	80.9	Confident	84.5	Confident	37 Å²	37	53.2 Å²	53.2	38%	0.381	30%	0.3	S	S	.	.	S	Bend	trans	78.2	-157.4	179.3	0	0	0	0	0	114.7	R644	R644-G767 VanDerWaalsContact CZ-O 3.28Å; R644-G767 PolarHBondContact NE-O 2.89Å; R644-G767 PolarHBondContact NH2-O 2.81Å
768	P	88.6	Confident	84.2	Confident	8 Å²	8	55 Å²	55	5%	0.052	31%	0.31	C	S	.	.			trans	-69	169.9	-174.4	29.6	-35.1	0	0	0	112.8	R644 S645 V647 I691 I697 L761	R644-P768 PolarHBondContact NH2-O 2.87Å; R644-P768 VanDerWaalsContact NH2-O 3.08Å; S645-P768 CarbonylContact O-C 3.54Å; S645-P768 WeakPolarHBondContact O-CA 3.23Å; S645-P768 WeakPolarHBondContact O-CB 3.03Å; V647-P768 HydrophobicContact CG1-CB 3.8Å; V647-P768 HydrophobicContact CG1-CG 4.27Å; V647-P768 HydrophobicContact CG2-CB 4.06Å; V647-P768 HydrophobicContact CG2-CG 4.25Å; I691-P768 HydrophobicContact CD1-CB 4.4Å; I697-P768 HydrophobicContact CD1-CG 4.18Å; I697-P768 HydrophobicContact CG1-CG 4.22Å; I697-P768 HydrophobicContact CG2-CG 4.18Å; L761-P768 HydrophobicContact CD1-CG 4.49Å; L761-P768 WeakPolarHBondContact CD1-O 3.35Å
769	V	90.1	Very high	84	Confident	19 Å²	19	58.3 Å²	58.3	12%	0.115	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	154.2	170.5	-62.5	0	0	0	0	110.3	N24 R644 S645 V646 V647	N24-V769 HydrophobicContact CB-CG2 3.55Å; R644-V769 HydrophobicContact CB-CG1 4.09Å; R644-V769 VanDerWaalsContact CZ-CG1 3.44Å; S645-V769 PolarHBondContact O-N 2.82Å; V646-V769 WeakPolarHBondContact CA-O 3.23Å; V646-V769 HydrophobicContact CG2-CG2 4.02Å; V647-V769 PolarHBondContact N-O 3.34Å
770	L	89	Confident	83.3	Confident	42 Å²	42	58.9 Å²	58.9	22%	0.22	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.9	174.2	-65.6	173.5	0	0	0	110.9	V647 I649 L761 D772	V647-L770 HydrophobicContact CG2-CD2 4.18Å; I649-L770 HydrophobicContact CD1-CD2 3.59Å; I649-L770 HydrophobicContact CG1-CD2 3.82Å; L761-L770 HydrophobicContact CD1-CD2 4.22Å; L761-L770 HydrophobicContact CD1-CG 3.95Å; L761-L770 HydrophobicContact CD2-CD2 4.23Å; L761-L770 HydrophobicContact CG-CD1 4.45Å; L761-L770 HydrophobicContact CG-CD2 3.93Å; L761-L770 HydrophobicContact CG-CG 3.93Å; L770-D772 PolarHBondContact O-N 2.83Å
771	D	87.8	Confident	82	Confident	9 Å²	9	66.4 Å²	66.4	5%	0.048	36%	0.357	C	S	.	.			trans	-62.8	117.3	167.4	-175.3	-14.2	0	0	0	110.4	V646 V647 R648 S773 W774	V646-D771 HydrophobicContact CG1-CB 3.93Å; V647-D771 PolarHBondContact O-N 2.85Å; R648-D771 HydrophobicContact CG-CB 3.88Å; R648-D771 IonicContact CZ-OD2 3.47Å; R648-D771 IonicContact NE-OD2 2.72Å; R648-D771 PolarHBondContact NE-OD2 3.2Å; R648-D771 IonicContact NH2-OD2 2.69Å; R648-D771 PolarHBondContact NH2-OD2 2.77Å; D771-S773 PolarHBondContact O-N 3.4Å; D771-S773 WeakPolarHBondContact OD1-CB 3.37Å; D771-S773 PolarHBondContact OD1-N 2.94Å; D771-S773 PolarHBondContact OD1-OG 2.71Å; D771-S773 PolarHBondContact OD2-OG 3.5Å; D771-S773 VanDerWaalsContact OD2-OG 3.14Å; D771-W774 HydrophobicContact CB-CB 4.05Å; D771-W774 WeakPolarHBondContact O-CB 3.25Å; D771-W774 PolarHBondContact O-N 2.91Å
772	D	79.4	Confident	81.2	Confident	77 Å²	77	71.7 Å²	71.7	41%	0.412	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.1	178.5	175.9	59.7	0	0	0	113	F23 K597 L770 W774	F23-D772 HydrophobicContact CD2-CB 4.38Å; K597-D772 IonicContact NZ-OD2 2.82Å; K597-D772 PolarHBondContact NZ-OD2 2.82Å; L770-D772 PolarHBondContact O-N 2.83Å; D772-W774 VanDerWaalsContact C-N 3.27Å; D772-W774 PolarHBondContact O-N 3.39Å
773	S	80.9	Confident	81	Confident	83 Å²	83	67.9 Å²	67.9	58%	0.58	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.6	176.1	70.9	0	0	0	0	113.6	D771	D771-S773 PolarHBondContact O-N 3.4Å; D771-S773 WeakPolarHBondContact OD1-CB 3.37Å; D771-S773 PolarHBondContact OD1-N 2.94Å; D771-S773 PolarHBondContact OD1-OG 2.71Å; D771-S773 PolarHBondContact OD2-OG 3.5Å; D771-S773 VanDerWaalsContact OD2-OG 3.14Å
774	W	85.9	Confident	81	Confident	88 Å²	88	64.6 Å²	64.6	33%	0.333	35%	0.353	S	S	.	.	S	Bend	trans	-104.8	134	-174.1	-159.6	-101.9	0	0	0	112.5	R648 I649 Y650 D771 D772 A776	R648-W774 HydrophobicContact CB-CD2 4.4Å; R648-W774 HydrophobicContact CB-CG 4.19Å; R648-W774 HydrophobicContact CG-CB 4.18Å; R648-W774 HydrophobicContact CG-CD2 4.2Å; R648-W774 HydrophobicContact CG-CG 3.98Å; I649-W774 PolarHBondContact O-NE1 3.25Å; Y650-W774 HydrophobicContact CD1-CH2 4.25Å; Y650-W774 AromaticContact CD1-CZ2 3.53Å; Y650-W774 HydrophobicContact CD1-CZ2 3.53Å; Y650-W774 AromaticContact CE1-CH2 3.42Å; Y650-W774 HydrophobicContact CE1-CH2 3.42Å; Y650-W774 VanDerWaalsContact CE1-CH2 3.42Å; Y650-W774 AromaticContact CE1-CZ2 3.1Å; Y650-W774 HydrophobicContact CE1-CZ2 3.1Å; Y650-W774 HydrophobicContact CE2-CZ2 4.3Å; Y650-W774 HydrophobicContact CG-CZ2 4.3Å; Y650-W774 AromaticContact CZ-CH2 3.78Å; Y650-W774 AromaticContact CZ-CZ2 3.54Å; D771-W774 HydrophobicContact CB-CB 4.05Å; D771-W774 WeakPolarHBondContact O-CB 3.25Å; D771-W774 PolarHBondContact O-N 2.91Å; D772-W774 VanDerWaalsContact C-N 3.27Å; D772-W774 PolarHBondContact O-N 3.39Å; W774-A776 PolarHBondContact O-N 2.82Å
775	P	84	Confident	81.1	Confident	71 Å²	71	60.4 Å²	60.4	46%	0.461	33%	0.327	S	S	.	.			trans	-70.9	127.4	-174.6	27.7	-34.5	0	0	0	112.6	V777	P775-V777 VanDerWaalsContact C-N 3.31Å
776	A	84.2	Confident	80.9	Confident	23 Å²	23	61.1 Å²	61.1	19%	0.19	32%	0.324	C	S	.	.	S	Bend	trans	-79.9	-9.8	172.8	0	0	0	0	0	113.8	Q758 V759 W774	Q758-A776 CarbonylContact C-O 3.02Å; Q758-A776 WeakPolarHBondContact CA-O 3.41Å; V759-A776 WeakPolarHBondContact CG2-O 3.44Å; V759-A776 PolarHBondContact N-O 2.77Å; W774-A776 PolarHBondContact O-N 2.82Å
777	V	86.6	Confident	80.1	Confident	68 Å²	68	59 Å²	59	41%	0.412	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.2	179.3	-171.2	0	0	0	0	109.4	Q758 P775	Q758-V777 HydrophobicContact CB-CG1 4.32Å; Q758-V777 HydrophobicContact CB-CG2 4Å; Q758-V777 HydrophobicContact CG-CG2 4.35Å; P775-V777 VanDerWaalsContact C-N 3.31Å
778	V	84.4	Confident	79	Confident	37 Å²	37	59.6 Å²	59.6	22%	0.224	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.9	175.6	-177.1	0	0	0	0	108.8	A651 A756 V757	A651-V778 HydrophobicContact CB-CB 4.28Å; A651-V778 HydrophobicContact CB-CG2 3.97Å; A756-V778 WeakPolarHBondContact CA-O 3.38Å; V757-V778 PolarHBondContact N-O 3.37Å; V757-V778 PolarHBondContact O-N 2.94Å
779	K	86.4	Confident	77.8	Confident	141 Å²	141	60.5 Å²	60.5	61%	0.613	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.7	174.2	-64.5	177.5	-176.2	170.8	0	108.6	L706 A756	L706-K779 HydrophobicContact CD1-CD 4.33Å; L706-K779 HydrophobicContact CD1-CG 4.5Å; A756-K779 HydrophobicContact CB-CG 4.28Å
780	T	76.7	Confident	76.1	Confident	19 Å²	19	66.5 Å²	66.5	12%	0.117	36%	0.359	C	S	.	.			trans	-71.7	154	-179.7	65.6	0	0	0	0	111.6	V653 F655 F755 Q782	V653-T780 HydrophobicContact CB-CG2 3.38Å; V653-T780 HydrophobicContact CG1-CG2 3.67Å; V653-T780 HydrophobicContact CG2-CG2 3.58Å; F655-T780 HydrophobicContact CE2-CG2 4.29Å; F655-T780 HydrophobicContact CZ-CG2 3.96Å; F755-T780 HydrophobicContact CB-CG2 3.71Å; F755-T780 WeakPolarHBondContact CB-OG1 3.47Å; F755-T780 HydrophobicContact CD1-CG2 4.2Å; F755-T780 HydrophobicContact CG-CG2 4.44Å; F755-T780 PolarHBondContact N-OG1 2.9Å; F755-T780 WeakPolarHBondContact O-CG2 3.43Å; F755-T780 PolarHBondContact O-N 2.77Å; F755-T780 PolarHBondContact O-OG1 3.09Å; T780-Q782 PolarHBondContact O-N 2.82Å
781	E	62.3	Low	74.4	Confident	177 Å²	177	74.3 Å²	74.3	83%	0.827	40%	0.395	S	S	*	.	S	Bend	trans	-63.3	127.5	159.3	-61.9	-163.6	161.5	0	0	107.7	L783	E781-L783 PolarHBondContact O-N 2.8Å
782	Q	71.7	Confident	72.7	Confident	131 Å²	131	80.6 Å²	80.6	61%	0.612	43%	0.428	S	S	*	.			trans	-37	121	-173.3	-76.1	174.7	28.5	0	0	115.1	P752 T780 P784	P752-Q782 HydrophobicContact CB-CB 3.51Å; P752-Q782 HydrophobicContact CB-CG 4.13Å; P752-Q782 HydrophobicContact CG-CB 3.37Å; P752-Q782 HydrophobicContact CG-CG 3.52Å; T780-Q782 PolarHBondContact O-N 2.82Å; Q782-P784 VanDerWaalsContact O-CD 3.26Å; Q782-P784 WeakPolarHBondContact O-CD 3.42Å
783	L	81.3	Confident	71.5	Confident	2 Å²	2	82.3 Å²	82.3	1%	0.01	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-76.2	111.2	175.1	177.5	64.7	0	0	0	110.9	F655 V660 M677 F741 P752 I753 E781	F655-L783 HydrophobicContact CB-CD1 3.85Å; F655-L783 HydrophobicContact CD1-CD1 4.25Å; F655-L783 HydrophobicContact CD1-CD2 4.05Å; F655-L783 HydrophobicContact CD2-CB 4.36Å; F655-L783 HydrophobicContact CD2-CD1 3.88Å; F655-L783 HydrophobicContact CE1-CD2 4.2Å; F655-L783 HydrophobicContact CE2-CB 4.12Å; F655-L783 HydrophobicContact CE2-CD1 4.48Å; F655-L783 HydrophobicContact CG-CD1 3.74Å; F655-L783 HydrophobicContact CG-CD2 4.39Å; F655-L783 HydrophobicContact CZ-CB 4.23Å; V660-L783 HydrophobicContact CG2-CD1 4.49Å; V660-L783 HydrophobicContact CG2-CD2 3.98Å; V660-L783 HydrophobicContact CG2-CG 3.86Å; M677-L783 HydrophobicContact CE-CD1 3.85Å; M677-L783 HydrophobicContact CE-CD2 3.87Å; M677-L783 HydrophobicContact CE-CG 4.34Å; M677-L783 HydrophobicContact SD-CD2 3.82Å; F741-L783 HydrophobicContact CE2-CD2 3.97Å; F741-L783 HydrophobicContact CZ-CD2 3.62Å; P752-L783 CarbonylContact C-O 3.54Å; P752-L783 VanDerWaalsContact CA-O 3.23Å; P752-L783 WeakPolarHBondContact CA-O 3.16Å; P752-L783 WeakPolarHBondContact CB-O 3.43Å; I753-L783 HydrophobicContact CB-CB 4.23Å; I753-L783 HydrophobicContact CB-CD2 4.36Å; I753-L783 HydrophobicContact CD1-CD2 4.48Å; I753-L783 PolarHBondContact N-O 3.34Å; I753-L783 WeakPolarHBondContact O-CB 3.21Å; I753-L783 PolarHBondContact O-N 3.42Å; E781-L783 PolarHBondContact O-N 2.8Å
784	P	78.3	Confident	70.5	Confident	52 Å²	52	86.7 Å²	86.7	34%	0.338	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-93.2	162	-169.1	36.6	-33	0	0	0	113.7	K659 V660 Q782	K659-P784 CarbonylContact C-O 3.2Å; K659-P784 WeakPolarHBondContact CA-O 3.34Å; K659-P784 HydrophobicContact CG-CG 4.06Å; V660-P784 PolarHBondContact N-O 2.92Å; Q782-P784 VanDerWaalsContact O-CD 3.26Å; Q782-P784 WeakPolarHBondContact O-CD 3.42Å
785	F	77.3	Confident	69.6	Low	9 Å²	9	83.6 Å²	83.6	4%	0.039	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-94.1	167	175.5	-69.1	-99.1	0	0	0	112.1	V660 I662 V743 T746 Y749 R751 I753 N787	V660-F785 HydrophobicContact CB-CD1 3.72Å; V660-F785 HydrophobicContact CB-CE1 3.99Å; V660-F785 HydrophobicContact CB-CG 4.16Å; V660-F785 HydrophobicContact CG1-CD1 3.86Å; V660-F785 HydrophobicContact CG1-CE1 3.77Å; V660-F785 HydrophobicContact CG2-CD1 4.42Å; V660-F785 HydrophobicContact CG2-CE1 4.41Å; V660-F785 CarbonylContact O-C 3.59Å; V660-F785 WeakPolarHBondContact O-CA 3.48Å; I662-F785 HydrophobicContact CG2-CD1 3.75Å; I662-F785 HydrophobicContact CG2-CE1 3.72Å; V743-F785 HydrophobicContact CG1-CE1 4.04Å; V743-F785 HydrophobicContact CG1-CZ 4.29Å; T746-F785 HydrophobicContact CG2-CE1 4.15Å; T746-F785 HydrophobicContact CG2-CZ 4.35Å; Y749-F785 AromaticContact CD1-CD1 3.9Å; Y749-F785 HydrophobicContact CD1-CD1 3.9Å; Y749-F785 HydrophobicContact CD1-CE1 4.22Å; Y749-F785 WeakPolarHBondContact O-CB 3.26Å; Y749-F785 VanDerWaalsContact O-CD2 3.29Å; Y749-F785 WeakPolarHBondContact O-CD2 3.41Å; R751-F785 WeakPolarHBondContact O-CE2 3.41Å; I753-F785 HydrophobicContact CD1-CE2 4.2Å; I753-F785 HydrophobicContact CD1-CZ 3.84Å; I753-F785 HydrophobicContact CG1-CE2 4.22Å; I753-F785 HydrophobicContact CG1-CZ 4.23Å; F785-N787 PolarHBondContact O-OD1 2.84Å
786	W	67.8	Low	69.3	Low	89 Å²	89	83.8 Å²	83.8	34%	0.337	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-87.7	148.7	178.4	-175.9	75.9	0	0	0	113.5	V660 N661 F663	V660-W786 PolarHBondContact O-N 3.38Å; N661-W786 HydrophobicContact CB-CB 4.28Å; F663-W786 AromaticContact CD2-CE3 3.54Å; F663-W786 HydrophobicContact CD2-CE3 3.54Å; F663-W786 AromaticContact CD2-CZ3 3.6Å; F663-W786 HydrophobicContact CD2-CZ3 3.6Å; F663-W786 AromaticContact CE2-CE3 3.76Å; F663-W786 HydrophobicContact CE2-CE3 3.76Å; F663-W786 AromaticContact CE2-CZ3 3.83Å; F663-W786 HydrophobicContact CE2-CZ3 3.83Å
787	N	58.8	Low	69.3	Low	58 Å²	58	82.7 Å²	82.7	31%	0.31	42%	0.419	S	S	.	.			trans	-106.8	-10.4	-157.2	-65.2	1.2	0	0	0	117.8	F785 Y861	F785-N787 PolarHBondContact O-OD1 2.84Å; N787-Y861 HydrophobicContact CB-CD1 3.87Å; N787-Y861 HydrophobicContact CB-CD2 4.27Å; N787-Y861 HydrophobicContact CB-CE1 3.49Å; N787-Y861 VanDerWaalsContact CB-CE1 3.49Å; N787-Y861 HydrophobicContact CB-CE2 3.89Å; N787-Y861 HydrophobicContact CB-CG 4.25Å; N787-Y861 VanDerWaalsContact CB-CZ 3.47Å; N787-Y861 WeakPolarHBondContact ND2-CE1 3.41Å; N787-Y861 WeakPolarHBondContact O-CD2 3.33Å; N787-Y861 WeakPolarHBondContact O-CE2 3.23Å; N787-Y861 WeakPolarHBondContact OD1-CE1 3.46Å; N787-Y861 PolarHBondContact OD1-OH 2.8Å
788	G	57.3	Low	69.4	Low	49 Å²	49	80.8 Å²	80.8	51%	0.505	41%	0.407	S	S	.	.			trans	76.6	35.2	167.3	0	0	0	0	0	119.5
789	C	62.9	Low	69.7	Low	26 Å²	26	79.1 Å²	79.1	18%	0.176	40%	0.397	C	S	.	.			trans	-84.3	166.7	165.2	-58.7	0	0	0	0	111.1	C795	C789-C795 HydrophobicContact CB-CB 4.43Å; C789-C795 WeakPolarHBondContact CB-SG 3.15Å; C789-C795 WeakPolarHBondContact SG-CB 3.43Å; C789-C795 CovalentContact SG-SG 2.07Å; C789-C795 PolarHBondContact SG-SG 3.33Å
790	D	56.1	Low	69.9	Low	146 Å²	146	72.8 Å²	72.8	78%	0.781	37%	0.37	S	S	*	.			trans	-58.3	168.9	176.5	-85	-17.4	0	0	0	112.4	D792 D793	D790-D792 PolarHBondContact O-N 3.48Å; D790-D793 PolarHBondContact O-N 3.07Å
791	E	51.8	Low	70.7	Confident	206 Å²	206	72.3 Å²	72.3	96%	0.963	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-16.9	-167.9	-70.3	-172.2	160.8	0	0	116.5
792	D	53.4	Low	72	Confident	141 Å²	141	69.2 Å²	69.2	75%	0.754	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	4.6	176.1	-65.5	-28.1	0	0	0	114.8	D790 R794	D790-D792 PolarHBondContact O-N 3.48Å; D792-R794 VanDerWaalsContact C-N 3.29Å; D792-R794 PolarHBondContact O-N 2.87Å
793	D	54.3	Low	72.9	Confident	113 Å²	113	64.7 Å²	64.7	60%	0.604	34%	0.335	S	S	*	.			trans	60.4	23.6	178	-95	-21.6	0	0	0	115.1	D790	D790-D793 PolarHBondContact O-N 3.07Å
794	R	59	Low	73.3	Confident	175 Å²	175	67.4 Å²	67.4	66%	0.66	36%	0.358	S	S	*	.			trans	-120.5	116.2	-178.3	-64.2	-177.1	-167.7	-157.4	6	113.6	D792 E943	D792-R794 VanDerWaalsContact C-N 3.29Å; D792-R794 PolarHBondContact O-N 2.87Å; R794-E943 IonicContact NH1-OE2 3.57Å; R794-E943 PolarHBondContact NH1-OE2 3.2Å
795	C	66.4	Low	73.8	Confident	22 Å²	22	67 Å²	67	15%	0.149	35%	0.353	C	S	.	.			trans	-97.3	143.2	173.2	-76.2	0	0	0	0	110.8	C789 P797 G942 E943	C789-C795 HydrophobicContact CB-CB 4.43Å; C789-C795 WeakPolarHBondContact CB-SG 3.15Å; C789-C795 WeakPolarHBondContact SG-CB 3.43Å; C789-C795 CovalentContact SG-SG 2.07Å; C789-C795 PolarHBondContact SG-SG 3.33Å; C795-P797 WeakPolarHBondContact O-CD 3.29Å; C795-G942 CarbonylContact O-C 3.56Å; C795-G942 VanDerWaalsContact O-C 3.26Å; C795-G942 WeakPolarHBondContact O-CA 3.43Å; C795-E943 PolarHBondContact O-N 3.31Å
796	M	79.1	Confident	74.4	Confident	76 Å²	76	69.8 Å²	69.8	37%	0.374	37%	0.368	S	S	.	.			trans	-115.8	81	-177.9	-66.8	-75.2	-52.1	0	0	114.6	E858 E943 V945	M796-E858 PolarHBondContact N-OE2 2.95Å; M796-E858 WeakPolarHBondContact O-CB 3.37Å; M796-E858 PolarHBondContact O-N 3.32Å; M796-E943 WeakPolarHBondContact CA-O 3.43Å; M796-E943 HydrophobicContact CE-CG 4.44Å; M796-E943 WeakPolarHBondContact CE-O 3.45Å; M796-E943 HydrophobicContact SD-CB 3.56Å; M796-E943 VanDerWaalsContact SD-CB 3.56Å; M796-E943 HydrophobicContact SD-CG 3.81Å; M796-V945 HydrophobicContact CE-CG2 4.07Å
797	P	83.3	Confident	75.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.353	C	S	.	.			trans	-80.2	167.3	177.3	27.5	-28.2	0	0	0	114.7	C795 A860 S940 E944 V945	C795-P797 WeakPolarHBondContact O-CD 3.29Å; P797-A860 HydrophobicContact CB-CB 3.68Å; P797-A860 HydrophobicContact CG-CB 4.36Å; P797-S940 WeakPolarHBondContact CG-OG 3.3Å; P797-E944 VanDerWaalsContact C-OE2 3.31Å; P797-E944 WeakPolarHBondContact CB-OE1 3.48Å; P797-E944 HydrophobicContact CG-CG 4.29Å; P797-E944 WeakPolarHBondContact CG-OE1 3.14Å; P797-E944 WeakPolarHBondContact O-CA 3.36Å; P797-E944 VanDerWaalsContact O-OE2 3.05Å; P797-V945 PolarHBondContact O-N 2.87Å
798	D	88.3	Confident	76.7	Confident	28 Å²	28	64.7 Å²	64.7	15%	0.15	35%	0.347	C	S	.	.			trans	-140.9	89.1	173.8	-175.5	36.3	0	0	0	110.6	N855 R856 E944 V945	D798-N855 CarbonylContact O-C 3.52Å; D798-N855 WeakPolarHBondContact O-CA 3.39Å; D798-N855 PolarHBondContact O-OD1 2.82Å; D798-R856 HydrophobicContact CB-CB 4.28Å; D798-R856 PolarHBondContact O-N 3.44Å; D798-R856 WeakPolarHBondContact OD2-CB 3.08Å; D798-E944 WeakPolarHBondContact CA-OE2 3.34Å; D798-E944 PolarHBondContact N-OE2 2.93Å; D798-V945 HydrophobicContact CB-CB 4.19Å; D798-V945 HydrophobicContact CB-CG2 4.41Å
799	L	90.4	Very high	78.1	Confident	2 Å²	2	64 Å²	64	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	159.4	-179.1	-62.3	174.1	0	0	0	112.2	E854 N855 A860 M909 A938 E944 N950	L799-E854 CarbonylContact C-O 3.59Å; L799-E854 WeakPolarHBondContact CA-O 3.17Å; L799-N855 HydrophobicContact CD2-CB 3.78Å; L799-A860 HydrophobicContact CD2-CB 4.24Å; L799-M909 HydrophobicContact CD2-SD 4.12Å; L799-A938 HydrophobicContact CB-CB 4.04Å; L799-A938 HydrophobicContact CD1-CB 4.02Å; L799-E944 WeakPolarHBondContact CD1-OE1 3.46Å; L799-E944 VanDerWaalsContact CG-OE1 3.26Å; L799-E944 WeakPolarHBondContact CG-OE1 3.33Å; L799-E944 PolarHBondContact N-OE2 2.9Å; L799-N950 WeakPolarHBondContact CB-OD1 3.36Å; L799-N950 PolarHBondContact O-OD1 3.39Å
800	S	91.6	Very high	79	Confident	7 Å²	7	65.6 Å²	65.6	5%	0.049	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	128.5	179.7	-162.5	0	0	0	0	112.2	L853 E854 R856 D949	S800-L853 WeakPolarHBondContact O-CA 3.36Å; S800-E854 PolarHBondContact N-O 2.75Å; S800-E854 PolarHBondContact O-N 2.81Å; S800-R856 PolarHBondContact OG-NH1 3.29Å; S800-R856 PolarHBondContact OG-NH2 3.35Å; S800-R856 VanDerWaalsContact OG-NH2 3.07Å; S800-D949 VanDerWaalsContact CB-OD2 3.28Å; S800-D949 WeakPolarHBondContact CB-OD2 3.37Å; S800-D949 PolarHBondContact OG-OD2 2.88Å
801	L	92.7	Very high	80.1	Confident	9 Å²	9	64.7 Å²	64.7	5%	0.047	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.4	-175.1	-81.1	179.1	0	0	0	114.5	V851 K852 L853 L936 A938 D949 N950 N952	L801-V851 HydrophobicContact CD2-CG1 3.91Å; L801-K852 WeakPolarHBondContact CA-O 3.36Å; L801-L853 HydrophobicContact CD2-CB 3.85Å; L801-L853 HydrophobicContact CD2-CD1 3.6Å; L801-L853 HydrophobicContact CD2-CG 4.28Å; L801-L853 HydrophobicContact CG-CD1 3.96Å; L801-L936 HydrophobicContact CD1-CB 3.91Å; L801-A938 HydrophobicContact CD1-CB 3.77Å; L801-A938 HydrophobicContact CG-CB 3.94Å; L801-D949 PolarHBondContact N-O 3.11Å; L801-N950 WeakPolarHBondContact CD1-O 3.43Å; L801-N952 HydrophobicContact CB-CB 4.41Å
802	Q	90.1	Very high	81.6	Confident	113 Å²	113	59.8 Å²	59.8	53%	0.528	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.6	171.9	-61.6	178.9	6.7	0	0	111.4	V851 K852	Q802-V851 CarbonylContact O-C 3.56Å; Q802-V851 WeakPolarHBondContact O-CA 3.41Å; Q802-K852 HydrophobicContact CB-CB 4.49Å; Q802-K852 PolarHBondContact N-O 2.96Å; Q802-K852 PolarHBondContact O-N 3.3Å
803	S	90.3	Very high	83.1	Confident	36 Å²	36	53.3 Å²	53.3	25%	0.252	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.8	-177.2	89.9	0	0	0	0	115.6	D850 N952 I954	S803-D850 CarbonylContact C-O 3.47Å; S803-D850 WeakPolarHBondContact CA-O 3.38Å; S803-N952 WeakPolarHBondContact CB-OD1 3.34Å; S803-N952 PolarHBondContact N-ND2 3.17Å; S803-N952 VanDerWaalsContact OG-CG 3.26Å; S803-N952 PolarHBondContact OG-OD1 2.89Å; S803-I954 WeakPolarHBondContact OG-CD1 3.18Å
804	A	89.3	Confident	84.3	Confident	59 Å²	59	49 Å²	49	49%	0.488	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.5	172	0	0	0	0	0	112.2	V849 D850	A804-V849 CarbonylContact O-C 3.51Å; A804-V849 VanDerWaalsContact O-CA 3.31Å; A804-V849 WeakPolarHBondContact O-CA 3.28Å; A804-D850 PolarHBondContact N-O 3.01Å; A804-D850 PolarHBondContact O-N 3.34Å
805	N	89.9	Confident	85.2	Confident	44 Å²	44	44.6 Å²	44.6	24%	0.235	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	164.7	-175.8	70.2	90.7	0	0	0	114.8	L807 M847 V848 V849 Y956	N805-L807 PolarHBondContact OD1-N 3.3Å; N805-M847 HydrophobicContact CB-CE 3.73Å; N805-V848 WeakPolarHBondContact CA-O 3.25Å; N805-V849 HydrophobicContact CB-CG2 4.29Å; N805-Y956 WeakPolarHBondContact ND2-CE2 3.44Å; N805-Y956 PolarHBondContact ND2-OH 2.85Å
806	D	89.9	Confident	85.8	Confident	66 Å²	66	48.3 Å²	48.3	35%	0.353	26%	0.256	S	S	.	.			trans	-101.3	15.2	-173.6	79.9	-43.4	0	0	0	115.4	K844 V848	D806-K844 PolarHBondContact O-NZ 3.3Å; D806-K844 IonicContact OD1-NZ 2.72Å; D806-K844 IonicContact OD2-NZ 3.31Å; D806-K844 PolarHBondContact OD2-NZ 3.36Å; D806-V848 PolarHBondContact N-O 2.74Å; D806-V848 PolarHBondContact OD1-N 2.89Å
807	L	88.3	Confident	85.1	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-81.9	131	-177.3	-65.9	-179.2	0	0	0	113.1	N805 R838 M847 F923 L932 L958	N805-L807 PolarHBondContact OD1-N 3.3Å; L807-R838 HydrophobicContact CB-CB 4.06Å; L807-R838 HydrophobicContact CB-CG 4.02Å; L807-R838 HydrophobicContact CD1-CB 4.21Å; L807-R838 HydrophobicContact CD1-CG 4.32Å; L807-R838 PolarHBondContact O-NH1 3.45Å; L807-M847 HydrophobicContact CD1-CE 3.72Å; L807-M847 HydrophobicContact CD1-CG 4.28Å; L807-M847 HydrophobicContact CD1-SD 3.68Å; L807-M847 HydrophobicContact CD2-CB 4.32Å; L807-M847 HydrophobicContact CD2-CG 4.06Å; L807-M847 HydrophobicContact CD2-SD 4.43Å; L807-M847 HydrophobicContact CG-CE 4.08Å; L807-M847 HydrophobicContact CG-CG 4.01Å; L807-M847 HydrophobicContact CG-SD 4.08Å; L807-F923 HydrophobicContact CD2-CZ 4.09Å; L807-L932 HydrophobicContact CD1-CD2 3.41Å; L807-L932 VanDerWaalsContact CD1-CD2 3.41Å; L807-L958 HydrophobicContact CD1-CD2 4.48Å
808	M	86.4	Confident	84.2	Confident	36 Å²	36	56.1 Å²	56.1	18%	0.177	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	140.7	-178	-64.7	-179.3	71.4	0	0	111.4	Q812 R816 R838 V839	M808-Q812 HydrophobicContact CB-CB 4.29Å; M808-Q812 HydrophobicContact CE-CB 3.74Å; M808-Q812 WeakPolarHBondContact CE-O 3.16Å; M808-R816 PolarHBondContact SD-NH2 2.82Å; M808-R838 WeakPolarHBondContact O-CA 3.3Å; M808-V839 PolarHBondContact O-N 3.21Å
809	T	86	Confident	83	Confident	33 Å²	33	56 Å²	56	20%	0.202	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	159.4	166.7	58.6	0	0	0	0	110.7	K811 Q812 F813	T809-K811 PolarHBondContact O-N 2.95Å; T809-Q812 PolarHBondContact O-N 3.43Å; T809-Q812 WeakPolarHBondContact OG1-CG 3.29Å; T809-Q812 PolarHBondContact OG1-N 3.24Å; T809-Q812 PolarHBondContact OG1-OE1 3.43Å; T809-Q812 VanDerWaalsContact OG1-OE1 3.13Å; T809-F813 PolarHBondContact O-N 3.3Å
810	R	81.5	Confident	81.4	Confident	61 Å²	61	58.8 Å²	58.8	23%	0.23	33%	0.328	C	S	.	.	H	α-helix	trans	-52.9	-37.7	172	-173.7	174.6	177.7	-154.4	-4.8	113	F813 C814 F824 H827 V839	R810-F813 PolarHBondContact O-N 3.17Å; R810-C814 WeakPolarHBondContact O-CB 3.45Å; R810-C814 PolarHBondContact O-N 2.71Å; R810-C814 PolarHBondContact O-SG 3.17Å; R810-F824 HydrophobicContact CG-CE1 4.09Å; R810-F824 HydrophobicContact CG-CZ 4.3Å; R810-F824 PolarHBondContact NE-O 3.24Å; R810-F824 PolarHBondContact NH2-O 3.03Å; R810-H827 PolarHBondContact NH1-O 3.49Å; R810-H827 PolarHBondContact NH2-O 2.78Å; R810-V839 HydrophobicContact CB-CG2 4.36Å
811	K	80.6	Confident	79.9	Confident	126 Å²	126	68.4 Å²	68.4	55%	0.548	36%	0.363	S	S	.	.	H	α-helix	trans	-63.2	-42.6	176.6	-68.8	-176.9	-179.4	171.1	0	112.2	T809 A815 E834	T809-K811 PolarHBondContact O-N 2.95Å; K811-A815 WeakPolarHBondContact O-CB 3.02Å; K811-A815 PolarHBondContact O-N 3.05Å; K811-E834 WeakPolarHBondContact CE-OE2 3.4Å; K811-E834 IonicContact NZ-OE2 2.81Å; K811-E834 PolarHBondContact NZ-OE2 3.35Å
812	Q	83.5	Confident	78.6	Confident	103 Å²	103	68.2 Å²	68.2	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-69.1	-35.4	177.6	-72.3	166	-34.9	0	0	112.5	M808 T809	M808-Q812 HydrophobicContact CB-CB 4.29Å; M808-Q812 HydrophobicContact CE-CB 3.74Å; M808-Q812 WeakPolarHBondContact CE-O 3.16Å; T809-Q812 PolarHBondContact O-N 3.43Å; T809-Q812 WeakPolarHBondContact OG1-CG 3.29Å; T809-Q812 PolarHBondContact OG1-N 3.24Å; T809-Q812 PolarHBondContact OG1-OE1 3.43Å; T809-Q812 VanDerWaalsContact OG1-OE1 3.13Å
813	F	83.8	Confident	77.5	Confident	5 Å²	5	65.6 Å²	65.6	2%	0.022	35%	0.352	C	S	.	.	H	α-helix	trans	-68.9	-49.9	176.7	-178.3	-100.2	0	0	0	111.7	T809 R810 A815 R816 Q819 F824 V839 E841 F1126	T809-F813 PolarHBondContact O-N 3.3Å; R810-F813 PolarHBondContact O-N 3.17Å; F813-A815 PolarHBondContact O-N 3.49Å; F813-R816 PolarHBondContact O-N 2.84Å; F813-Q819 HydrophobicContact CE1-CB 4.42Å; F813-Q819 HydrophobicContact CZ-CG 4.17Å; F813-F824 HydrophobicContact CD1-CD1 4.19Å; F813-F824 AromaticContact CD1-CE1 3.96Å; F813-F824 HydrophobicContact CD1-CE1 3.96Å; F813-F824 HydrophobicContact CE1-CD1 4.11Å; F813-F824 HydrophobicContact CE1-CE1 4.18Å; F813-V839 HydrophobicContact CB-CB 4.2Å; F813-V839 HydrophobicContact CB-CG1 4.3Å; F813-V839 HydrophobicContact CB-CG2 4.17Å; F813-V839 HydrophobicContact CD1-CG1 4.09Å; F813-V839 HydrophobicContact CD2-CB 4.38Å; F813-V839 HydrophobicContact CD2-CG1 3.7Å; F813-V839 HydrophobicContact CE1-CG1 4.32Å; F813-V839 HydrophobicContact CE2-CG1 3.96Å; F813-V839 HydrophobicContact CG-CB 4.22Å; F813-V839 HydrophobicContact CG-CG1 3.77Å; F813-V839 HydrophobicContact CG-CG2 4.39Å; F813-V839 HydrophobicContact CZ-CG1 4.26Å; F813-E841 HydrophobicContact CD2-CG 4.16Å; F813-E841 HydrophobicContact CE2-CG 3.93Å; F813-F1126 HydrophobicContact CE1-CE2 4.39Å; F813-F1126 HydrophobicContact CE1-CZ 4.11Å; F813-F1126 HydrophobicContact CZ-CZ 4.23Å
814	C	80.3	Confident	76.7	Confident	24 Å²	24	65.9 Å²	65.9	16%	0.162	35%	0.349	C	S	.	.	H	α-helix	trans	-72.3	-11.1	-177.4	-68.9	0	0	0	0	114.8	R810 R816 C825	R810-C814 WeakPolarHBondContact O-CB 3.45Å; R810-C814 PolarHBondContact O-N 2.71Å; R810-C814 PolarHBondContact O-SG 3.17Å; C814-R816 PolarHBondContact O-N 3.14Å; C814-C825 WeakPolarHBondContact CA-SG 3.49Å; C814-C825 HydrophobicContact CB-CB 3.69Å; C814-C825 WeakPolarHBondContact CB-SG 3.33Å; C814-C825 WeakPolarHBondContact SG-CA 3.27Å; C814-C825 WeakPolarHBondContact SG-CB 3.13Å; C814-C825 CovalentContact SG-SG 2.05Å; C814-C825 PolarHBondContact SG-SG 3.34Å
815	A	78.4	Confident	75.9	Confident	81 Å²	81	64 Å²	64	67%	0.669	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.6	174.3	0	0	0	0	0	113.5	K811 F813	K811-A815 WeakPolarHBondContact O-CB 3.02Å; K811-A815 PolarHBondContact O-N 3.05Å; F813-A815 PolarHBondContact O-N 3.49Å
816	R	78.9	Confident	74.9	Confident	101 Å²	101	70.8 Å²	70.8	38%	0.381	36%	0.355	S	S	.	.	S	Bend	trans	-81.9	133.8	-179.8	-68.9	-179.6	174.4	174.6	6.1	111.6	M808 F813 C814 V818 Q819 S820 E841	M808-R816 PolarHBondContact SD-NH2 2.82Å; F813-R816 PolarHBondContact O-N 2.84Å; C814-R816 PolarHBondContact O-N 3.14Å; R816-V818 PolarHBondContact O-N 2.62Å; R816-Q819 VanDerWaalsContact CB-OE1 3.3Å; R816-Q819 PolarHBondContact O-N 2.69Å; R816-Q819 VanDerWaalsContact O-N 3.13Å; R816-S820 PolarHBondContact O-N 2.82Å; R816-E841 IonicContact CZ-OE1 3.02Å; R816-E841 IonicContact CZ-OE2 2.84Å; R816-E841 IonicContact NH1-OE1 2.79Å; R816-E841 PolarHBondContact NH1-OE1 2.77Å; R816-E841 IonicContact NH1-OE2 2.74Å; R816-E841 PolarHBondContact NH1-OE2 2.99Å; R816-E841 IonicContact NH2-OE2 3.46Å
817	P	63.4	Low	73.4	Confident	113 Å²	113	74.3 Å²	74.3	73%	0.734	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-34.2	-168.4	18.2	-28.6	0	0	0	115	Q819 S820	P817-Q819 VanDerWaalsContact C-N 3.34Å; P817-S820 PolarHBondContact O-OG 2.87Å
818	V	64	Low	71.8	Confident	126 Å²	126	81.4 Å²	81.4	76%	0.764	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-28.5	178.6	-178.8	0	0	0	0	112.2	R816	R816-V818 PolarHBondContact O-N 2.62Å
819	Q	63.5	Low	70	Confident	27 Å²	27	83.5 Å²	83.5	13%	0.126	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-11.4	-172.1	-70.2	159.8	-27.9	0	0	113	F813 R816 P817 R821 G822 E841	F813-Q819 HydrophobicContact CE1-CB 4.42Å; F813-Q819 HydrophobicContact CZ-CG 4.17Å; R816-Q819 VanDerWaalsContact CB-OE1 3.3Å; R816-Q819 PolarHBondContact O-N 2.69Å; R816-Q819 VanDerWaalsContact O-N 3.13Å; P817-Q819 VanDerWaalsContact C-N 3.34Å; Q819-R821 VanDerWaalsContact C-N 3.25Å; Q819-R821 PolarHBondContact O-N 2.9Å; Q819-G822 PolarHBondContact O-N 3.25Å; Q819-E841 PolarHBondContact NE2-OE1 2.9Å
820	S	57.3	Low	68	Low	59 Å²	59	84.5 Å²	84.5	41%	0.413	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.2	-175.5	64.5	0	0	0	0	116	R816 P817	R816-S820 PolarHBondContact O-N 2.82Å; P817-S820 PolarHBondContact O-OG 2.87Å
821	R	59.6	Low	66.3	Low	210 Å²	210	87.1 Å²	87.1	79%	0.792	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-13.4	-176.9	-67.8	-176.9	176.2	179.2	-0.8	114.6	Q819	Q819-R821 VanDerWaalsContact C-N 3.25Å; Q819-R821 PolarHBondContact O-N 2.9Å
822	G	65	Low	64.6	Low	5 Å²	5	84.8 Å²	84.8	5%	0.052	50%	0.496	C	S	.	.	S	Bend	trans	-72.2	150.4	-178.7	0	0	0	0	0	113.3	Q819 F824 C825	Q819-G822 PolarHBondContact O-N 3.25Å; G822-F824 PolarHBondContact O-N 2.04Å; G822-C825 PolarHBondContact O-N 2.83Å
823	I	67.5	Low	62.9	Low	57 Å²	57	84 Å²	84	29%	0.292	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-62	-32.6	-179	-68.6	163.1	0	0	0	111.5	C825 R826 E1130	I823-C825 PolarHBondContact O-N 3.17Å; I823-C825 VanDerWaalsContact O-N 3.08Å; I823-R826 PolarHBondContact O-N 2.77Å; I823-E1130 HydrophobicContact CD1-CB 3.57Å
824	F	74.6	Confident	61.4	Low	42 Å²	42	87.1 Å²	87.1	18%	0.184	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-52.9	-27.8	170.9	-176.4	-101.5	0	0	0	113.7	R810 F813 G822 V839 F1126	R810-F824 HydrophobicContact CG-CE1 4.09Å; R810-F824 HydrophobicContact CG-CZ 4.3Å; R810-F824 PolarHBondContact NE-O 3.24Å; R810-F824 PolarHBondContact NH2-O 3.03Å; F813-F824 HydrophobicContact CD1-CD1 4.19Å; F813-F824 AromaticContact CD1-CE1 3.96Å; F813-F824 HydrophobicContact CD1-CE1 3.96Å; F813-F824 HydrophobicContact CE1-CD1 4.11Å; F813-F824 HydrophobicContact CE1-CE1 4.18Å; G822-F824 PolarHBondContact O-N 2.04Å; F824-V839 HydrophobicContact CE1-CG2 4.02Å; F824-V839 HydrophobicContact CZ-CG2 3.95Å; F824-F1126 HydrophobicContact CB-CD2 3.95Å; F824-F1126 HydrophobicContact CB-CE2 4.15Å; F824-F1126 HydrophobicContact CD1-CD2 4.34Å; F824-F1126 HydrophobicContact CD1-CE1 4.5Å; F824-F1126 AromaticContact CD1-CE2 3.87Å; F824-F1126 HydrophobicContact CD1-CE2 3.87Å; F824-F1126 AromaticContact CD1-CZ 3.96Å; F824-F1126 HydrophobicContact CD1-CZ 3.96Å; F824-F1126 HydrophobicContact CD2-CB 4.25Å; F824-F1126 AromaticContact CD2-CD1 3.93Å; F824-F1126 HydrophobicContact CD2-CD1 3.93Å; F824-F1126 AromaticContact CD2-CD2 3.82Å; F824-F1126 HydrophobicContact CD2-CD2 3.82Å; F824-F1126 HydrophobicContact CD2-CE1 4.23Å; F824-F1126 HydrophobicContact CD2-CE2 4.13Å; F824-F1126 AromaticContact CD2-CG 3.72Å; F824-F1126 HydrophobicContact CD2-CG 3.72Å; F824-F1126 HydrophobicContact CD2-CZ 4.33Å; F824-F1126 HydrophobicContact CE1-CE1 4.16Å; F824-F1126 HydrophobicContact CE1-CE2 4.29Å; F824-F1126 AromaticContact CE1-CZ 3.89Å; F824-F1126 HydrophobicContact CE1-CZ 3.89Å; F824-F1126 AromaticContact CE2-CD1 3.74Å; F824-F1126 HydrophobicContact CE2-CD1 3.74Å; F824-F1126 HydrophobicContact CE2-CD2 4.42Å; F824-F1126 AromaticContact CE2-CE1 3.87Å; F824-F1126 HydrophobicContact CE2-CE1 3.87Å; F824-F1126 HydrophobicContact CE2-CG 4.04Å; F824-F1126 HydrophobicContact CE2-CZ 4.27Å; F824-F1126 AromaticContact CG-CD2 3.78Å; F824-F1126 HydrophobicContact CG-CD2 3.78Å; F824-F1126 AromaticContact CG-CE2 3.78Å; F824-F1126 HydrophobicContact CG-CE2 3.78Å; F824-F1126 HydrophobicContact CG-CG 4.18Å; F824-F1126 HydrophobicContact CG-CZ 4.18Å; F824-F1126 HydrophobicContact CZ-CD1 4.19Å; F824-F1126 AromaticContact CZ-CE1 3.83Å; F824-F1126 HydrophobicContact CZ-CE1 3.83Å; F824-F1126 HydrophobicContact CZ-CZ 4.06Å
825	C	72.8	Confident	60.3	Low	19 Å²	19	89 Å²	89	13%	0.128	54%	0.54	C	S	.	.	G	3₁₀ helix	trans	-99.6	-5.6	179.1	-67.2	0	0	0	0	114.5	C814 G822 I823	C814-C825 WeakPolarHBondContact CA-SG 3.49Å; C814-C825 HydrophobicContact CB-CB 3.69Å; C814-C825 WeakPolarHBondContact CB-SG 3.33Å; C814-C825 WeakPolarHBondContact SG-CA 3.27Å; C814-C825 WeakPolarHBondContact SG-CB 3.13Å; C814-C825 CovalentContact SG-SG 2.05Å; C814-C825 PolarHBondContact SG-SG 3.34Å; G822-C825 PolarHBondContact O-N 2.83Å; I823-C825 PolarHBondContact O-N 3.17Å; I823-C825 VanDerWaalsContact O-N 3.08Å
826	R	67.3	Low	59.8	Low	188 Å²	188	87 Å²	87	71%	0.709	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-26.6	-179.1	-80.5	-178.4	169.3	173.8	-2.6	114.7	I823 Q828	I823-R826 PolarHBondContact O-N 2.77Å; R826-Q828 PolarHBondContact O-N 3.26Å; R826-Q828 VanDerWaalsContact O-N 3.08Å
827	H	58.5	Low	60	Low	139 Å²	139	84.2 Å²	84.2	64%	0.644	51%	0.513	S	S	*	.			trans	-81.7	82	176.8	-77.3	-75.2	0	0	0	111.5	R810	R810-H827 PolarHBondContact NH1-O 3.49Å; R810-H827 PolarHBondContact NH2-O 2.78Å
828	Q	55.2	Low	61.2	Low	154 Å²	154	80.7 Å²	80.7	72%	0.72	49%	0.485	S	S	*	.			trans	-105	20.6	-177.2	-143.1	175.7	23.4	0	0	113.9	R826	R826-Q828 PolarHBondContact O-N 3.26Å; R826-Q828 VanDerWaalsContact O-N 3.08Å
829	G	47.6	Very low	62.4	Low	81 Å²	81	74.8 Å²	74.8	84%	0.835	45%	0.449	S	S	*	.			trans	-129.6	87.4	-174.8	0	0	0	0	0	113.4
830	G	44.4	Very low	63.7	Low	54 Å²	54	73.5 Å²	73.5	56%	0.557	44%	0.443	S	S	*	.			trans	-174.3	85.9	173.5	0	0	0	0	0	112.1	G832	G830-G832 VanDerWaalsContact C-N 3.32Å; G830-G832 PolarHBondContact O-N 3.3Å
831	A	45.8	Very low	65.1	Low	115 Å²	115	72.1 Å²	72.1	95%	0.95	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	59.6	-169	0	0	0	0	0	114.9
832	G	44.8	Very low	66.2	Low	77 Å²	77	62.3 Å²	62.3	79%	0.794	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.8	-21	-179.5	0	0	0	0	0	118.5	G830	G830-G832 VanDerWaalsContact C-N 3.32Å; G830-G832 PolarHBondContact O-N 3.3Å
833	S	49.4	Very low	67.1	Low	87 Å²	87	66.5 Å²	66.5	61%	0.608	42%	0.423	S	S	*	.	S	Bend	trans	-141.3	19.1	-174.6	-170.9	0	0	0	0	114.2	G835	S833-G835 VanDerWaalsContact C-N 3.33Å; S833-G835 PolarHBondContact O-N 3.05Å
834	E	52.1	Low	68	Low	71 Å²	71	65.8 Å²	65.8	33%	0.332	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.5	-175.3	-78.9	-164.3	146.2	0	0	114.7	K811	K811-E834 WeakPolarHBondContact CE-OE2 3.4Å; K811-E834 IonicContact NZ-OE2 2.81Å; K811-E834 PolarHBondContact NZ-OE2 3.35Å
835	G	56.5	Low	68.6	Low	63 Å²	63	69.1 Å²	69.1	65%	0.649	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-22	-173.1	0	0	0	0	0	115.4	S833	S833-G835 VanDerWaalsContact C-N 3.33Å; S833-G835 PolarHBondContact O-N 3.05Å
836	S	68.3	Low	69.5	Low	39 Å²	39	73.8 Å²	73.8	27%	0.273	45%	0.447	S	S	.	.	S	Bend	trans	-102.2	-15.2	-171.8	58.9	0	0	0	0	114.7	Y956 S957	S836-Y956 WeakPolarHBondContact O-CA 3.47Å; S836-Y956 WeakPolarHBondContact O-CB 3.44Å; S836-S957 PolarHBondContact O-N 2.81Å
837	L	83.1	Confident	70.7	Confident	42 Å²	42	64.8 Å²	64.8	22%	0.22	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.3	-178.4	-176.4	68	0	0	0	111.8	S957	L837-S957 WeakPolarHBondContact CA-O 3.29Å
838	R	88.9	Confident	72.3	Confident	39 Å²	39	59.7 Å²	59.7	15%	0.147	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.1	174.7	-59.9	-64.5	172.7	175.6	-11	110.7	L807 M808 Y956 S957 L958 G959	L807-R838 HydrophobicContact CB-CB 4.06Å; L807-R838 HydrophobicContact CB-CG 4.02Å; L807-R838 HydrophobicContact CD1-CB 4.21Å; L807-R838 HydrophobicContact CD1-CG 4.32Å; L807-R838 PolarHBondContact O-NH1 3.45Å; M808-R838 WeakPolarHBondContact O-CA 3.3Å; R838-Y956 HydrophobicContact CG-CD1 4.11Å; R838-Y956 HydrophobicContact CG-CD2 3.72Å; R838-Y956 HydrophobicContact CG-CE2 4.43Å; R838-Y956 HydrophobicContact CG-CG 3.55Å; R838-S957 PolarHBondContact N-O 2.8Å; R838-L958 HydrophobicContact CB-CD2 3.97Å; R838-L958 WeakPolarHBondContact O-CA 3.47Å; R838-G959 PolarHBondContact O-N 3.05Å
839	V	88.3	Confident	74.2	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131	-178.7	-175.7	0	0	0	0	109.9	M808 R810 F813 F824 F1126	M808-V839 PolarHBondContact O-N 3.21Å; R810-V839 HydrophobicContact CB-CG2 4.36Å; F813-V839 HydrophobicContact CB-CB 4.2Å; F813-V839 HydrophobicContact CB-CG1 4.3Å; F813-V839 HydrophobicContact CB-CG2 4.17Å; F813-V839 HydrophobicContact CD1-CG1 4.09Å; F813-V839 HydrophobicContact CD2-CB 4.38Å; F813-V839 HydrophobicContact CD2-CG1 3.7Å; F813-V839 HydrophobicContact CE1-CG1 4.32Å; F813-V839 HydrophobicContact CE2-CG1 3.96Å; F813-V839 HydrophobicContact CG-CB 4.22Å; F813-V839 HydrophobicContact CG-CG1 3.77Å; F813-V839 HydrophobicContact CG-CG2 4.39Å; F813-V839 HydrophobicContact CZ-CG1 4.26Å; F824-V839 HydrophobicContact CE1-CG2 4.02Å; F824-V839 HydrophobicContact CZ-CG2 3.95Å; V839-F1126 HydrophobicContact CG1-CE1 4.25Å; V839-F1126 HydrophobicContact CG1-CZ 4.19Å
840	V	89.9	Confident	76.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110.3	173.9	-172.1	0	0	0	0	108.4	K844 F923 L958 G959 Y960 E961 F1007	V840-K844 HydrophobicContact CG1-CB 4.39Å; V840-F923 HydrophobicContact CG1-CD2 4.22Å; V840-F923 HydrophobicContact CG1-CE1 4.42Å; V840-F923 HydrophobicContact CG1-CE2 3.94Å; V840-F923 HydrophobicContact CG1-CZ 4.05Å; V840-F923 HydrophobicContact CG2-CE1 4.03Å; V840-F923 HydrophobicContact CG2-CZ 3.86Å; V840-L958 HydrophobicContact CG2-CD2 4.03Å; V840-G959 PolarHBondContact N-O 2.84Å; V840-Y960 HydrophobicContact CB-CD1 3.9Å; V840-Y960 HydrophobicContact CB-CE1 4.36Å; V840-Y960 HydrophobicContact CG1-CD1 4.14Å; V840-Y960 HydrophobicContact CG2-CD1 4.25Å; V840-Y960 HydrophobicContact CG2-CE1 4.25Å; V840-E961 PolarHBondContact O-N 3.25Å; V840-F1007 HydrophobicContact CG1-CE2 3.71Å; V840-F1007 HydrophobicContact CG1-CZ 3.74Å
841	E	87.8	Confident	78.7	Confident	31 Å²	31	48.5 Å²	48.5	15%	0.145	31%	0.305	C	S	.	.			trans	-65.4	149.4	178.7	-50.5	-167.2	79.4	0	0	110.9	F813 R816 Q819 S843 K844 E961	F813-E841 HydrophobicContact CD2-CG 4.16Å; F813-E841 HydrophobicContact CE2-CG 3.93Å; R816-E841 IonicContact CZ-OE1 3.02Å; R816-E841 IonicContact CZ-OE2 2.84Å; R816-E841 IonicContact NH1-OE1 2.79Å; R816-E841 PolarHBondContact NH1-OE1 2.77Å; R816-E841 IonicContact NH1-OE2 2.74Å; R816-E841 PolarHBondContact NH1-OE2 2.99Å; R816-E841 IonicContact NH2-OE2 3.46Å; Q819-E841 PolarHBondContact NE2-OE1 2.9Å; E841-S843 PolarHBondContact O-N 2.93Å; E841-K844 HydrophobicContact CB-CB 4.24Å; E841-K844 PolarHBondContact O-N 2.88Å; E841-E961 WeakPolarHBondContact CA-OE2 3.36Å
842	G	82.9	Confident	80.8	Confident	3 Å²	3	46.7 Å²	46.7	3%	0.031	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.3	-175.2	0	0	0	0	0	114.1	E961 Y1006	G842-E961 PolarHBondContact N-OE2 3.22Å; G842-Y1006 WeakPolarHBondContact O-CB 3.39Å; G842-Y1006 PolarHBondContact O-N 3.31Å
843	S	83.3	Confident	83.1	Confident	94 Å²	94	43.2 Å²	43.2	66%	0.657	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-7.1	177.4	62	0	0	0	0	114.6	E841 K845	E841-S843 PolarHBondContact O-N 2.93Å; S843-K845 PolarHBondContact O-N 3.06Å
844	K	86.9	Confident	85.1	Confident	42 Å²	42	41.6 Å²	41.6	18%	0.183	22%	0.222	C	C	.	.			trans	-79.1	110.2	-174.7	-175.1	161.1	-179.5	146	0	111	D806 V840 E841 R846	D806-K844 PolarHBondContact O-NZ 3.3Å; D806-K844 IonicContact OD1-NZ 2.72Å; D806-K844 IonicContact OD2-NZ 3.31Å; D806-K844 PolarHBondContact OD2-NZ 3.36Å; V840-K844 HydrophobicContact CG1-CB 4.39Å; E841-K844 HydrophobicContact CB-CB 4.24Å; E841-K844 PolarHBondContact O-N 2.88Å; K844-R846 WeakPolarHBondContact CE-O 3.46Å
845	K	87.3	Confident	86.8	Confident	112 Å²	112	38.2 Å²	38.2	49%	0.487	21%	0.206	S	C	.	.			trans	-89.7	-28.9	-175.5	-60.1	-178.2	-178.4	173.8	0	114.3	S843 E922 F923 Y1006	S843-K845 PolarHBondContact O-N 3.06Å; K845-E922 WeakPolarHBondContact O-CA 3.31Å; K845-E922 WeakPolarHBondContact O-CG 3.41Å; K845-F923 PolarHBondContact O-N 2.79Å; K845-Y1006 HydrophobicContact CB-CE1 4.34Å; K845-Y1006 HydrophobicContact CD-CD2 4.08Å; K845-Y1006 HydrophobicContact CD-CE2 3.79Å; K845-Y1006 HydrophobicContact CG-CD1 4.18Å; K845-Y1006 HydrophobicContact CG-CD2 3.83Å; K845-Y1006 HydrophobicContact CG-CE1 4.16Å; K845-Y1006 HydrophobicContact CG-CE2 3.76Å; K845-Y1006 HydrophobicContact CG-CG 4.03Å
846	R	90.8	Very high	88.3	Confident	116 Å²	116	40.2 Å²	40.2	44%	0.438	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.8	-171.1	-63.7	-175	178	-174.4	2.3	112.7	K844 E920 F921 E922	K844-R846 WeakPolarHBondContact CE-O 3.46Å; R846-E920 IonicContact CZ-OE2 2.64Å; R846-E920 IonicContact NH1-OE2 3.17Å; R846-E920 PolarHBondContact NH1-OE2 3.21Å; R846-F921 CarbonylContact C-O 3.54Å; R846-F921 WeakPolarHBondContact CA-O 3.37Å; R846-F921 WeakPolarHBondContact CB-O 3.48Å; R846-E922 HydrophobicContact CG-CB 4.46Å; R846-E922 HydrophobicContact CG-CG 4.45Å
847	M	92.1	Very high	88.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.4	169.4	173.9	-172.1	177.7	0	0	108.4	N805 L807 V849 L873 F921 F923 L932 I954	N805-M847 HydrophobicContact CB-CE 3.73Å; L807-M847 HydrophobicContact CD1-CE 3.72Å; L807-M847 HydrophobicContact CD1-CG 4.28Å; L807-M847 HydrophobicContact CD1-SD 3.68Å; L807-M847 HydrophobicContact CD2-CB 4.32Å; L807-M847 HydrophobicContact CD2-CG 4.06Å; L807-M847 HydrophobicContact CD2-SD 4.43Å; L807-M847 HydrophobicContact CG-CE 4.08Å; L807-M847 HydrophobicContact CG-CG 4.01Å; L807-M847 HydrophobicContact CG-SD 4.08Å; M847-V849 HydrophobicContact CE-CG2 3.79Å; M847-L873 HydrophobicContact SD-CD1 4.35Å; M847-F921 PolarHBondContact N-O 3.16Å; M847-F921 PolarHBondContact O-N 3.29Å; M847-F923 HydrophobicContact CB-CE2 4.02Å; M847-F923 HydrophobicContact CB-CZ 4.03Å; M847-L932 HydrophobicContact CE-CD1 4.33Å; M847-L932 HydrophobicContact CE-CD2 4.41Å; M847-L932 HydrophobicContact SD-CD2 3.92Å; M847-I954 HydrophobicContact CE-CG2 4.48Å
848	V	93.6	Very high	88.9	Confident	32 Å²	32	43 Å²	43	19%	0.194	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.4	179.9	-178	0	0	0	0	110	N805 D806 R918 L919 E920	N805-V848 WeakPolarHBondContact CA-O 3.25Å; D806-V848 PolarHBondContact N-O 2.74Å; D806-V848 PolarHBondContact OD1-N 2.89Å; V848-R918 VanDerWaalsContact CG1-CD 3.44Å; V848-R918 HydrophobicContact CG1-CG 3.45Å; V848-R918 VanDerWaalsContact CG1-CG 3.45Å; V848-L919 WeakPolarHBondContact CA-O 3.22Å; V848-E920 HydrophobicContact CG2-CG 4.47Å
849	V	93.9	Very high	88.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.1	173.9	-176.5	0	0	0	0	109.4	A804 N805 M847 V851 L919 F921 I954	A804-V849 CarbonylContact O-C 3.51Å; A804-V849 VanDerWaalsContact O-CA 3.31Å; A804-V849 WeakPolarHBondContact O-CA 3.28Å; N805-V849 HydrophobicContact CB-CG2 4.29Å; M847-V849 HydrophobicContact CE-CG2 3.79Å; V849-V851 HydrophobicContact CG1-CG2 3.92Å; V849-L919 HydrophobicContact CB-CB 4.26Å; V849-L919 PolarHBondContact N-O 2.78Å; V849-L919 PolarHBondContact O-N 3.11Å; V849-F921 HydrophobicContact CB-CE2 4.41Å; V849-F921 HydrophobicContact CG2-CD2 4.24Å; V849-F921 HydrophobicContact CG2-CE2 4.02Å; V849-I954 HydrophobicContact CB-CD1 4.45Å; V849-I954 HydrophobicContact CG1-CD1 3.5Å; V849-I954 VanDerWaalsContact CG1-CD1 3.5Å; V849-I954 HydrophobicContact CG2-CD1 4.03Å
850	D	93	Very high	88	Confident	48 Å²	48	44.6 Å²	44.6	26%	0.257	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.1	174.7	-74.4	-35.8	0	0	0	109.6	S803 A804 K881 R918	S803-D850 CarbonylContact C-O 3.47Å; S803-D850 WeakPolarHBondContact CA-O 3.38Å; A804-D850 PolarHBondContact N-O 3.01Å; A804-D850 PolarHBondContact O-N 3.34Å; D850-K881 WeakPolarHBondContact OD1-CE 3.45Å; D850-K881 IonicContact OD1-NZ 3.32Å; D850-K881 PolarHBondContact OD1-NZ 2.76Å; D850-K881 IonicContact OD2-NZ 3.78Å; D850-K881 PolarHBondContact OD2-NZ 3.42Å; D850-R918 WeakPolarHBondContact OD1-CB 3.37Å; D850-R918 WeakPolarHBondContact OD1-CG 3.46Å; D850-R918 IonicContact OD1-CZ 2.81Å; D850-R918 IonicContact OD1-NE 2.96Å; D850-R918 PolarHBondContact OD1-NE 2.91Å; D850-R918 IonicContact OD1-NH2 3.36Å; D850-R918 PolarHBondContact OD1-NH2 3.38Å; D850-R918 IonicContact OD2-CZ 3.3Å; D850-R918 IonicContact OD2-NE 2.73Å; D850-R918 IonicContact OD2-NH2 3.09Å; D850-R918 PolarHBondContact OD2-NH2 2.64Å
851	V	93.1	Very high	87.3	Confident	6 Å²	6	45.8 Å²	45.8	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.7	-171.5	-174.2	0	0	0	0	111.2	L801 Q802 V849 S916 F917 L919 L936	L801-V851 HydrophobicContact CD2-CG1 3.91Å; Q802-V851 CarbonylContact O-C 3.56Å; Q802-V851 WeakPolarHBondContact O-CA 3.41Å; V849-V851 HydrophobicContact CG1-CG2 3.92Å; V851-S916 WeakPolarHBondContact O-CA 3.41Å; V851-F917 HydrophobicContact CB-CD2 4.05Å; V851-F917 HydrophobicContact CB-CE1 4.48Å; V851-F917 HydrophobicContact CB-CE2 3.67Å; V851-F917 HydrophobicContact CB-CZ 3.92Å; V851-F917 HydrophobicContact CG1-CE1 4.22Å; V851-F917 HydrophobicContact CG1-CE2 3.86Å; V851-F917 HydrophobicContact CG1-CZ 3.61Å; V851-F917 HydrophobicContact CG2-CE2 4.08Å; V851-F917 PolarHBondContact N-O 3.35Å; V851-F917 PolarHBondContact O-N 3.36Å; V851-F917 VanDerWaalsContact O-O 3.12Å; V851-L919 HydrophobicContact CG2-CD1 3.87Å; V851-L919 HydrophobicContact CG2-CG 4.07Å; V851-L936 HydrophobicContact CB-CD1 4.45Å; V851-L936 HydrophobicContact CG1-CD1 4Å; V851-L936 HydrophobicContact CG2-CD1 3.53Å
852	K	91.6	Very high	86.7	Confident	77 Å²	77	46.6 Å²	46.6	34%	0.335	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.8	171.3	-174.2	-178.6	-178.9	-169.3	0	109.8	L801 Q802 Q914	L801-K852 WeakPolarHBondContact CA-O 3.36Å; Q802-K852 HydrophobicContact CB-CB 4.49Å; Q802-K852 PolarHBondContact N-O 2.96Å; Q802-K852 PolarHBondContact O-N 3.3Å; K852-Q914 VanDerWaalsContact NZ-OE1 3.09Å
853	L	91.9	Very high	86.8	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.4	176.5	175.8	68.6	0	0	0	110.6	S800 L801 V865 I904 M909 Q914 V915 F917 A938	S800-L853 WeakPolarHBondContact O-CA 3.36Å; L801-L853 HydrophobicContact CD2-CB 3.85Å; L801-L853 HydrophobicContact CD2-CD1 3.6Å; L801-L853 HydrophobicContact CD2-CG 4.28Å; L801-L853 HydrophobicContact CG-CD1 3.96Å; L853-V865 HydrophobicContact CD2-CG2 3.73Å; L853-I904 HydrophobicContact CD2-CB 4.42Å; L853-I904 HydrophobicContact CD2-CD1 4.21Å; L853-I904 HydrophobicContact CD2-CG1 3.77Å; L853-I904 HydrophobicContact CD2-CG2 4.1Å; L853-M909 HydrophobicContact CD2-SD 4.15Å; L853-M909 HydrophobicContact CG-CE 4.39Å; L853-Q914 CarbonylContact O-C 3.53Å; L853-Q914 VanDerWaalsContact O-CA 3.31Å; L853-Q914 WeakPolarHBondContact O-CA 3.34Å; L853-V915 HydrophobicContact CB-CG1 3.97Å; L853-V915 HydrophobicContact CD2-CG1 4.32Å; L853-V915 PolarHBondContact N-O 3.38Å; L853-V915 PolarHBondContact O-N 2.8Å; L853-F917 HydrophobicContact CB-CE1 4.24Å; L853-A938 HydrophobicContact CD1-CB 3.86Å
854	E	90.8	Very high	87.1	Confident	54 Å²	54	44 Å²	44	25%	0.252	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.3	179.5	-175.8	179.1	-160.5	0	0	110.4	L799 S800 R856 Q914	L799-E854 CarbonylContact C-O 3.59Å; L799-E854 WeakPolarHBondContact CA-O 3.17Å; S800-E854 PolarHBondContact N-O 2.75Å; S800-E854 PolarHBondContact O-N 2.81Å; E854-R856 HydrophobicContact CG-CG 3.88Å; E854-R856 IonicContact OE1-NE 2.89Å; E854-R856 IonicContact OE2-CZ 3.64Å; E854-R856 IonicContact OE2-NE 3.6Å; E854-R856 PolarHBondContact OE2-NE 3.04Å; E854-R856 IonicContact OE2-NH2 2.68Å; E854-R856 PolarHBondContact OE2-NH2 2.87Å; E854-Q914 HydrophobicContact CB-CB 4.2Å; E854-Q914 HydrophobicContact CG-CB 4.15Å
855	N	89.3	Confident	87.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114.1	167.1	179	9.1	0	0	0	108.8	D798 L799 G857 E858 M909 R910 K912 S913	D798-N855 CarbonylContact O-C 3.52Å; D798-N855 WeakPolarHBondContact O-CA 3.39Å; D798-N855 PolarHBondContact O-OD1 2.82Å; L799-N855 HydrophobicContact CD2-CB 3.78Å; N855-G857 PolarHBondContact OD1-N 3.43Å; N855-E858 PolarHBondContact ND2-O 3.32Å; N855-M909 HydrophobicContact CB-CE 3.71Å; N855-M909 HydrophobicContact CB-CG 4.1Å; N855-M909 HydrophobicContact CB-SD 3.97Å; N855-M909 PolarHBondContact ND2-O 2.6Å; N855-R910 PolarHBondContact ND2-O 3.08Å; N855-K912 CarbonylContact O-C 3.57Å; N855-K912 WeakPolarHBondContact O-CA 3.36Å; N855-K912 PolarHBondContact O-N 2.83Å; N855-S913 PolarHBondContact N-O 3.33Å; N855-S913 PolarHBondContact O-N 3.21Å
856	R	88	Confident	87.4	Confident	104 Å²	104	38 Å²	38	39%	0.392	18%	0.182	S	C	.	.			trans	-98.4	-10.9	-178	-61.2	179.2	-176.5	137.7	13.5	113.4	D798 S800 E854 D949	D798-R856 HydrophobicContact CB-CB 4.28Å; D798-R856 PolarHBondContact O-N 3.44Å; D798-R856 WeakPolarHBondContact OD2-CB 3.08Å; S800-R856 PolarHBondContact OG-NH1 3.29Å; S800-R856 PolarHBondContact OG-NH2 3.35Å; S800-R856 VanDerWaalsContact OG-NH2 3.07Å; E854-R856 HydrophobicContact CG-CG 3.88Å; E854-R856 IonicContact OE1-NE 2.89Å; E854-R856 IonicContact OE2-CZ 3.64Å; E854-R856 IonicContact OE2-NE 3.6Å; E854-R856 PolarHBondContact OE2-NE 3.04Å; E854-R856 IonicContact OE2-NH2 2.68Å; E854-R856 PolarHBondContact OE2-NH2 2.87Å; R856-D949 IonicContact NH1-OD2 3.79Å; R856-D949 PolarHBondContact NH1-OD2 2.57Å
857	G	81.1	Confident	87.5	Confident	22 Å²	22	32.4 Å²	32.4	23%	0.227	16%	0.161	C	C	.	.	S	Bend	trans	-106.1	-146.9	-173.2	0	0	0	0	0	114.5	N855 A911	N855-G857 PolarHBondContact OD1-N 3.43Å; G857-A911 VanDerWaalsContact O-CA 3.31Å; G857-A911 WeakPolarHBondContact O-CA 3.39Å; G857-A911 WeakPolarHBondContact O-CB 3.47Å
858	E	82.4	Confident	87.5	Confident	117 Å²	117	34.9 Å²	34.9	55%	0.547	18%	0.176	S	C	.	.	S	Bend	trans	-74.9	-176.3	176.7	-61.3	-173.6	156.6	0	0	112.6	M796 N855 A860	M796-E858 PolarHBondContact N-OE2 2.95Å; M796-E858 WeakPolarHBondContact O-CB 3.37Å; M796-E858 PolarHBondContact O-N 3.32Å; N855-E858 PolarHBondContact ND2-O 3.32Å; E858-A860 PolarHBondContact O-N 2.83Å
859	N	80.3	Confident	87.4	Confident	75 Å²	75	34 Å²	34	40%	0.401	17%	0.17	S	C	.	.			trans	-63.5	121.4	179.4	-70.1	-26.1	0	0	0	110.6	Y861 F908 A911	N859-Y861 PolarHBondContact O-N 2.89Å; N859-F908 HydrophobicContact CB-CD2 4.03Å; N859-A911 PolarHBondContact OD1-N 2.84Å
860	A	78.5	Confident	87.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	99.9	176.8	0	0	0	0	0	109.2	P797 L799 E858 A863 F908 M909	P797-A860 HydrophobicContact CB-CB 3.68Å; P797-A860 HydrophobicContact CG-CB 4.36Å; L799-A860 HydrophobicContact CD2-CB 4.24Å; E858-A860 PolarHBondContact O-N 2.83Å; A860-A863 HydrophobicContact CB-CB 3.95Å; A860-F908 CarbonylContact O-C 3.49Å; A860-F908 WeakPolarHBondContact O-CA 3.01Å; A860-F908 WeakPolarHBondContact O-CB 3.19Å; A860-M909 HydrophobicContact CB-CB 4.32Å; A860-M909 PolarHBondContact N-O 2.82Å; A860-M909 PolarHBondContact O-N 2.78Å
861	Y	75.2	Confident	87.2	Confident	26 Å²	26	35 Å²	35	10%	0.102	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137	175.8	-159.1	-86.1	0	0	0	110.6	N787 N859 A863 P907 F908 D941	N787-Y861 HydrophobicContact CB-CD1 3.87Å; N787-Y861 HydrophobicContact CB-CD2 4.27Å; N787-Y861 HydrophobicContact CB-CE1 3.49Å; N787-Y861 VanDerWaalsContact CB-CE1 3.49Å; N787-Y861 HydrophobicContact CB-CE2 3.89Å; N787-Y861 HydrophobicContact CB-CG 4.25Å; N787-Y861 VanDerWaalsContact CB-CZ 3.47Å; N787-Y861 WeakPolarHBondContact ND2-CE1 3.41Å; N787-Y861 WeakPolarHBondContact O-CD2 3.33Å; N787-Y861 WeakPolarHBondContact O-CE2 3.23Å; N787-Y861 WeakPolarHBondContact OD1-CE1 3.46Å; N787-Y861 PolarHBondContact OD1-OH 2.8Å; N859-Y861 PolarHBondContact O-N 2.89Å; Y861-A863 PolarHBondContact O-N 2.88Å; Y861-P907 HydrophobicContact CE2-CB 4.11Å; Y861-F908 HydrophobicContact CD2-CB 4.38Å; Y861-D941 PolarHBondContact O-N 2.97Å
862	N	75.3	Confident	87	Confident	47 Å²	47	34.8 Å²	34.8	25%	0.251	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	50.9	-171.1	-74	-29.5	0	0	0	111.6	L864 P907 D941	N862-L864 WeakPolarHBondContact O-CG 3.36Å; N862-L864 PolarHBondContact O-N 3.13Å; N862-L864 VanDerWaalsContact O-N 3.11Å; N862-P907 PolarHBondContact N-O 2.88Å; N862-D941 WeakPolarHBondContact CB-OD2 3.4Å; N862-D941 PolarHBondContact ND2-OD2 2.82Å
863	A	84.9	Confident	87	Confident	3 Å²	3	31.2 Å²	31.2	3%	0.025	16%	0.161	C	C	.	.			trans	-61.8	117.7	173.4	0	0	0	0	0	109.6	A860 Y861 I904 M909 T939	A860-A863 HydrophobicContact CB-CB 3.95Å; Y861-A863 PolarHBondContact O-N 2.88Å; A863-I904 HydrophobicContact CB-CB 4.25Å; A863-I904 PolarHBondContact O-N 2.78Å; A863-M909 HydrophobicContact CB-CB 3.6Å; A863-T939 CarbonylContact C-O 3.21Å; A863-T939 WeakPolarHBondContact CA-O 3.33Å
864	L	88.1	Confident	86.9	Confident	40 Å²	40	38.2 Å²	38.2	21%	0.209	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.2	-174.9	-71	175.4	0	0	0	109.7	N862 I901 C902 N903 A938 T939	N862-L864 WeakPolarHBondContact O-CG 3.36Å; N862-L864 PolarHBondContact O-N 3.13Å; N862-L864 VanDerWaalsContact O-N 3.11Å; L864-I901 HydrophobicContact CB-CG2 4.37Å; L864-I901 HydrophobicContact CD1-CG2 3.99Å; L864-I901 HydrophobicContact CD2-CG2 3.44Å; L864-I901 VanDerWaalsContact CD2-CG2 3.44Å; L864-I901 HydrophobicContact CG-CG2 4.13Å; L864-C902 CarbonylContact C-O 3.31Å; L864-C902 WeakPolarHBondContact CA-O 3.45Å; L864-N903 HydrophobicContact CD2-CB 4.4Å; L864-N903 WeakPolarHBondContact CD2-OD1 3.33Å; L864-A938 CarbonylContact O-C 3.52Å; L864-A938 WeakPolarHBondContact O-CA 3.37Å; L864-T939 PolarHBondContact N-O 3.34Å; L864-T939 PolarHBondContact O-N 3.09Å
865	V	91.1	Very high	86.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.2	159.5	179.8	0	0	0	0	107.5	L853 I867 C902 I904 E937	L853-V865 HydrophobicContact CD2-CG2 3.73Å; V865-I867 HydrophobicContact CG1-CG1 3.93Å; V865-C902 HydrophobicContact CB-CB 4.49Å; V865-C902 PolarHBondContact N-O 3.08Å; V865-C902 PolarHBondContact O-N 3.26Å; V865-I904 HydrophobicContact CG2-CD1 3.98Å; V865-I904 HydrophobicContact CG2-CG1 3.9Å; V865-E937 CarbonylContact C-O 3.57Å; V865-E937 WeakPolarHBondContact CA-O 3.47Å
866	N	90.8	Very high	86.7	Confident	27 Å²	27	39.9 Å²	39.9	14%	0.144	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.3	169.7	-167.1	-8.9	0	0	0	109.4	E899 L936 E937	N866-E899 PolarHBondContact ND2-OE1 3.08Å; N866-E899 WeakPolarHBondContact OD1-CG 3.1Å; N866-E899 PolarHBondContact OD1-OE1 3.31Å; N866-L936 CarbonylContact O-C 3.23Å; N866-L936 WeakPolarHBondContact O-CA 2.84Å; N866-E937 HydrophobicContact CB-CB 4.39Å; N866-E937 PolarHBondContact N-O 2.77Å; N866-E937 PolarHBondContact O-N 3.24Å
867	I	92.4	Very high	86.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	99	179.6	-51.9	175.6	0	0	0	106.8	V865 Y869 F875 E899 K900 L919 F921 V934 L936	V865-I867 HydrophobicContact CG1-CG1 3.93Å; I867-Y869 HydrophobicContact CG2-CD1 4.19Å; I867-F875 HydrophobicContact CD1-CE2 4.04Å; I867-E899 CarbonylContact O-C 3.54Å; I867-E899 WeakPolarHBondContact O-CA 3.35Å; I867-K900 HydrophobicContact CB-CB 4.17Å; I867-K900 WeakPolarHBondContact CB-O 3.25Å; I867-K900 PolarHBondContact N-O 3.48Å; I867-K900 PolarHBondContact O-N 3.34Å; I867-L919 HydrophobicContact CD1-CD1 3.99Å; I867-L919 HydrophobicContact CD1-CD2 3.99Å; I867-L919 HydrophobicContact CG2-CD1 4.35Å; I867-F921 HydrophobicContact CG2-CE1 4.37Å; I867-F921 HydrophobicContact CG2-CZ 3.95Å; I867-V934 HydrophobicContact CG2-CG1 4.46Å; I867-L936 HydrophobicContact CB-CD2 4.12Å; I867-L936 HydrophobicContact CD1-CD2 4.47Å; I867-L936 HydrophobicContact CG1-CD2 3.78Å; I867-L936 HydrophobicContact CG2-CD2 3.76Å
868	T	91.6	Very high	87.2	Confident	51 Å²	51	37.5 Å²	37.5	31%	0.313	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.7	172.8	-61.7	0	0	0	0	109.3	V934 L935	T868-V934 CarbonylContact O-C 3.46Å; T868-V934 WeakPolarHBondContact O-CA 3.32Å; T868-L935 PolarHBondContact N-O 2.84Å; T868-L935 PolarHBondContact O-N 2.89Å
869	Y	92.6	Very high	87.4	Confident	15 Å²	15	35.7 Å²	35.7	6%	0.059	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.4	179.1	51.1	-88.7	0	0	0	111.8	I867 L873 F875 R897 N898 K900 F921 R933	I867-Y869 HydrophobicContact CG2-CD1 4.19Å; Y869-L873 HydrophobicContact CD2-CB 4.12Å; Y869-L873 WeakPolarHBondContact CD2-O 2.8Å; Y869-L873 WeakPolarHBondContact CE2-O 3.35Å; Y869-F875 HydrophobicContact CE1-CB 3.9Å; Y869-R897 PolarHBondContact OH-O 3.37Å; Y869-N898 WeakPolarHBondContact CD1-O 3.46Å; Y869-N898 HydrophobicContact CD2-CB 3.98Å; Y869-N898 WeakPolarHBondContact CE1-O 3.26Å; Y869-N898 HydrophobicContact CE2-CB 3.83Å; Y869-N898 PolarHBondContact N-O 2.93Å; Y869-N898 WeakPolarHBondContact O-CB 3.42Å; Y869-K900 HydrophobicContact CE1-CG 4.1Å; Y869-F921 AromaticContact CD1-CE1 3.73Å; Y869-F921 HydrophobicContact CD1-CE1 3.73Å; Y869-F921 HydrophobicContact CE1-CE1 4.31Å; Y869-F921 HydrophobicContact CG-CD1 4.36Å; Y869-F921 AromaticContact CG-CE1 3.9Å; Y869-F921 HydrophobicContact CG-CE1 3.9Å; Y869-R933 CarbonylContact C-O 3.48Å; Y869-R933 VanDerWaalsContact CA-O 3.26Å; Y869-R933 WeakPolarHBondContact CA-O 3.49Å
870	T	92.4	Very high	87.7	Confident	14 Å²	14	34.8 Å²	34.8	9%	0.086	18%	0.183	C	C	.	.			trans	-69.9	148	176.3	43.2	0	0	0	0	111.5	N872 L873 L929 L932 R933	T870-N872 WeakPolarHBondContact CB-OD1 3.29Å; T870-N872 PolarHBondContact O-N 3.42Å; T870-N872 PolarHBondContact O-OD1 3.17Å; T870-N872 PolarHBondContact OG1-OD1 2.83Å; T870-L873 PolarHBondContact O-N 3.02Å; T870-L929 HydrophobicContact CG2-CD1 4.34Å; T870-L932 WeakPolarHBondContact OG1-CA 3.33Å; T870-R933 HydrophobicContact CG2-CB 3.69Å; T870-R933 VanDerWaalsContact CG2-N 3.28Å; T870-R933 PolarHBondContact N-O 2.92Å; T870-R933 PolarHBondContact OG1-N 3.09Å; T870-R933 VanDerWaalsContact OG1-N 3.12Å; T870-R933 PolarHBondContact OG1-O 3.43Å
871	P	89.4	Confident	87.7	Confident	54 Å²	54	39.7 Å²	39.7	35%	0.351	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.2	-174.1	-1.8	-0.6	0	0	0	116.3	L873 N898 V927 L929	P871-L873 PolarHBondContact O-N 3.15Å; P871-N898 WeakPolarHBondContact CA-ND2 3.48Å; P871-N898 WeakPolarHBondContact CB-ND2 3.48Å; P871-N898 VanDerWaalsContact CD-ND2 3.27Å; P871-N898 WeakPolarHBondContact CD-ND2 3.39Å; P871-N898 WeakPolarHBondContact CG-ND2 3.13Å; P871-V927 HydrophobicContact CB-CB 4.49Å; P871-V927 HydrophobicContact CB-CG1 3.93Å; P871-L929 HydrophobicContact CG-CD1 4.17Å
872	N	89.6	Confident	87.3	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.011	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-6.2	169.9	60.6	-30.6	0	0	0	113.1	T870 S924 V927 L929 H931 L958 Y960	T870-N872 WeakPolarHBondContact CB-OD1 3.29Å; T870-N872 PolarHBondContact O-N 3.42Å; T870-N872 PolarHBondContact O-OD1 3.17Å; T870-N872 PolarHBondContact OG1-OD1 2.83Å; N872-S924 WeakPolarHBondContact O-CB 3.44Å; N872-S924 PolarHBondContact O-N 3.29Å; N872-V927 WeakPolarHBondContact CA-O 3.28Å; N872-V927 WeakPolarHBondContact CB-O 3.24Å; N872-L929 HydrophobicContact CB-CB 4.29Å; N872-L929 HydrophobicContact CB-CD1 4.39Å; N872-L929 HydrophobicContact CB-CG 4.33Å; N872-H931 PolarHBondContact ND2-O 2.97Å; N872-L958 VanDerWaalsContact ND2-CD1 3.35Å; N872-L958 WeakPolarHBondContact ND2-CD1 3.38Å; N872-Y960 PolarHBondContact ND2-OH 3.28Å
873	L	90.6	Very high	86.4	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.3	173.2	-62.9	175.3	0	0	0	110.9	M847 Y869 T870 P871 F921 E922 F923 L932 V934	M847-L873 HydrophobicContact SD-CD1 4.35Å; Y869-L873 HydrophobicContact CD2-CB 4.12Å; Y869-L873 WeakPolarHBondContact CD2-O 2.8Å; Y869-L873 WeakPolarHBondContact CE2-O 3.35Å; T870-L873 PolarHBondContact O-N 3.02Å; P871-L873 PolarHBondContact O-N 3.15Å; L873-F921 HydrophobicContact CB-CB 4.34Å; L873-F921 HydrophobicContact CB-CD1 4.28Å; L873-F921 HydrophobicContact CD2-CB 4.19Å; L873-E922 CarbonylContact C-O 3.45Å; L873-F923 HydrophobicContact CD2-CD1 3.54Å; L873-F923 HydrophobicContact CD2-CE1 3.54Å; L873-F923 HydrophobicContact CD2-CG 4.23Å; L873-F923 HydrophobicContact CD2-CZ 4.23Å; L873-L932 HydrophobicContact CD1-CB 4.27Å; L873-V934 HydrophobicContact CD1-CG2 3.66Å
874	R	89.9	Confident	85.1	Confident	151 Å²	151	49.9 Å²	49.9	57%	0.57	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.1	171.3	-68.5	-174.3	175.3	-170.6	-2.1	108.8	S876 F921 E922	R874-S876 PolarHBondContact O-N 3.27Å; R874-F921 CarbonylContact O-C 3.23Å; R874-F921 WeakPolarHBondContact O-CA 3Å; R874-E922 HydrophobicContact CB-CB 4.5Å; R874-E922 PolarHBondContact N-O 2.62Å; R874-E922 PolarHBondContact O-N 3.32Å
875	F	89.1	Confident	83.9	Confident	41 Å²	41	56.5 Å²	56.5	18%	0.18	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	122.3	173.5	-173.1	-88.9	0	0	0	110.4	I867 Y869 L878 K900 L919 F921	I867-F875 HydrophobicContact CD1-CE2 4.04Å; Y869-F875 HydrophobicContact CE1-CB 3.9Å; F875-L878 HydrophobicContact CZ-CB 3.91Å; F875-K900 HydrophobicContact CB-CG 4.2Å; F875-K900 HydrophobicContact CD1-CG 4.25Å; F875-K900 HydrophobicContact CD2-CG 4.33Å; F875-K900 HydrophobicContact CG-CG 4.03Å; F875-L919 HydrophobicContact CE2-CD2 4Å; F875-L919 HydrophobicContact CZ-CD2 4.46Å; F875-F921 HydrophobicContact CB-CD1 4.36Å; F875-F921 HydrophobicContact CB-CE1 4.28Å; F875-F921 HydrophobicContact CD2-CD1 4.35Å; F875-F921 AromaticContact CD2-CE1 3.73Å; F875-F921 HydrophobicContact CD2-CE1 3.73Å; F875-F921 HydrophobicContact CD2-CZ 4.08Å; F875-F921 HydrophobicContact CG-CE1 4.49Å
876	S	87.6	Confident	82.9	Confident	48 Å²	48	57.7 Å²	57.7	34%	0.336	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-54.8	-177.5	-174.9	0	0	0	0	111.3	R874 E920	R874-S876 PolarHBondContact O-N 3.27Å; S876-E920 WeakPolarHBondContact CA-O 3.01Å; S876-E920 WeakPolarHBondContact CB-O 3.45Å; S876-E920 PolarHBondContact N-O 3.05Å
877	S	88	Confident	82.2	Confident	36 Å²	36	63.5 Å²	63.5	25%	0.252	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	162.6	-179.6	67.5	0	0	0	0	112.5	E920	S877-E920 PolarHBondContact N-O 3.25Å; S877-E920 PolarHBondContact O-N 2.84Å
878	L	90.5	Very high	81.8	Confident	39 Å²	39	64.8 Å²	64.8	20%	0.204	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129	167.8	-179.6	157.2	0	0	0	108.7	F875 V880 I888 F917 R918 L919	F875-L878 HydrophobicContact CZ-CB 3.91Å; L878-V880 HydrophobicContact CD2-CG2 3.84Å; L878-I888 HydrophobicContact CD1-CG2 3.97Å; L878-I888 HydrophobicContact CD2-CB 4.39Å; L878-I888 HydrophobicContact CD2-CD1 4.36Å; L878-I888 HydrophobicContact CD2-CG2 4.12Å; L878-F917 HydrophobicContact CD1-CD2 3.64Å; L878-F917 HydrophobicContact CD1-CE2 3.97Å; L878-F917 HydrophobicContact CD1-CG 4.26Å; L878-F917 HydrophobicContact CD2-CB 3.98Å; L878-F917 HydrophobicContact CD2-CD2 4.41Å; L878-F917 HydrophobicContact CD2-CG 4.35Å; L878-F917 HydrophobicContact CG-CB 4.27Å; L878-F917 HydrophobicContact CG-CD2 3.91Å; L878-F917 HydrophobicContact CG-CG 4.35Å; L878-R918 CarbonylContact C-O 3.52Å; L878-R918 VanDerWaalsContact CA-O 3.3Å; L878-R918 WeakPolarHBondContact CA-O 3.14Å; L878-L919 HydrophobicContact CB-CD2 4.11Å; L878-L919 HydrophobicContact CD1-CD2 3.56Å; L878-L919 HydrophobicContact CG-CD2 3.82Å
879	I	87.3	Confident	81.3	Confident	80 Å²	80	66.9 Å²	66.9	41%	0.41	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.9	-178.3	-54.7	172.4	0	0	0	108.3	F917 R918	I879-F917 CarbonylContact O-C 3.41Å; I879-F917 WeakPolarHBondContact O-CA 3.27Å; I879-R918 HydrophobicContact CB-CB 4.39Å; I879-R918 PolarHBondContact N-O 2.89Å; I879-R918 PolarHBondContact O-N 2.87Å
880	V	86.3	Confident	80.9	Confident	55 Å²	55	68.2 Å²	68.2	33%	0.333	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.4	175.9	-172.7	0	0	0	0	108.8	L878 I888 V915	L878-V880 HydrophobicContact CD2-CG2 3.84Å; V880-I888 HydrophobicContact CG2-CD1 4.17Å; V880-I888 HydrophobicContact CG2-CG1 4.48Å; V880-V915 HydrophobicContact CG1-CG2 4.08Å
881	K	79.4	Confident	80	Confident	104 Å²	104	70 Å²	70	45%	0.452	37%	0.369	S	S	.	.			trans	-86.3	-22.2	-174.7	-72	-171.9	177	-177.4	0	113.7	D850 S916	D850-K881 WeakPolarHBondContact OD1-CE 3.45Å; D850-K881 IonicContact OD1-NZ 3.32Å; D850-K881 PolarHBondContact OD1-NZ 2.76Å; D850-K881 IonicContact OD2-NZ 3.78Å; D850-K881 PolarHBondContact OD2-NZ 3.42Å; K881-S916 PolarHBondContact N-O 3.25Å
882	D	66.8	Low	78.8	Confident	99 Å²	99	71.4 Å²	71.4	53%	0.529	38%	0.377	S	S	.	.	S	Bend	trans	-113.9	156.7	-174.5	-123.6	-22.3	0	0	0	112.3	S884	D882-S884 VanDerWaalsContact C-N 3.29Å; D882-S884 PolarHBondContact O-N 2.77Å
883	T	56.4	Low	77.3	Confident	148 Å²	148	76 Å²	76	91%	0.908	40%	0.398	S	S	*	.			trans	-91.8	30.1	179.3	49.4	0	0	0	0	113.4
884	S	56.7	Low	75.5	Confident	43 Å²	43	85.7 Å²	85.7	30%	0.301	44%	0.443	S	S	.	.			trans	-65.3	148.9	176	51.6	0	0	0	0	112.4	D882 I886	D882-S884 VanDerWaalsContact C-N 3.29Å; D882-S884 PolarHBondContact O-N 2.77Å; S884-I886 PolarHBondContact O-N 3.37Å
885	E	63.6	Low	73.8	Confident	179 Å²	179	87.6 Å²	87.6	84%	0.836	46%	0.456	S	S	*	.	S	Bend	trans	-58.7	5.2	171.8	-64.4	-174.8	163.9	0	0	114.9	R910	E885-R910 IonicContact OE2-NH1 3.85Å
886	I	70.7	Confident	72.4	Confident	24 Å²	24	90.4 Å²	90.4	12%	0.123	47%	0.468	C	S	.	.			trans	-85.3	117.7	-176.5	-63.1	172.4	0	0	0	109.3	S884 I888 I904 S905 Q914 V915	S884-I886 PolarHBondContact O-N 3.37Å; I886-I888 HydrophobicContact CG2-CG1 4.48Å; I886-I904 HydrophobicContact CG2-CG2 3.96Å; I886-S905 WeakPolarHBondContact CA-OG 3.17Å; I886-S905 VanDerWaalsContact CG2-OG 3.3Å; I886-S905 WeakPolarHBondContact CG2-OG 3.5Å; I886-Q914 WeakPolarHBondContact CD1-O 3.13Å; I886-V915 HydrophobicContact CB-CB 4.47Å; I886-V915 HydrophobicContact CB-CG2 4.42Å; I886-V915 HydrophobicContact CD1-CB 3.89Å; I886-V915 HydrophobicContact CG2-CB 4Å; I886-V915 HydrophobicContact CG2-CG1 4.23Å; I886-V915 HydrophobicContact CG2-CG2 4.04Å
887	K	76.4	Confident	71.4	Confident	149 Å²	149	99.2 Å²	99.2	65%	0.648	49%	0.494	S	S	*	.			trans	-96.4	127.4	176.3	-173.1	179.5	176.4	-172.4	0	110.1	S905	K887-S905 PolarHBondContact N-OG 2.93Å; K887-S905 WeakPolarHBondContact O-CA 3.38Å; K887-S905 PolarHBondContact O-N 2.87Å
888	I	83.8	Confident	71.2	Confident	27 Å²	27	99.9 Å²	99.9	14%	0.138	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.2	173.5	-58.8	-177.7	0	0	0	108.6	L878 V880 I886 C902 N903 I904 V915 F917	L878-I888 HydrophobicContact CD1-CG2 3.97Å; L878-I888 HydrophobicContact CD2-CB 4.39Å; L878-I888 HydrophobicContact CD2-CD1 4.36Å; L878-I888 HydrophobicContact CD2-CG2 4.12Å; V880-I888 HydrophobicContact CG2-CD1 4.17Å; V880-I888 HydrophobicContact CG2-CG1 4.48Å; I886-I888 HydrophobicContact CG2-CG1 4.48Å; I888-C902 HydrophobicContact CG2-CB 4.12Å; I888-N903 WeakPolarHBondContact CA-O 3.05Å; I888-I904 HydrophobicContact CB-CD1 4.39Å; I888-I904 HydrophobicContact CD1-CD1 3.89Å; I888-I904 HydrophobicContact CG1-CD1 3.77Å; I888-I904 HydrophobicContact CG2-CD1 3.94Å; I888-V915 HydrophobicContact CD1-CG1 4.34Å; I888-V915 HydrophobicContact CD1-CG2 4.01Å; I888-F917 HydrophobicContact CD1-CB 4.34Å; I888-F917 HydrophobicContact CD1-CD1 3.54Å; I888-F917 HydrophobicContact CD1-CE1 4.02Å; I888-F917 HydrophobicContact CD1-CG 4.03Å
889	D	81.3	Confident	71	Confident	96 Å²	96	99.2 Å²	99.2	51%	0.513	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.1	177.6	-162.9	-2.1	0	0	0	110.2	N903	D889-N903 PolarHBondContact N-O 3.08Å; D889-N903 WeakPolarHBondContact O-CB 3.24Å; D889-N903 PolarHBondContact O-N 3.21Å
890	C	82.9	Confident	71	Confident	42 Å²	42	96.5 Å²	96.5	28%	0.284	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.6	-175.3	-60.3	0	0	0	0	111	C902	C890-C902 HydrophobicContact CB-CB 4.1Å; C890-C902 WeakPolarHBondContact CB-SG 3.48Å; C890-C902 WeakPolarHBondContact SG-CB 3.37Å; C890-C902 CovalentContact SG-SG 2.04Å; C890-C902 PolarHBondContact SG-SG 2.65Å
891	S	74.2	Confident	71	Confident	53 Å²	53	95.1 Å²	95.1	37%	0.371	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	157.1	175.9	71.2	0	0	0	0	110.9	I901	S891-I901 PolarHBondContact N-O 2.76Å; S891-I901 PolarHBondContact O-N 3.41Å
892	T	64.1	Low	71.4	Confident	83 Å²	83	90.2 Å²	90.2	51%	0.509	45%	0.445	S	S	.	.			trans	-107.4	118.9	172.3	-54	0	0	0	0	107.6	E894 K900	T892-E894 PolarHBondContact O-N 3.33Å; T892-K900 WeakPolarHBondContact OG1-CE 3.48Å; T892-K900 PolarHBondContact OG1-NZ 2.94Å
893	E	58.5	Low	72.3	Confident	97 Å²	97	87.6 Å²	87.6	45%	0.453	43%	0.431	S	S	.	.			trans	-69.1	130.1	166.6	-78.1	-161.5	147.7	0	0	109.9	K895 K896 I901	E893-K895 PolarHBondContact O-N 2.86Å; E893-K896 PolarHBondContact O-N 3.03Å; E893-I901 HydrophobicContact CG-CD1 4.05Å
894	E	51.5	Low	73.7	Confident	205 Å²	205	80.6 Å²	80.6	96%	0.958	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-17	-176.4	-67.3	-174.8	160.2	0	0	113.5	T892	T892-E894 PolarHBondContact O-N 3.33Å
895	K	54.9	Low	74.3	Confident	192 Å²	192	79.8 Å²	79.8	84%	0.835	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-15.7	-174.8	-68.7	-179.3	-180	173.6	0	115.1	E893	E893-K895 PolarHBondContact O-N 2.86Å
896	K	58.6	Low	74.1	Confident	100 Å²	100	74 Å²	74	44%	0.435	37%	0.366	S	S	.	.			trans	-134.9	106.5	-174.5	-61.7	-174.6	-172.8	168.4	0	112.8	E893 N898 E899	E893-K896 PolarHBondContact O-N 3.03Å; K896-N898 VanDerWaalsContact C-N 3.35Å; K896-N898 PolarHBondContact O-N 2.81Å; K896-E899 HydrophobicContact CB-CB 3.98Å; K896-E899 HydrophobicContact CD-CB 4.39Å; K896-E899 WeakPolarHBondContact CD-OE2 3.42Å; K896-E899 WeakPolarHBondContact CE-OE2 3.49Å; K896-E899 IonicContact NZ-OE1 2.73Å; K896-E899 PolarHBondContact NZ-OE1 3.37Å; K896-E899 IonicContact NZ-OE2 2.67Å; K896-E899 PolarHBondContact NZ-OE2 2.95Å
897	R	68	Low	73.4	Confident	232 Å²	232	74.9 Å²	74.9	88%	0.875	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.8	-172.5	-81.1	-175.1	174.6	-175.7	-0.5	115.8	Y869	Y869-R897 PolarHBondContact OH-O 3.37Å
898	N	84.2	Confident	73.1	Confident	51 Å²	51	71.6 Å²	71.6	27%	0.273	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	24.1	-174.7	-46.2	-14.7	0	0	0	113.4	Y869 P871 K896	Y869-N898 WeakPolarHBondContact CD1-O 3.46Å; Y869-N898 HydrophobicContact CD2-CB 3.98Å; Y869-N898 WeakPolarHBondContact CE1-O 3.26Å; Y869-N898 HydrophobicContact CE2-CB 3.83Å; Y869-N898 PolarHBondContact N-O 2.93Å; Y869-N898 WeakPolarHBondContact O-CB 3.42Å; P871-N898 WeakPolarHBondContact CA-ND2 3.48Å; P871-N898 WeakPolarHBondContact CB-ND2 3.48Å; P871-N898 VanDerWaalsContact CD-ND2 3.27Å; P871-N898 WeakPolarHBondContact CD-ND2 3.39Å; P871-N898 WeakPolarHBondContact CG-ND2 3.13Å; K896-N898 VanDerWaalsContact C-N 3.35Å; K896-N898 PolarHBondContact O-N 2.81Å
899	E	86.1	Confident	73	Confident	24 Å²	24	70.3 Å²	70.3	11%	0.112	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138	176.9	-162.9	168.9	147.8	0	0	107.6	N866 I867 K896	N866-E899 PolarHBondContact ND2-OE1 3.08Å; N866-E899 WeakPolarHBondContact OD1-CG 3.1Å; N866-E899 PolarHBondContact OD1-OE1 3.31Å; I867-E899 CarbonylContact O-C 3.54Å; I867-E899 WeakPolarHBondContact O-CA 3.35Å; K896-E899 HydrophobicContact CB-CB 3.98Å; K896-E899 HydrophobicContact CD-CB 4.39Å; K896-E899 WeakPolarHBondContact CD-OE2 3.42Å; K896-E899 WeakPolarHBondContact CE-OE2 3.49Å; K896-E899 IonicContact NZ-OE1 2.73Å; K896-E899 PolarHBondContact NZ-OE1 3.37Å; K896-E899 IonicContact NZ-OE2 2.67Å; K896-E899 PolarHBondContact NZ-OE2 2.95Å
900	K	86.8	Confident	72.9	Confident	24 Å²	24	73.2 Å²	73.2	10%	0.104	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.7	172.8	-80.8	-72.2	174.1	-83.4	0	108.6	I867 Y869 F875 T892	I867-K900 HydrophobicContact CB-CB 4.17Å; I867-K900 WeakPolarHBondContact CB-O 3.25Å; I867-K900 PolarHBondContact N-O 3.48Å; I867-K900 PolarHBondContact O-N 3.34Å; Y869-K900 HydrophobicContact CE1-CG 4.1Å; F875-K900 HydrophobicContact CB-CG 4.2Å; F875-K900 HydrophobicContact CD1-CG 4.25Å; F875-K900 HydrophobicContact CD2-CG 4.33Å; F875-K900 HydrophobicContact CG-CG 4.03Å; T892-K900 WeakPolarHBondContact OG1-CE 3.48Å; T892-K900 PolarHBondContact OG1-NZ 2.94Å
901	I	87.1	Confident	72.8	Confident	25 Å²	25	73.3 Å²	73.3	13%	0.128	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.5	179.8	-62	179.3	0	0	0	106.8	L864 S891 E893	L864-I901 HydrophobicContact CB-CG2 4.37Å; L864-I901 HydrophobicContact CD1-CG2 3.99Å; L864-I901 HydrophobicContact CD2-CG2 3.44Å; L864-I901 VanDerWaalsContact CD2-CG2 3.44Å; L864-I901 HydrophobicContact CG-CG2 4.13Å; S891-I901 PolarHBondContact N-O 2.76Å; S891-I901 PolarHBondContact O-N 3.41Å; E893-I901 HydrophobicContact CG-CD1 4.05Å
902	C	87.8	Confident	73.2	Confident	1 Å²	1	79.5 Å²	79.5	1%	0.007	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115	-179.3	-65.9	0	0	0	0	110.3	L864 V865 I888 C890	L864-C902 CarbonylContact C-O 3.31Å; L864-C902 WeakPolarHBondContact CA-O 3.45Å; V865-C902 HydrophobicContact CB-CB 4.49Å; V865-C902 PolarHBondContact N-O 3.08Å; V865-C902 PolarHBondContact O-N 3.26Å; I888-C902 HydrophobicContact CG2-CB 4.12Å; C890-C902 HydrophobicContact CB-CB 4.1Å; C890-C902 WeakPolarHBondContact CB-SG 3.48Å; C890-C902 WeakPolarHBondContact SG-CB 3.37Å; C890-C902 CovalentContact SG-SG 2.04Å; C890-C902 PolarHBondContact SG-SG 2.65Å
903	N	84.6	Confident	74.3	Confident	44 Å²	44	76.7 Å²	76.7	24%	0.235	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.2	171.1	-72.6	-58.7	0	0	0	109.7	L864 I888 D889 A906	L864-N903 HydrophobicContact CD2-CB 4.4Å; L864-N903 WeakPolarHBondContact CD2-OD1 3.33Å; I888-N903 WeakPolarHBondContact CA-O 3.05Å; D889-N903 PolarHBondContact N-O 3.08Å; D889-N903 WeakPolarHBondContact O-CB 3.24Å; D889-N903 PolarHBondContact O-N 3.21Å; N903-A906 HydrophobicContact CB-CB 4.37Å
904	I	85.4	Confident	75.7	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	106.1	176.2	-48.7	-60.6	0	0	0	108.3	L853 A863 V865 I886 I888 M909	L853-I904 HydrophobicContact CD2-CB 4.42Å; L853-I904 HydrophobicContact CD2-CD1 4.21Å; L853-I904 HydrophobicContact CD2-CG1 3.77Å; L853-I904 HydrophobicContact CD2-CG2 4.1Å; A863-I904 HydrophobicContact CB-CB 4.25Å; A863-I904 PolarHBondContact O-N 2.78Å; V865-I904 HydrophobicContact CG2-CD1 3.98Å; V865-I904 HydrophobicContact CG2-CG1 3.9Å; I886-I904 HydrophobicContact CG2-CG2 3.96Å; I888-I904 HydrophobicContact CB-CD1 4.39Å; I888-I904 HydrophobicContact CD1-CD1 3.89Å; I888-I904 HydrophobicContact CG1-CD1 3.77Å; I888-I904 HydrophobicContact CG2-CD1 3.94Å; I904-M909 HydrophobicContact CG2-CG 4.36Å; I904-M909 HydrophobicContact CG2-SD 3.73Å
905	S	69.2	Low	77.5	Confident	26 Å²	26	67 Å²	67	18%	0.182	32%	0.318	C	S	.	.	S	Bend	trans	54.7	53.5	178.5	-57.3	0	0	0	0	114.4	I886 K887 F908	I886-S905 WeakPolarHBondContact CA-OG 3.17Å; I886-S905 VanDerWaalsContact CG2-OG 3.3Å; I886-S905 WeakPolarHBondContact CG2-OG 3.5Å; K887-S905 PolarHBondContact N-OG 2.93Å; K887-S905 WeakPolarHBondContact O-CA 3.38Å; K887-S905 PolarHBondContact O-N 2.87Å; S905-F908 CarbonylContact O-C 3.6Å; S905-F908 PolarHBondContact O-N 2.9Å
906	A	60.3	Low	79.2	Confident	59 Å²	59	59.4 Å²	59.4	49%	0.488	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	134	178.2	0	0	0	0	0	112.5	N903	N903-A906 HydrophobicContact CB-CB 4.37Å
907	P	56.3	Low	80.8	Confident	42 Å²	42	54.7 Å²	54.7	27%	0.273	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.8	-4.7	7.8	31.9	-30.1	0	0	0	116.2	Y861 N862	Y861-P907 HydrophobicContact CE2-CB 4.11Å; N862-P907 PolarHBondContact N-O 2.88Å
908	F	69.9	Low	82	Confident	79 Å²	79	47.9 Å²	47.9	35%	0.346	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	144.2	176.8	62.8	-90.6	0	0	0	114.1	N859 A860 Y861 S905 R910	N859-F908 HydrophobicContact CB-CD2 4.03Å; A860-F908 CarbonylContact O-C 3.49Å; A860-F908 WeakPolarHBondContact O-CA 3.01Å; A860-F908 WeakPolarHBondContact O-CB 3.19Å; Y861-F908 HydrophobicContact CD2-CB 4.38Å; S905-F908 CarbonylContact O-C 3.6Å; S905-F908 PolarHBondContact O-N 2.9Å; F908-R910 HydrophobicContact CD2-CG 4.37Å; F908-R910 HydrophobicContact CE2-CG 3.95Å
909	M	81.7	Confident	82.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.9	169.2	-178.2	173.7	177.5	0	0	109.6	L799 L853 N855 A860 A863 I904 S913	L799-M909 HydrophobicContact CD2-SD 4.12Å; L853-M909 HydrophobicContact CD2-SD 4.15Å; L853-M909 HydrophobicContact CG-CE 4.39Å; N855-M909 HydrophobicContact CB-CE 3.71Å; N855-M909 HydrophobicContact CB-CG 4.1Å; N855-M909 HydrophobicContact CB-SD 3.97Å; N855-M909 PolarHBondContact ND2-O 2.6Å; A860-M909 HydrophobicContact CB-CB 4.32Å; A860-M909 PolarHBondContact N-O 2.82Å; A860-M909 PolarHBondContact O-N 2.78Å; A863-M909 HydrophobicContact CB-CB 3.6Å; I904-M909 HydrophobicContact CG2-CG 4.36Å; I904-M909 HydrophobicContact CG2-SD 3.73Å; M909-S913 VanDerWaalsContact CE-O 3.25Å; M909-S913 WeakPolarHBondContact CE-O 2.93Å; M909-S913 VanDerWaalsContact CE-OG 3.27Å; M909-S913 WeakPolarHBondContact CE-OG 3.13Å; M909-S913 VanDerWaalsContact CG-OG 3.26Å; M909-S913 WeakPolarHBondContact CG-OG 3.38Å
910	R	78.8	Confident	82.8	Confident	157 Å²	157	46 Å²	46	59%	0.592	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-60.2	147.4	-177.7	-68.3	-178.3	-176.8	161.3	3.4	111.8	N855 E885 F908 S913	N855-R910 PolarHBondContact ND2-O 3.08Å; E885-R910 IonicContact OE2-NH1 3.85Å; F908-R910 HydrophobicContact CD2-CG 4.37Å; F908-R910 HydrophobicContact CE2-CG 3.95Å; R910-S913 WeakPolarHBondContact O-CB 3.46Å; R910-S913 PolarHBondContact O-N 2.98Å; R910-S913 PolarHBondContact O-OG 2.86Å
911	A	81.3	Confident	83.1	Confident	44 Å²	44	44.8 Å²	44.8	36%	0.364	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	137.6	168.7	0	0	0	0	0	112	G857 N859 S913	G857-A911 VanDerWaalsContact O-CA 3.31Å; G857-A911 WeakPolarHBondContact O-CA 3.39Å; G857-A911 WeakPolarHBondContact O-CB 3.47Å; N859-A911 PolarHBondContact OD1-N 2.84Å; A911-S913 VanDerWaalsContact C-N 3.31Å; A911-S913 PolarHBondContact O-N 3.2Å
912	K	82.1	Confident	83.3	Confident	184 Å²	184	46.4 Å²	46.4	80%	0.8	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	23.3	176.5	-54.9	-178.3	-178	177.8	0	115.9	N855	N855-K912 CarbonylContact O-C 3.57Å; N855-K912 WeakPolarHBondContact O-CA 3.36Å; N855-K912 PolarHBondContact O-N 2.83Å
913	S	86.8	Confident	83.4	Confident	23 Å²	23	46.5 Å²	46.5	16%	0.161	23%	0.234	C	C	.	.			trans	-95.2	151.8	178.1	64.4	0	0	0	0	112.3	N855 M909 R910 A911	N855-S913 PolarHBondContact N-O 3.33Å; N855-S913 PolarHBondContact O-N 3.21Å; M909-S913 VanDerWaalsContact CE-O 3.25Å; M909-S913 WeakPolarHBondContact CE-O 2.93Å; M909-S913 VanDerWaalsContact CE-OG 3.27Å; M909-S913 WeakPolarHBondContact CE-OG 3.13Å; M909-S913 VanDerWaalsContact CG-OG 3.26Å; M909-S913 WeakPolarHBondContact CG-OG 3.38Å; R910-S913 WeakPolarHBondContact O-CB 3.46Å; R910-S913 PolarHBondContact O-N 2.98Å; R910-S913 PolarHBondContact O-OG 2.86Å; A911-S913 VanDerWaalsContact C-N 3.31Å; A911-S913 PolarHBondContact O-N 3.2Å
914	Q	89	Confident	83.6	Confident	98 Å²	98	44.6 Å²	44.6	46%	0.458	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.1	176.4	66.5	171.4	-2.6	0	0	112	K852 L853 E854 I886	K852-Q914 VanDerWaalsContact NZ-OE1 3.09Å; L853-Q914 CarbonylContact O-C 3.53Å; L853-Q914 VanDerWaalsContact O-CA 3.31Å; L853-Q914 WeakPolarHBondContact O-CA 3.34Å; E854-Q914 HydrophobicContact CB-CB 4.2Å; E854-Q914 HydrophobicContact CG-CB 4.15Å; I886-Q914 WeakPolarHBondContact CD1-O 3.13Å
915	V	89.3	Confident	83.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141.9	178.5	64.2	0	0	0	0	111.8	L853 V880 I886 I888 F917	L853-V915 HydrophobicContact CB-CG1 3.97Å; L853-V915 HydrophobicContact CD2-CG1 4.32Å; L853-V915 PolarHBondContact N-O 3.38Å; L853-V915 PolarHBondContact O-N 2.8Å; V880-V915 HydrophobicContact CG1-CG2 4.08Å; I886-V915 HydrophobicContact CB-CB 4.47Å; I886-V915 HydrophobicContact CB-CG2 4.42Å; I886-V915 HydrophobicContact CD1-CB 3.89Å; I886-V915 HydrophobicContact CG2-CB 4Å; I886-V915 HydrophobicContact CG2-CG1 4.23Å; I886-V915 HydrophobicContact CG2-CG2 4.04Å; I888-V915 HydrophobicContact CD1-CG1 4.34Å; I888-V915 HydrophobicContact CD1-CG2 4.01Å; V915-F917 HydrophobicContact CG1-CD1 4.24Å; V915-F917 HydrophobicContact CG1-CE1 4.27Å; V915-F917 HydrophobicContact CG2-CD1 4.44Å
916	S	91.1	Very high	83.9	Confident	32 Å²	32	51.5 Å²	51.5	22%	0.224	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.9	172.9	-61.6	0	0	0	0	110.9	V851 K881	V851-S916 WeakPolarHBondContact O-CA 3.41Å; K881-S916 PolarHBondContact N-O 3.25Å
917	F	91.3	Very high	84.9	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.009	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.8	-178.7	56.6	-91.4	0	0	0	112.1	V851 L853 L878 I879 I888 V915 L919	V851-F917 HydrophobicContact CB-CD2 4.05Å; V851-F917 HydrophobicContact CB-CE1 4.48Å; V851-F917 HydrophobicContact CB-CE2 3.67Å; V851-F917 HydrophobicContact CB-CZ 3.92Å; V851-F917 HydrophobicContact CG1-CE1 4.22Å; V851-F917 HydrophobicContact CG1-CE2 3.86Å; V851-F917 HydrophobicContact CG1-CZ 3.61Å; V851-F917 HydrophobicContact CG2-CE2 4.08Å; V851-F917 PolarHBondContact N-O 3.35Å; V851-F917 PolarHBondContact O-N 3.36Å; V851-F917 VanDerWaalsContact O-O 3.12Å; L853-F917 HydrophobicContact CB-CE1 4.24Å; L878-F917 HydrophobicContact CD1-CD2 3.64Å; L878-F917 HydrophobicContact CD1-CE2 3.97Å; L878-F917 HydrophobicContact CD1-CG 4.26Å; L878-F917 HydrophobicContact CD2-CB 3.98Å; L878-F917 HydrophobicContact CD2-CD2 4.41Å; L878-F917 HydrophobicContact CD2-CG 4.35Å; L878-F917 HydrophobicContact CG-CB 4.27Å; L878-F917 HydrophobicContact CG-CD2 3.91Å; L878-F917 HydrophobicContact CG-CG 4.35Å; I879-F917 CarbonylContact O-C 3.41Å; I879-F917 WeakPolarHBondContact O-CA 3.27Å; I888-F917 HydrophobicContact CD1-CB 4.34Å; I888-F917 HydrophobicContact CD1-CD1 3.54Å; I888-F917 HydrophobicContact CD1-CE1 4.02Å; I888-F917 HydrophobicContact CD1-CG 4.03Å; V915-F917 HydrophobicContact CG1-CD1 4.24Å; V915-F917 HydrophobicContact CG1-CE1 4.27Å; V915-F917 HydrophobicContact CG2-CD1 4.44Å; F917-L919 HydrophobicContact CD2-CD2 3.7Å; F917-L919 HydrophobicContact CD2-CG 4.25Å; F917-L919 HydrophobicContact CE2-CD2 3.76Å; F917-L919 HydrophobicContact CE2-CG 4.21Å
918	R	92.3	Very high	86	Confident	88 Å²	88	51.3 Å²	51.3	33%	0.332	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.1	-178.7	174	171.2	-73	176.3	-4.2	109.8	V848 D850 L878 I879	V848-R918 VanDerWaalsContact CG1-CD 3.44Å; V848-R918 HydrophobicContact CG1-CG 3.45Å; V848-R918 VanDerWaalsContact CG1-CG 3.45Å; D850-R918 WeakPolarHBondContact OD1-CB 3.37Å; D850-R918 WeakPolarHBondContact OD1-CG 3.46Å; D850-R918 IonicContact OD1-CZ 2.81Å; D850-R918 IonicContact OD1-NE 2.96Å; D850-R918 PolarHBondContact OD1-NE 2.91Å; D850-R918 IonicContact OD1-NH2 3.36Å; D850-R918 PolarHBondContact OD1-NH2 3.38Å; D850-R918 IonicContact OD2-CZ 3.3Å; D850-R918 IonicContact OD2-NE 2.73Å; D850-R918 IonicContact OD2-NH2 3.09Å; D850-R918 PolarHBondContact OD2-NH2 2.64Å; L878-R918 CarbonylContact C-O 3.52Å; L878-R918 VanDerWaalsContact CA-O 3.3Å; L878-R918 WeakPolarHBondContact CA-O 3.14Å; I879-R918 HydrophobicContact CB-CB 4.39Å; I879-R918 PolarHBondContact N-O 2.89Å; I879-R918 PolarHBondContact O-N 2.87Å
919	L	93.5	Very high	86.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.9	173.7	-52.1	-179.1	0	0	0	109.5	V848 V849 V851 I867 F875 L878 F917 F921 L936	V848-L919 WeakPolarHBondContact CA-O 3.22Å; V849-L919 HydrophobicContact CB-CB 4.26Å; V849-L919 PolarHBondContact N-O 2.78Å; V849-L919 PolarHBondContact O-N 3.11Å; V851-L919 HydrophobicContact CG2-CD1 3.87Å; V851-L919 HydrophobicContact CG2-CG 4.07Å; I867-L919 HydrophobicContact CD1-CD1 3.99Å; I867-L919 HydrophobicContact CD1-CD2 3.99Å; I867-L919 HydrophobicContact CG2-CD1 4.35Å; F875-L919 HydrophobicContact CE2-CD2 4Å; F875-L919 HydrophobicContact CZ-CD2 4.46Å; L878-L919 HydrophobicContact CB-CD2 4.11Å; L878-L919 HydrophobicContact CD1-CD2 3.56Å; L878-L919 HydrophobicContact CG-CD2 3.82Å; F917-L919 HydrophobicContact CD2-CD2 3.7Å; F917-L919 HydrophobicContact CD2-CG 4.25Å; F917-L919 HydrophobicContact CE2-CD2 3.76Å; F917-L919 HydrophobicContact CE2-CG 4.21Å; L919-F921 HydrophobicContact CB-CD2 4.32Å; L919-F921 HydrophobicContact CB-CE2 3.58Å; L919-F921 HydrophobicContact CB-CZ 4.15Å; L919-F921 HydrophobicContact CD1-CE2 4.11Å; L919-F921 HydrophobicContact CD1-CZ 4.13Å; L919-L936 HydrophobicContact CD1-CD2 3.74Å
920	E	93.7	Very high	86.8	Confident	35 Å²	35	54.2 Å²	54.2	16%	0.164	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.8	171.6	-63.3	-165.9	174	0	0	110.3	R846 V848 S876 S877	R846-E920 IonicContact CZ-OE2 2.64Å; R846-E920 IonicContact NH1-OE2 3.17Å; R846-E920 PolarHBondContact NH1-OE2 3.21Å; V848-E920 HydrophobicContact CG2-CG 4.47Å; S876-E920 WeakPolarHBondContact CA-O 3.01Å; S876-E920 WeakPolarHBondContact CB-O 3.45Å; S876-E920 PolarHBondContact N-O 3.05Å; S877-E920 PolarHBondContact N-O 3.25Å; S877-E920 PolarHBondContact O-N 2.84Å
921	F	93.1	Very high	87.3	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.2	174.5	-62.3	-88.2	0	0	0	110.1	R846 M847 V849 I867 Y869 L873 R874 F875 L919 V934	R846-F921 CarbonylContact C-O 3.54Å; R846-F921 WeakPolarHBondContact CA-O 3.37Å; R846-F921 WeakPolarHBondContact CB-O 3.48Å; M847-F921 PolarHBondContact N-O 3.16Å; M847-F921 PolarHBondContact O-N 3.29Å; V849-F921 HydrophobicContact CB-CE2 4.41Å; V849-F921 HydrophobicContact CG2-CD2 4.24Å; V849-F921 HydrophobicContact CG2-CE2 4.02Å; I867-F921 HydrophobicContact CG2-CE1 4.37Å; I867-F921 HydrophobicContact CG2-CZ 3.95Å; Y869-F921 AromaticContact CD1-CE1 3.73Å; Y869-F921 HydrophobicContact CD1-CE1 3.73Å; Y869-F921 HydrophobicContact CE1-CE1 4.31Å; Y869-F921 HydrophobicContact CG-CD1 4.36Å; Y869-F921 AromaticContact CG-CE1 3.9Å; Y869-F921 HydrophobicContact CG-CE1 3.9Å; L873-F921 HydrophobicContact CB-CB 4.34Å; L873-F921 HydrophobicContact CB-CD1 4.28Å; L873-F921 HydrophobicContact CD2-CB 4.19Å; R874-F921 CarbonylContact O-C 3.23Å; R874-F921 WeakPolarHBondContact O-CA 3Å; F875-F921 HydrophobicContact CB-CD1 4.36Å; F875-F921 HydrophobicContact CB-CE1 4.28Å; F875-F921 HydrophobicContact CD2-CD1 4.35Å; F875-F921 AromaticContact CD2-CE1 3.73Å; F875-F921 HydrophobicContact CD2-CE1 3.73Å; F875-F921 HydrophobicContact CD2-CZ 4.08Å; F875-F921 HydrophobicContact CG-CE1 4.49Å; L919-F921 HydrophobicContact CB-CD2 4.32Å; L919-F921 HydrophobicContact CB-CE2 3.58Å; L919-F921 HydrophobicContact CB-CZ 4.15Å; L919-F921 HydrophobicContact CD1-CE2 4.11Å; L919-F921 HydrophobicContact CD1-CZ 4.13Å; F921-V934 HydrophobicContact CE2-CG1 4.19Å; F921-V934 HydrophobicContact CE2-CG2 4.48Å; F921-V934 HydrophobicContact CZ-CG1 3.89Å; F921-V934 HydrophobicContact CZ-CG2 4.46Å
922	E	91.8	Very high	87.8	Confident	59 Å²	59	46.9 Å²	46.9	28%	0.276	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.2	170.6	-167.5	-178.8	164.6	0	0	110	K845 R846 L873 R874 Y1006	K845-E922 WeakPolarHBondContact O-CA 3.31Å; K845-E922 WeakPolarHBondContact O-CG 3.41Å; R846-E922 HydrophobicContact CG-CB 4.46Å; R846-E922 HydrophobicContact CG-CG 4.45Å; L873-E922 CarbonylContact C-O 3.45Å; R874-E922 HydrophobicContact CB-CB 4.5Å; R874-E922 PolarHBondContact N-O 2.62Å; R874-E922 PolarHBondContact O-N 3.32Å; E922-Y1006 PolarHBondContact OE1-OH 2.78Å
923	F	90.9	Very high	88.2	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	135.1	175.6	-70.2	-81.4	0	0	0	111.2	L807 V840 K845 M847 L873 Y960 F1007	L807-F923 HydrophobicContact CD2-CZ 4.09Å; V840-F923 HydrophobicContact CG1-CD2 4.22Å; V840-F923 HydrophobicContact CG1-CE1 4.42Å; V840-F923 HydrophobicContact CG1-CE2 3.94Å; V840-F923 HydrophobicContact CG1-CZ 4.05Å; V840-F923 HydrophobicContact CG2-CE1 4.03Å; V840-F923 HydrophobicContact CG2-CZ 3.86Å; K845-F923 PolarHBondContact O-N 2.79Å; M847-F923 HydrophobicContact CB-CE2 4.02Å; M847-F923 HydrophobicContact CB-CZ 4.03Å; L873-F923 HydrophobicContact CD2-CD1 3.54Å; L873-F923 HydrophobicContact CD2-CE1 3.54Å; L873-F923 HydrophobicContact CD2-CG 4.23Å; L873-F923 HydrophobicContact CD2-CZ 4.23Å; F923-Y960 HydrophobicContact CD1-CE1 4.45Å; F923-F1007 HydrophobicContact CB-CE1 3.59Å; F923-F1007 HydrophobicContact CB-CZ 3.79Å; F923-F1007 HydrophobicContact CD2-CZ 4.38Å; F923-F1007 HydrophobicContact CG-CE1 4.32Å; F923-F1007 HydrophobicContact CG-CZ 4.1Å
924	S	86.9	Confident	88.5	Confident	4 Å²	4	42 Å²	42	3%	0.028	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-69.7	134	178.7	-174.9	0	0	0	0	110.9	N872 A926 V927	N872-S924 WeakPolarHBondContact O-CB 3.44Å; N872-S924 PolarHBondContact O-N 3.29Å; S924-A926 VanDerWaalsContact C-N 3.27Å; S924-A926 PolarHBondContact OG-N 2.91Å; S924-V927 PolarHBondContact OG-N 3.36Å
925	R	82.1	Confident	88.7	Confident	123 Å²	123	39 Å²	39	46%	0.464	19%	0.19	S	C	.	.	S	Bend	trans	-81.1	-6.1	172.2	-58	-169.1	-162.8	177.2	7.5	113.6	Y1006 P1008	R925-Y1006 HydrophobicContact CG-CE1 3.97Å; R925-Y1006 PolarHBondContact NE-OH 2.92Å; R925-Y1006 PolarHBondContact NH2-OH 2.91Å; R925-Y1006 VanDerWaalsContact NH2-OH 3.08Å; R925-P1008 WeakPolarHBondContact O-CD 3.24Å; R925-P1008 WeakPolarHBondContact O-CG 3.4Å
926	A	78.7	Confident	88.9	Confident	50 Å²	50	39 Å²	39	41%	0.413	19%	0.189	S	C	.	.	S	Bend	trans	-115.5	-22.7	-171.3	0	0	0	0	0	113.9	S924	S924-A926 VanDerWaalsContact C-N 3.27Å; S924-A926 PolarHBondContact OG-N 2.91Å
927	V	81.9	Confident	89	Confident	54 Å²	54	41.2 Å²	41.2	33%	0.327	20%	0.196	S	C	.	.			trans	-123.6	122.1	-175.4	-175.5	0	0	0	0	109.3	P871 N872 S924 L929	P871-V927 HydrophobicContact CB-CB 4.49Å; P871-V927 HydrophobicContact CB-CG1 3.93Å; N872-V927 WeakPolarHBondContact CA-O 3.28Å; N872-V927 WeakPolarHBondContact CB-O 3.24Å; S924-V927 PolarHBondContact OG-N 3.36Å; V927-L929 HydrophobicContact CG1-CG 4.34Å
928	F	79.2	Confident	89	Confident	42 Å²	42	41.2 Å²	41.2	18%	0.184	20%	0.196	C	C	.	.			trans	-117.9	122.6	-179.5	-62.6	-79	0	0	0	108.9	F1007 P1008 P1124 M1125	F928-F1007 HydrophobicContact CE1-CB 3.88Å; F928-F1007 AromaticContact CE1-CD1 3.76Å; F928-F1007 HydrophobicContact CE1-CD1 3.76Å; F928-F1007 HydrophobicContact CE1-CG 4.14Å; F928-F1007 HydrophobicContact CZ-CB 4.24Å; F928-F1007 HydrophobicContact CZ-CD1 4.45Å; F928-P1008 HydrophobicContact CE2-CG 3.91Å; F928-P1008 HydrophobicContact CZ-CG 3.66Å; F928-P1008 WeakPolarHBondContact CZ-O 3.48Å; F928-P1124 HydrophobicContact CB-CG 4.5Å; F928-M1125 HydrophobicContact CD1-CE 3.31Å; F928-M1125 HydrophobicContact CD2-CE 4.18Å; F928-M1125 HydrophobicContact CE1-CE 3.19Å; F928-M1125 HydrophobicContact CE2-CE 4.09Å; F928-M1125 HydrophobicContact CG-CE 3.8Å; F928-M1125 HydrophobicContact CZ-CE 3.59Å
929	L	85.3	Confident	88.7	Confident	44 Å²	44	39.4 Å²	39.4	23%	0.23	20%	0.195	C	C	.	.			trans	-125.4	142	174.8	-64	173.6	0	0	0	108.1	T870 P871 N872 V927 H931 Y960	T870-L929 HydrophobicContact CG2-CD1 4.34Å; P871-L929 HydrophobicContact CG-CD1 4.17Å; N872-L929 HydrophobicContact CB-CB 4.29Å; N872-L929 HydrophobicContact CB-CD1 4.39Å; N872-L929 HydrophobicContact CB-CG 4.33Å; V927-L929 HydrophobicContact CG1-CG 4.34Å; L929-H931 WeakPolarHBondContact CB-O 3.09Å; L929-H931 PolarHBondContact O-N 2.78Å; L929-Y960 WeakPolarHBondContact O-CE2 3.38Å; L929-Y960 PolarHBondContact O-OH 2.86Å
930	D	84.5	Confident	88.3	Confident	96 Å²	96	40.3 Å²	40.3	51%	0.513	20%	0.201	S	C	.	.	S	Bend	trans	-70.6	0.4	174	66.8	-21.5	0	0	0	113.4	S957 L958 P1124	D930-S957 CarbonylContact O-C 3.56Å; D930-S957 VanDerWaalsContact O-CA 3.32Å; D930-S957 WeakPolarHBondContact O-CA 3.32Å; D930-L958 PolarHBondContact O-N 2.8Å; D930-P1124 HydrophobicContact CB-CB 3.95Å
931	H	88.4	Confident	87.3	Confident	47 Å²	47	43.4 Å²	43.4	22%	0.218	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	162.4	174.6	64.6	-79.2	0	0	0	110.3	N872 L929 Y955 Y956	N872-H931 PolarHBondContact ND2-O 2.97Å; L929-H931 WeakPolarHBondContact CB-O 3.09Å; L929-H931 PolarHBondContact O-N 2.78Å; H931-Y955 HydrophobicContact CB-CE2 4.08Å; H931-Y955 AromaticContact CD2-CE2 3.64Å; H931-Y956 CarbonylContact C-O 3.5Å; H931-Y956 WeakPolarHBondContact CA-O 3.45Å; H931-Y956 WeakPolarHBondContact CB-O 3.48Å
932	L	91.1	Very high	86.3	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153	157.2	62.2	87.1	0	0	0	109.7	L807 M847 T870 L873 I954 Y955 Y956 L958	L807-L932 HydrophobicContact CD1-CD2 3.41Å; L807-L932 VanDerWaalsContact CD1-CD2 3.41Å; M847-L932 HydrophobicContact CE-CD1 4.33Å; M847-L932 HydrophobicContact CE-CD2 4.41Å; M847-L932 HydrophobicContact SD-CD2 3.92Å; T870-L932 WeakPolarHBondContact OG1-CA 3.33Å; L873-L932 HydrophobicContact CD1-CB 4.27Å; L932-I954 HydrophobicContact CD1-CG2 4.29Å; L932-Y955 WeakPolarHBondContact O-CA 3.07Å; L932-Y956 HydrophobicContact CD1-CD2 4.16Å; L932-Y956 PolarHBondContact N-O 2.89Å; L932-Y956 PolarHBondContact O-N 3.45Å; L932-L958 HydrophobicContact CB-CD1 3.9Å; L932-L958 HydrophobicContact CB-CG 4.46Å; L932-L958 HydrophobicContact CD2-CD1 3.92Å; L932-L958 HydrophobicContact CD2-CD2 3.56Å; L932-L958 HydrophobicContact CD2-CG 4.13Å; L932-L958 HydrophobicContact CG-CD1 4.14Å; L932-L958 HydrophobicContact CG-CD2 4.1Å; L932-L958 HydrophobicContact CG-CG 4.26Å
933	R	91.8	Very high	85.7	Confident	106 Å²	106	45.4 Å²	45.4	40%	0.4	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.3	166.1	-160.1	175.6	-177.2	-170.6	-1.8	108.3	Y869 T870 D953 I954 Y955	Y869-R933 CarbonylContact C-O 3.48Å; Y869-R933 VanDerWaalsContact CA-O 3.26Å; Y869-R933 WeakPolarHBondContact CA-O 3.49Å; T870-R933 HydrophobicContact CG2-CB 3.69Å; T870-R933 VanDerWaalsContact CG2-N 3.28Å; T870-R933 PolarHBondContact N-O 2.92Å; T870-R933 PolarHBondContact OG1-N 3.09Å; T870-R933 VanDerWaalsContact OG1-N 3.12Å; T870-R933 PolarHBondContact OG1-O 3.43Å; R933-D953 WeakPolarHBondContact CG-OD1 3.37Å; R933-D953 IonicContact CZ-OD1 2.91Å; R933-D953 IonicContact CZ-OD2 3.73Å; R933-D953 VanDerWaalsContact CZ-OD2 3.25Å; R933-D953 VanDerWaalsContact NE-CG 3.32Å; R933-D953 IonicContact NE-OD1 3.91Å; R933-D953 PolarHBondContact NE-OD1 2.86Å; R933-D953 IonicContact NE-OD2 3.71Å; R933-D953 PolarHBondContact NE-OD2 2.9Å; R933-D953 IonicContact NH2-OD1 3.11Å; R933-D953 IonicContact NH2-OD2 3.98Å; R933-D953 PolarHBondContact NH2-OD2 3.01Å; R933-I954 CarbonylContact C-O 3.42Å; R933-I954 WeakPolarHBondContact CA-O 3.41Å; R933-Y955 HydrophobicContact CB-CD2 3.97Å; R933-Y955 HydrophobicContact CG-CD2 3.95Å
934	V	93	Very high	85.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	106.8	163.8	-178.8	0	0	0	0	106.5	I867 T868 L873 F921 L936 I954	I867-V934 HydrophobicContact CG2-CG1 4.46Å; T868-V934 CarbonylContact O-C 3.46Å; T868-V934 WeakPolarHBondContact O-CA 3.32Å; L873-V934 HydrophobicContact CD1-CG2 3.66Å; F921-V934 HydrophobicContact CE2-CG1 4.19Å; F921-V934 HydrophobicContact CE2-CG2 4.48Å; F921-V934 HydrophobicContact CZ-CG1 3.89Å; F921-V934 HydrophobicContact CZ-CG2 4.46Å; V934-L936 HydrophobicContact CG1-CD2 4.2Å; V934-L936 HydrophobicContact CG1-CG 4.48Å; V934-I954 HydrophobicContact CB-CB 4.22Å; V934-I954 HydrophobicContact CB-CD1 4.36Å; V934-I954 PolarHBondContact N-O 3.22Å; V934-I954 WeakPolarHBondContact O-CB 3.47Å; V934-I954 PolarHBondContact O-N 3.13Å
935	L	92.7	Very high	84.8	Confident	35 Å²	35	50.8 Å²	50.8	18%	0.183	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.5	177.7	-177.4	68.3	0	0	0	108.3	T868 V951 D953	T868-L935 PolarHBondContact N-O 2.84Å; T868-L935 PolarHBondContact O-N 2.89Å; L935-V951 HydrophobicContact CD1-CG1 3.5Å; L935-D953 HydrophobicContact CD1-CB 3.77Å
936	L	93.6	Very high	84.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.6	172.9	-53.9	172.2	0	0	0	107.5	L801 V851 N866 I867 L919 V934 V951 N952	L801-L936 HydrophobicContact CD1-CB 3.91Å; V851-L936 HydrophobicContact CB-CD1 4.45Å; V851-L936 HydrophobicContact CG1-CD1 4Å; V851-L936 HydrophobicContact CG2-CD1 3.53Å; N866-L936 CarbonylContact O-C 3.23Å; N866-L936 WeakPolarHBondContact O-CA 2.84Å; I867-L936 HydrophobicContact CB-CD2 4.12Å; I867-L936 HydrophobicContact CD1-CD2 4.47Å; I867-L936 HydrophobicContact CG1-CD2 3.78Å; I867-L936 HydrophobicContact CG2-CD2 3.76Å; L919-L936 HydrophobicContact CD1-CD2 3.74Å; V934-L936 HydrophobicContact CG1-CD2 4.2Å; V934-L936 HydrophobicContact CG1-CG 4.48Å; L936-V951 CarbonylContact O-C 3.41Å; L936-V951 WeakPolarHBondContact O-CA 3.5Å; L936-N952 HydrophobicContact CB-CB 4.26Å; L936-N952 HydrophobicContact CD1-CB 4.49Å; L936-N952 PolarHBondContact N-O 2.97Å; L936-N952 PolarHBondContact O-N 2.76Å
937	E	92.6	Very high	84.9	Confident	78 Å²	78	54 Å²	54	36%	0.364	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	118.3	178.6	-177.7	174.3	-154.9	0	0	109.4	V865 N866 T939 N950 V951	V865-E937 CarbonylContact C-O 3.57Å; V865-E937 WeakPolarHBondContact CA-O 3.47Å; N866-E937 HydrophobicContact CB-CB 4.39Å; N866-E937 PolarHBondContact N-O 2.77Å; N866-E937 PolarHBondContact O-N 3.24Å; E937-T939 HydrophobicContact CG-CG2 3.92Å; E937-N950 CarbonylContact C-O 3.59Å; E937-N950 WeakPolarHBondContact CA-O 3.23Å; E937-V951 HydrophobicContact CG-CG2 4.12Å
938	A	91.4	Very high	84.9	Confident	2 Å²	2	55.3 Å²	55.3	2%	0.017	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.8	174.9	0	0	0	0	0	108.9	L799 L801 L853 L864 N950	L799-A938 HydrophobicContact CB-CB 4.04Å; L799-A938 HydrophobicContact CD1-CB 4.02Å; L801-A938 HydrophobicContact CD1-CB 3.77Å; L801-A938 HydrophobicContact CG-CB 3.94Å; L853-A938 HydrophobicContact CD1-CB 3.86Å; L864-A938 CarbonylContact O-C 3.52Å; L864-A938 WeakPolarHBondContact O-CA 3.37Å; A938-N950 HydrophobicContact CB-CB 4.48Å; A938-N950 PolarHBondContact N-O 2.99Å; A938-N950 WeakPolarHBondContact O-CB 3.33Å
939	T	86.3	Confident	85.3	Confident	50 Å²	50	54.9 Å²	54.9	31%	0.307	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160	-178.5	55.2	0	0	0	0	110.3	A863 L864 E937	A863-T939 CarbonylContact C-O 3.21Å; A863-T939 WeakPolarHBondContact CA-O 3.33Å; L864-T939 PolarHBondContact N-O 3.34Å; L864-T939 PolarHBondContact O-N 3.09Å; E937-T939 HydrophobicContact CG-CG2 3.92Å
940	S	85.4	Confident	85.5	Confident	19 Å²	19	53.1 Å²	53.1	13%	0.133	28%	0.277	C	S	.	.			trans	-150.7	163.2	174.3	61.1	0	0	0	0	108	P797 G942 E944	P797-S940 WeakPolarHBondContact CG-OG 3.3Å; S940-G942 PolarHBondContact O-N 2.04Å; S940-E944 PolarHBondContact OG-OE1 2.82Å
941	D	73.5	Confident	85.7	Confident	101 Å²	101	51.4 Å²	51.4	54%	0.54	27%	0.269	S	S	.	.	S	Bend	trans	-73.7	-1.7	178.2	-71.2	-16.3	0	0	0	112.7	Y861 N862	Y861-D941 PolarHBondContact O-N 2.97Å; N862-D941 WeakPolarHBondContact CB-OD2 3.4Å; N862-D941 PolarHBondContact ND2-OD2 2.82Å
942	G	71.8	Confident	85.9	Confident	13 Å²	13	50.7 Å²	50.7	13%	0.134	27%	0.267	C	S	.	.	S	Bend	trans	-92.1	163.5	179.7	0	0	0	0	0	114.5	C795 S940 E944	C795-G942 CarbonylContact O-C 3.56Å; C795-G942 VanDerWaalsContact O-C 3.26Å; C795-G942 WeakPolarHBondContact O-CA 3.43Å; S940-G942 PolarHBondContact O-N 2.04Å; G942-E944 PolarHBondContact O-N 2.74Å
943	E	78.1	Confident	85.9	Confident	88 Å²	88	54.3 Å²	54.3	41%	0.411	29%	0.287	S	S	.	.			trans	-78.8	96.7	174.8	-173.7	164.7	-159.8	0	0	109.5	R794 C795 M796	R794-E943 IonicContact NH1-OE2 3.57Å; R794-E943 PolarHBondContact NH1-OE2 3.2Å; C795-E943 PolarHBondContact O-N 3.31Å; M796-E943 WeakPolarHBondContact CA-O 3.43Å; M796-E943 HydrophobicContact CE-CG 4.44Å; M796-E943 WeakPolarHBondContact CE-O 3.45Å; M796-E943 HydrophobicContact SD-CB 3.56Å; M796-E943 VanDerWaalsContact SD-CB 3.56Å; M796-E943 HydrophobicContact SD-CG 3.81Å
944	E	79.8	Confident	85.8	Confident	20 Å²	20	49.5 Å²	49.5	9%	0.093	27%	0.269	C	S	.	.			trans	-64.5	138.2	-175.5	-79.1	-74.1	165.5	0	0	114.4	P797 D798 L799 S940 G942 R947	P797-E944 VanDerWaalsContact C-OE2 3.31Å; P797-E944 WeakPolarHBondContact CB-OE1 3.48Å; P797-E944 HydrophobicContact CG-CG 4.29Å; P797-E944 WeakPolarHBondContact CG-OE1 3.14Å; P797-E944 WeakPolarHBondContact O-CA 3.36Å; P797-E944 VanDerWaalsContact O-OE2 3.05Å; D798-E944 WeakPolarHBondContact CA-OE2 3.34Å; D798-E944 PolarHBondContact N-OE2 2.93Å; L799-E944 WeakPolarHBondContact CD1-OE1 3.46Å; L799-E944 VanDerWaalsContact CG-OE1 3.26Å; L799-E944 WeakPolarHBondContact CG-OE1 3.33Å; L799-E944 PolarHBondContact N-OE2 2.9Å; S940-E944 PolarHBondContact OG-OE1 2.82Å; G942-E944 PolarHBondContact O-N 2.74Å; E944-R947 HydrophobicContact CB-CG 4.04Å
945	V	79	Confident	85.7	Confident	98 Å²	98	55.3 Å²	55.3	59%	0.594	29%	0.292	S	S	*	.	S	Bend	trans	-71.2	-45.1	179.6	178.6	0	0	0	0	112.2	M796 P797 D798	M796-V945 HydrophobicContact CE-CG2 4.07Å; P797-V945 PolarHBondContact O-N 2.87Å; D798-V945 HydrophobicContact CB-CB 4.19Å; D798-V945 HydrophobicContact CB-CG2 4.41Å
946	N	82.4	Confident	85.5	Confident	68 Å²	68	55.9 Å²	55.9	36%	0.364	29%	0.292	S	S	.	.			trans	-132.9	110.2	178	-175.9	14	0	0	0	111.2	A948 D949 N950	N946-A948 PolarHBondContact OD1-N 2.81Å; N946-D949 PolarHBondContact ND2-OD1 2.65Å; N946-N950 PolarHBondContact O-ND2 2.96Å; N946-N950 PolarHBondContact O-OD1 3.22Å
947	R	80.9	Confident	85.3	Confident	173 Å²	173	57.9 Å²	57.9	65%	0.653	31%	0.306	S	S	*	.	S	Bend	trans	-85	-12.9	-178.7	-61.8	-175.6	-175.6	-176	0.5	113.7	E944	E944-R947 HydrophobicContact CB-CG 4.04Å
948	A	82.9	Confident	85.1	Confident	81 Å²	81	54.5 Å²	54.5	67%	0.669	29%	0.29	S	S	*	.	S	Bend	trans	-77.7	-31.3	-170.6	0	0	0	0	0	113.1	N946	N946-A948 PolarHBondContact OD1-N 2.81Å
949	D	87.3	Confident	84.9	Confident	33 Å²	33	54.7 Å²	54.7	18%	0.176	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.2	176.6	64.1	-35.5	0	0	0	113.6	S800 L801 R856 N946 V951	S800-D949 VanDerWaalsContact CB-OD2 3.28Å; S800-D949 WeakPolarHBondContact CB-OD2 3.37Å; S800-D949 PolarHBondContact OG-OD2 2.88Å; L801-D949 PolarHBondContact N-O 3.11Å; R856-D949 IonicContact NH1-OD2 3.79Å; R856-D949 PolarHBondContact NH1-OD2 2.57Å; N946-D949 PolarHBondContact ND2-OD1 2.65Å; D949-V951 PolarHBondContact O-N 2.78Å
950	N	88.6	Confident	85	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.8	169.6	-69.5	-5.6	0	0	0	112.9	L799 L801 E937 A938 N946	L799-N950 WeakPolarHBondContact CB-OD1 3.36Å; L799-N950 PolarHBondContact O-OD1 3.39Å; L801-N950 WeakPolarHBondContact CD1-O 3.43Å; E937-N950 CarbonylContact C-O 3.59Å; E937-N950 WeakPolarHBondContact CA-O 3.23Å; A938-N950 HydrophobicContact CB-CB 4.48Å; A938-N950 PolarHBondContact N-O 2.99Å; A938-N950 WeakPolarHBondContact O-CB 3.33Å; N946-N950 PolarHBondContact O-ND2 2.96Å; N946-N950 PolarHBondContact O-OD1 3.22Å
951	V	89.9	Confident	85.1	Confident	60 Å²	60	53.1 Å²	53.1	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132	-172.3	-174.6	0	0	0	0	111.1	L935 L936 E937 D949	L935-V951 HydrophobicContact CD1-CG1 3.5Å; L936-V951 CarbonylContact O-C 3.41Å; L936-V951 WeakPolarHBondContact O-CA 3.5Å; E937-V951 HydrophobicContact CG-CG2 4.12Å; D949-V951 PolarHBondContact O-N 2.78Å
952	N	91.6	Very high	85.8	Confident	33 Å²	33	48.7 Å²	48.7	18%	0.176	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.2	170	-163.7	-70.7	0	0	0	110	L801 S803 L936	L801-N952 HydrophobicContact CB-CB 4.41Å; S803-N952 WeakPolarHBondContact CB-OD1 3.34Å; S803-N952 PolarHBondContact N-ND2 3.17Å; S803-N952 VanDerWaalsContact OG-CG 3.26Å; S803-N952 PolarHBondContact OG-OD1 2.89Å; L936-N952 HydrophobicContact CB-CB 4.26Å; L936-N952 HydrophobicContact CD1-CB 4.49Å; L936-N952 PolarHBondContact N-O 2.97Å; L936-N952 PolarHBondContact O-N 2.76Å
953	D	90.8	Very high	86.5	Confident	75 Å²	75	51.4 Å²	51.4	40%	0.401	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	106.6	-175.5	-170.4	7.5	0	0	0	111.8	R933 L935 Y955	R933-D953 WeakPolarHBondContact CG-OD1 3.37Å; R933-D953 IonicContact CZ-OD1 2.91Å; R933-D953 IonicContact CZ-OD2 3.73Å; R933-D953 VanDerWaalsContact CZ-OD2 3.25Å; R933-D953 VanDerWaalsContact NE-CG 3.32Å; R933-D953 IonicContact NE-OD1 3.91Å; R933-D953 PolarHBondContact NE-OD1 2.86Å; R933-D953 IonicContact NE-OD2 3.71Å; R933-D953 PolarHBondContact NE-OD2 2.9Å; R933-D953 IonicContact NH2-OD1 3.11Å; R933-D953 IonicContact NH2-OD2 3.98Å; R933-D953 PolarHBondContact NH2-OD2 3.01Å; L935-D953 HydrophobicContact CD1-CB 3.77Å; D953-Y955 PolarHBondContact O-N 2.89Å
954	I	90.6	Very high	87	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	93	176.6	-52.5	174.3	0	0	0	108.3	S803 M847 V849 L932 R933 V934 Y956	S803-I954 WeakPolarHBondContact OG-CD1 3.18Å; M847-I954 HydrophobicContact CE-CG2 4.48Å; V849-I954 HydrophobicContact CB-CD1 4.45Å; V849-I954 HydrophobicContact CG1-CD1 3.5Å; V849-I954 VanDerWaalsContact CG1-CD1 3.5Å; V849-I954 HydrophobicContact CG2-CD1 4.03Å; L932-I954 HydrophobicContact CD1-CG2 4.29Å; R933-I954 CarbonylContact C-O 3.42Å; R933-I954 WeakPolarHBondContact CA-O 3.41Å; V934-I954 HydrophobicContact CB-CB 4.22Å; V934-I954 HydrophobicContact CB-CD1 4.36Å; V934-I954 PolarHBondContact N-O 3.22Å; V934-I954 WeakPolarHBondContact O-CB 3.47Å; V934-I954 PolarHBondContact O-N 3.13Å; I954-Y956 HydrophobicContact CG2-CD2 3.89Å; I954-Y956 HydrophobicContact CG2-CE2 3.44Å; I954-Y956 VanDerWaalsContact CG2-CE2 3.44Å
955	Y	90.4	Very high	87.5	Confident	121 Å²	121	51.5 Å²	51.5	48%	0.475	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.5	177.4	-176.1	-95.9	0	0	0	112.1	H931 L932 R933 D953	H931-Y955 HydrophobicContact CB-CE2 4.08Å; H931-Y955 AromaticContact CD2-CE2 3.64Å; L932-Y955 WeakPolarHBondContact O-CA 3.07Å; R933-Y955 HydrophobicContact CB-CD2 3.97Å; R933-Y955 HydrophobicContact CG-CD2 3.95Å; D953-Y955 PolarHBondContact O-N 2.89Å
956	Y	89	Confident	88	Confident	47 Å²	47	47.2 Å²	47.2	18%	0.184	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.2	178	-63.8	-51.7	0	0	0	111.9	N805 S836 R838 H931 L932 I954	N805-Y956 WeakPolarHBondContact ND2-CE2 3.44Å; N805-Y956 PolarHBondContact ND2-OH 2.85Å; S836-Y956 WeakPolarHBondContact O-CA 3.47Å; S836-Y956 WeakPolarHBondContact O-CB 3.44Å; R838-Y956 HydrophobicContact CG-CD1 4.11Å; R838-Y956 HydrophobicContact CG-CD2 3.72Å; R838-Y956 HydrophobicContact CG-CE2 4.43Å; R838-Y956 HydrophobicContact CG-CG 3.55Å; H931-Y956 CarbonylContact C-O 3.5Å; H931-Y956 WeakPolarHBondContact CA-O 3.45Å; H931-Y956 WeakPolarHBondContact CB-O 3.48Å; L932-Y956 HydrophobicContact CD1-CD2 4.16Å; L932-Y956 PolarHBondContact N-O 2.89Å; L932-Y956 PolarHBondContact O-N 3.45Å; I954-Y956 HydrophobicContact CG2-CD2 3.89Å; I954-Y956 HydrophobicContact CG2-CE2 3.44Å; I954-Y956 VanDerWaalsContact CG2-CE2 3.44Å
957	S	88.1	Confident	88.4	Confident	42 Å²	42	46.5 Å²	46.5	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	147.2	165	-58	0	0	0	0	109.9	S836 L837 R838 D930	S836-S957 PolarHBondContact O-N 2.81Å; L837-S957 WeakPolarHBondContact CA-O 3.29Å; R838-S957 PolarHBondContact N-O 2.8Å; D930-S957 CarbonylContact O-C 3.56Å; D930-S957 VanDerWaalsContact O-CA 3.32Å; D930-S957 WeakPolarHBondContact O-CA 3.32Å
958	L	88.4	Confident	88.7	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.8	-175.7	-63.8	175.9	0	0	0	112.6	L807 R838 V840 N872 D930 L932 Y960	L807-L958 HydrophobicContact CD1-CD2 4.48Å; R838-L958 HydrophobicContact CB-CD2 3.97Å; R838-L958 WeakPolarHBondContact O-CA 3.47Å; V840-L958 HydrophobicContact CG2-CD2 4.03Å; N872-L958 VanDerWaalsContact ND2-CD1 3.35Å; N872-L958 WeakPolarHBondContact ND2-CD1 3.38Å; D930-L958 PolarHBondContact O-N 2.8Å; L932-L958 HydrophobicContact CB-CD1 3.9Å; L932-L958 HydrophobicContact CB-CG 4.46Å; L932-L958 HydrophobicContact CD2-CD1 3.92Å; L932-L958 HydrophobicContact CD2-CD2 3.56Å; L932-L958 HydrophobicContact CD2-CG 4.13Å; L932-L958 HydrophobicContact CG-CD1 4.14Å; L932-L958 HydrophobicContact CG-CD2 4.1Å; L932-L958 HydrophobicContact CG-CG 4.26Å; L958-Y960 HydrophobicContact CB-CE2 3.89Å; L958-Y960 HydrophobicContact CD1-CE1 4.5Å; L958-Y960 HydrophobicContact CD1-CE2 4.21Å; L958-Y960 WeakPolarHBondContact CD1-OH 3.43Å
959	G	87	Confident	88.5	Confident	7 Å²	7	42 Å²	42	7%	0.072	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.2	161.2	0	0	0	0	0	110.3	R838 V840 P1124	R838-G959 PolarHBondContact O-N 3.05Å; V840-G959 PolarHBondContact N-O 2.84Å; G959-P1124 WeakPolarHBondContact CA-O 3.33Å
960	Y	88.6	Confident	87.8	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.9	176.6	-55.6	-100.5	0	0	0	110.5	V840 N872 F923 L929 L958 F1007 P1124 M1125 F1126	V840-Y960 HydrophobicContact CB-CD1 3.9Å; V840-Y960 HydrophobicContact CB-CE1 4.36Å; V840-Y960 HydrophobicContact CG1-CD1 4.14Å; V840-Y960 HydrophobicContact CG2-CD1 4.25Å; V840-Y960 HydrophobicContact CG2-CE1 4.25Å; N872-Y960 PolarHBondContact ND2-OH 3.28Å; F923-Y960 HydrophobicContact CD1-CE1 4.45Å; L929-Y960 WeakPolarHBondContact O-CE2 3.38Å; L929-Y960 PolarHBondContact O-OH 2.86Å; L958-Y960 HydrophobicContact CB-CE2 3.89Å; L958-Y960 HydrophobicContact CD1-CE1 4.5Å; L958-Y960 HydrophobicContact CD1-CE2 4.21Å; L958-Y960 WeakPolarHBondContact CD1-OH 3.43Å; Y960-F1007 HydrophobicContact CD1-CD2 4.38Å; Y960-F1007 HydrophobicContact CD1-CE1 4.39Å; Y960-F1007 HydrophobicContact CD1-CE2 4.2Å; Y960-F1007 HydrophobicContact CD1-CZ 4.21Å; Y960-P1124 HydrophobicContact CD2-CB 4.08Å; Y960-P1124 HydrophobicContact CD2-CG 4.38Å; Y960-P1124 HydrophobicContact CE2-CB 4.17Å; Y960-P1124 HydrophobicContact CE2-CG 4.43Å; Y960-P1124 PolarHBondContact N-O 2.7Å; Y960-M1125 CarbonylContact O-C 3.46Å; Y960-M1125 VanDerWaalsContact O-CA 3.25Å; Y960-M1125 WeakPolarHBondContact O-CA 3.35Å; Y960-F1126 VanDerWaalsContact O-CD1 3.24Å; Y960-F1126 WeakPolarHBondContact O-CD1 3.32Å; Y960-F1126 PolarHBondContact O-N 3.04Å
961	E	87.6	Confident	86.6	Confident	34 Å²	34	46.3 Å²	46.3	16%	0.159	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.7	174.7	-178.9	179.8	-142.1	0	0	110.8	V840 E841 G842 F1126	V840-E961 PolarHBondContact O-N 3.25Å; E841-E961 WeakPolarHBondContact CA-OE2 3.36Å; G842-E961 PolarHBondContact N-OE2 3.22Å; E961-F1126 HydrophobicContact CB-CE1 4.3Å; E961-F1126 HydrophobicContact CB-CE2 4.32Å; E961-F1126 HydrophobicContact CB-CZ 3.85Å; E961-F1126 HydrophobicContact CG-CE2 4.36Å; E961-F1126 HydrophobicContact CG-CZ 4.35Å
962	G	88.1	Confident	85.2	Confident	7 Å²	7	44.4 Å²	44.4	7%	0.072	23%	0.226	C	C	.	.			trans	-89.6	96.9	173.1	0	0	0	0	0	111.5	L964 F1126	G962-L964 PolarHBondContact O-N 2.96Å; G962-L964 VanDerWaalsContact O-N 3.15Å; G962-F1126 PolarHBondContact N-O 2.8Å
963	D	87.4	Confident	83.4	Confident	71 Å²	71	50.3 Å²	50.3	38%	0.38	26%	0.258	S	S	.	.			trans	-83.5	87.1	-177.8	-170	14.1	0	0	0	111.4	N1003 L1004 G1005	D963-N1003 PolarHBondContact O-OD1 2.94Å; D963-L1004 HydrophobicContact CB-CB 4.47Å; D963-L1004 PolarHBondContact O-N 2.78Å; D963-L1004 WeakPolarHBondContact OD2-CB 3.46Å; D963-G1005 PolarHBondContact O-N 2.07Å
964	L	88.9	Confident	82.1	Confident	33 Å²	33	49.7 Å²	49.7	17%	0.173	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134	-177	-62.1	-176.3	0	0	0	112.3	G962 Q1002 N1003 V1009 L1012 M1117 L1127	G962-L964 PolarHBondContact O-N 2.96Å; G962-L964 VanDerWaalsContact O-N 3.15Å; L964-Q1002 CarbonylContact C-O 3.51Å; L964-Q1002 WeakPolarHBondContact CA-O 3.44Å; L964-N1003 HydrophobicContact CD2-CB 3.73Å; L964-V1009 HydrophobicContact CD1-CB 4.49Å; L964-V1009 HydrophobicContact CD1-CG1 4.24Å; L964-V1009 HydrophobicContact CD1-CG2 4.32Å; L964-V1009 HydrophobicContact CD2-CB 4.32Å; L964-V1009 HydrophobicContact CD2-CG2 3.79Å; L964-V1009 HydrophobicContact CG-CG2 4.17Å; L964-L1012 HydrophobicContact CD1-CD1 4.21Å; L964-L1012 HydrophobicContact CD1-CD2 3.95Å; L964-M1117 HydrophobicContact CB-CE 4.32Å; L964-M1117 HydrophobicContact CD1-CE 3.62Å; L964-L1127 HydrophobicContact CD1-CD2 3.84Å; L964-L1127 HydrophobicContact CG-CD2 4.22Å
965	L	89.3	Confident	80.5	Confident	77 Å²	77	54.5 Å²	54.5	40%	0.403	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.6	168.6	178.9	66.6	0	0	0	109.8	T967 Q1002 L1004	L965-T967 HydrophobicContact CD1-CG2 4.33Å; L965-T967 HydrophobicContact CG-CG2 4.12Å; L965-Q1002 HydrophobicContact CB-CB 4.27Å; L965-Q1002 PolarHBondContact N-O 2.78Å; L965-Q1002 PolarHBondContact O-N 2.94Å; L965-L1004 HydrophobicContact CB-CD1 4.14Å; L965-L1004 HydrophobicContact CB-CG 4.4Å
966	F	91.1	Very high	79.7	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.035	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.7	179.4	-178.1	-151.9	0	0	0	111.5	F999 I1001 L1014 A1115 M1117 P1132 R1134	F966-F999 HydrophobicContact CE2-CB 4.25Å; F966-F999 HydrophobicContact CE2-CD1 4.13Å; F966-F999 HydrophobicContact CZ-CD1 4.2Å; F966-I1001 HydrophobicContact CD2-CG1 3.92Å; F966-I1001 HydrophobicContact CE2-CG1 4.22Å; F966-L1014 HydrophobicContact CE2-CD1 4.42Å; F966-L1014 HydrophobicContact CZ-CD1 4.16Å; F966-A1115 WeakPolarHBondContact CE1-O 3.32Å; F966-A1115 HydrophobicContact CZ-CB 3.79Å; F966-M1117 HydrophobicContact CB-CE 4.3Å; F966-M1117 HydrophobicContact CB-SD 3.72Å; F966-M1117 HydrophobicContact CD1-CG 4.01Å; F966-M1117 HydrophobicContact CD1-SD 3.59Å; F966-M1117 VanDerWaalsContact CD1-SD 3.59Å; F966-M1117 HydrophobicContact CD2-SD 3.6Å; F966-M1117 VanDerWaalsContact CD2-SD 3.6Å; F966-M1117 HydrophobicContact CE1-CG 3.91Å; F966-M1117 HydrophobicContact CE1-SD 4.02Å; F966-M1117 HydrophobicContact CE2-CG 4.48Å; F966-M1117 HydrophobicContact CE2-SD 4.03Å; F966-M1117 HydrophobicContact CG-CG 4.35Å; F966-M1117 HydrophobicContact CG-SD 3.36Å; F966-M1117 WeakPolarHBondContact CG-SD 3.34Å; F966-M1117 HydrophobicContact CZ-CG 4.16Å; F966-M1117 HydrophobicContact CZ-SD 4.22Å; F966-P1132 HydrophobicContact CD1-CB 4.21Å; F966-P1132 HydrophobicContact CD1-CG 4.46Å; F966-R1134 HydrophobicContact CD1-CB 4.3Å; F966-R1134 HydrophobicContact CD1-CG 3.4Å; F966-R1134 HydrophobicContact CD2-CG 4.2Å; F966-R1134 HydrophobicContact CE1-CB 3.81Å; F966-R1134 HydrophobicContact CE1-CG 3.42Å; F966-R1134 VanDerWaalsContact CE1-CG 3.42Å; F966-R1134 HydrophobicContact CE2-CB 4.47Å; F966-R1134 HydrophobicContact CE2-CG 4.22Å; F966-R1134 HydrophobicContact CG-CG 3.81Å; F966-R1134 HydrophobicContact CZ-CB 3.91Å; F966-R1134 HydrophobicContact CZ-CG 3.85Å; F966-R1134 PolarHBondContact O-NE 3.47Å
967	T	89.9	Confident	79.2	Confident	53 Å²	53	50.9 Å²	50.9	33%	0.325	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.6	-179.5	66.4	0	0	0	0	111.7	L965 Q1000	L965-T967 HydrophobicContact CD1-CG2 4.33Å; L965-T967 HydrophobicContact CG-CG2 4.12Å; T967-Q1000 PolarHBondContact N-O 2.83Å; T967-Q1000 PolarHBondContact O-N 3.41Å
968	S	86.7	Confident	78.6	Confident	42 Å²	42	54.3 Å²	54.3	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.5	175.8	58.2	0	0	0	0	109.6
969	K	80.3	Confident	77.9	Confident	118 Å²	118	54.3 Å²	54.3	51%	0.513	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.9	-179.4	-168.6	-177.3	178.3	-142	0	110.5	D971 T998	K969-D971 WeakPolarHBondContact CD-OD1 3.41Å; K969-D971 WeakPolarHBondContact CE-OD1 3.18Å; K969-D971 IonicContact NZ-OD1 3.46Å; K969-D971 PolarHBondContact NZ-OD1 3.16Å; K969-T998 PolarHBondContact N-O 3.5Å; K969-T998 PolarHBondContact O-N 3.23Å; K969-T998 VanDerWaalsContact O-O 3.07Å
970	R	71.4	Confident	77	Confident	72 Å²	72	59.7 Å²	59.7	27%	0.272	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.1	166.1	179.2	-180	-57.9	161.3	19.2	108.1	T975 I1137	R970-T975 PolarHBondContact NH1-O 2.83Å; R970-I1137 VanDerWaalsContact CZ-O 3.31Å; R970-I1137 PolarHBondContact NH1-O 2.68Å; R970-I1137 PolarHBondContact NH2-O 3.18Å
971	D	64.3	Low	75.5	Confident	57 Å²	57	62.4 Å²	62.4	31%	0.305	32%	0.323	S	S	.	.			trans	-95.4	-9.4	179.8	-71.5	-40.7	0	0	0	113.2	K969 N996 T998 R1091	K969-D971 WeakPolarHBondContact CD-OD1 3.41Å; K969-D971 WeakPolarHBondContact CE-OD1 3.18Å; K969-D971 IonicContact NZ-OD1 3.46Å; K969-D971 PolarHBondContact NZ-OD1 3.16Å; D971-N996 HydrophobicContact CB-CB 4.34Å; D971-N996 PolarHBondContact N-O 2.87Å; D971-T998 PolarHBondContact OD2-OG1 3Å; D971-R1091 IonicContact OD2-NE 2.75Å; D971-R1091 IonicContact OD2-NH2 3.22Å
972	S	59.3	Low	74	Confident	21 Å²	21	68.9 Å²	68.9	15%	0.147	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-89.7	130.1	-177.8	56.7	0	0	0	0	113.8
973	N	55.3	Low	72.2	Confident	156 Å²	156	73.2 Å²	73.2	83%	0.834	38%	0.375	S	S	*	.	S	Bend	trans	-98.9	124.2	161.8	-167.9	20.5	0	0	0	106.3
974	P	61.6	Low	70.2	Confident	62 Å²	62	74.8 Å²	74.8	40%	0.403	39%	0.391	S	S	.	.	P	Polyproline II helix	cis	-91.5	160.5	19.1	34.9	-35.5	0	0	0	116	R976	P974-R976 WeakPolarHBondContact CG-O 3.24Å; P974-R976 PolarHBondContact O-N 3.35Å
975	T	58.8	Low	68.3	Low	107 Å²	107	81.4 Å²	81.4	66%	0.656	43%	0.426	S	S	*	.	S	Bend	trans	-68.1	-17.9	175	46.6	0	0	0	0	113.8	R970	R970-T975 PolarHBondContact NH1-O 2.83Å
976	R	71.7	Confident	66.3	Low	81 Å²	81	83.8 Å²	83.8	31%	0.306	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138.2	-174.7	173.2	174.7	154.1	-160.8	-5.8	110.1	P974 E978 R1141	P974-R976 WeakPolarHBondContact CG-O 3.24Å; P974-R976 PolarHBondContact O-N 3.35Å; R976-E978 HydrophobicContact CG-CG 4.48Å; R976-E978 IonicContact CZ-OE1 3.25Å; R976-E978 IonicContact NE-OE1 3.1Å; R976-E978 PolarHBondContact NE-OE1 2.78Å; R976-E978 IonicContact NH1-OE1 3.76Å; R976-E978 IonicContact NH2-OE1 3.07Å; R976-E978 PolarHBondContact NH2-OE1 2.87Å; R976-R1141 HydrophobicContact CG-CG 4.37Å; R976-R1141 VanDerWaalsContact CZ-NE 3.28Å; R976-R1141 VanDerWaalsContact NH2-CD 3.31Å
977	Y	78.8	Confident	64.3	Low	11 Å²	11	91.3 Å²	91.3	4%	0.043	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.4	176.9	-67.8	-94.8	0	0	0	109.8	P993 P994 L1096 L1138 E1139 I1140 R1141	Y977-P993 HydrophobicContact CD1-CB 4.15Å; Y977-P993 HydrophobicContact CD1-CG 3.47Å; Y977-P993 VanDerWaalsContact CD1-CG 3.47Å; Y977-P993 HydrophobicContact CE1-CB 3.85Å; Y977-P993 HydrophobicContact CE1-CG 3.64Å; Y977-P994 PolarHBondContact OH-O 3.3Å; Y977-L1096 HydrophobicContact CD1-CD1 3.99Å; Y977-L1096 HydrophobicContact CD1-CD2 4.3Å; Y977-L1096 HydrophobicContact CD2-CD1 4.49Å; Y977-L1096 HydrophobicContact CE1-CD1 3.88Å; Y977-L1096 HydrophobicContact CE2-CD1 4.47Å; Y977-L1096 HydrophobicContact CG-CD1 4.27Å; Y977-L1096 HydrophobicContact CG-CD2 4.05Å; Y977-L1138 HydrophobicContact CD2-CD1 3.65Å; Y977-L1138 HydrophobicContact CD2-CG 4.34Å; Y977-L1138 HydrophobicContact CE2-CD1 3.28Å; Y977-L1138 HydrophobicContact CE2-CG 4.37Å; Y977-E1139 PolarHBondContact N-O 3.43Å; Y977-I1140 CarbonylContact O-C 3.56Å; Y977-I1140 WeakPolarHBondContact O-CA 3.35Å; Y977-R1141 PolarHBondContact O-N 3.05Å
978	E	75.6	Confident	62.4	Low	115 Å²	115	95.2 Å²	95.2	54%	0.537	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.5	178.5	-63.9	-171.2	154	0	0	110.3	R976 R1141	R976-E978 HydrophobicContact CG-CG 4.48Å; R976-E978 IonicContact CZ-OE1 3.25Å; R976-E978 IonicContact NE-OE1 3.1Å; R976-E978 PolarHBondContact NE-OE1 2.78Å; R976-E978 IonicContact NH1-OE1 3.76Å; R976-E978 IonicContact NH2-OE1 3.07Å; R976-E978 PolarHBondContact NH2-OE1 2.87Å; E978-R1141 WeakPolarHBondContact CA-O 3.31Å
979	I	73.4	Confident	60.8	Low	7 Å²	7	95.5 Å²	95.5	4%	0.036	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111.1	178.2	-55.7	176.7	0	0	0	107.9	I1098 L1101 H1102 F1106 I1140 R1141 E1143	I979-I1098 HydrophobicContact CG1-CD1 4.3Å; I979-L1101 HydrophobicContact CD1-CB 3.54Å; I979-L1101 HydrophobicContact CD1-CD1 4.01Å; I979-L1101 HydrophobicContact CD1-CG 4.28Å; I979-H1102 VanDerWaalsContact CG2-CE1 3.46Å; I979-H1102 WeakPolarHBondContact CG2-CE1 3.42Å; I979-H1102 WeakPolarHBondContact CG2-NE2 3.27Å; I979-F1106 HydrophobicContact CD1-CZ 4.04Å; I979-I1140 HydrophobicContact CD1-CG2 3.62Å; I979-I1140 HydrophobicContact CG1-CG2 4.07Å; I979-R1141 PolarHBondContact N-O 2.76Å; I979-E1143 PolarHBondContact O-N 2.9Å
980	K	68.9	Low	59.7	Low	119 Å²	119	92.6 Å²	92.6	52%	0.517	50%	0.498	S	S	.	.			trans	-81	144	176.8	-65.9	-173.9	178	-175	0	111	E982 H1102	K980-E982 VanDerWaalsContact C-N 3.32Å; K980-E982 PolarHBondContact O-N 2.85Å; K980-H1102 PolarHBondContact O-CE1 3.38Å; K980-H1102 VanDerWaalsContact O-CE1 3.3Å
981	P	57.9	Low	59.3	Low	59 Å²	59	93.1 Å²	93.1	38%	0.383	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15	-178.3	25.5	-32	0	0	0	115.3	L983	P981-L983 PolarHBondContact O-N 3.26Å
982	E	55.6	Low	59.6	Low	171 Å²	171	91.1 Å²	91.1	80%	0.799	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	2.6	-167.1	-76.5	166	155.9	0	0	116.6	K980 S984	K980-E982 VanDerWaalsContact C-N 3.32Å; K980-E982 PolarHBondContact O-N 2.85Å; E982-S984 VanDerWaalsContact C-N 3.3Å; E982-S984 PolarHBondContact O-N 2.99Å
983	L	49.2	Very low	60.5	Low	98 Å²	98	93 Å²	93	51%	0.513	51%	0.51	S	S	.	.			trans	-91.8	30.8	179.7	-87.7	141.9	0	0	0	113.9	P981 L985	P981-L983 PolarHBondContact O-N 3.26Å; L983-L985 PolarHBondContact O-N 2.82Å
984	S	46.3	Very low	61.8	Low	103 Å²	103	89.8 Å²	89.8	72%	0.72	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	21.1	-173.7	47.7	0	0	0	0	115.7	E982	E982-S984 VanDerWaalsContact C-N 3.3Å; E982-S984 PolarHBondContact O-N 2.99Å
985	L	48	Very low	62.9	Low	172 Å²	172	86.8 Å²	86.8	90%	0.901	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.2	40.4	-178.8	-80.3	169.4	0	0	0	113.9	L983	L983-L985 PolarHBondContact O-N 2.82Å
986	E	48.6	Very low	64.2	Low	128 Å²	128	83.7 Å²	83.7	60%	0.598	46%	0.458	S	S	*	.	S	Bend	trans	-121.4	145.3	166.5	-65.9	-174.6	166.6	0	0	111.5	V990	E986-V990 HydrophobicContact CB-CG2 3.85Å
987	E	49.5	Very low	64.9	Low	166 Å²	166	79.9 Å²	79.9	78%	0.776	44%	0.443	S	S	*	.			trans	-53	151.5	-167.7	-66.2	177.7	156.9	0	0	114.7	G989 V990	E987-G989 PolarHBondContact O-N 2.73Å; E987-V990 WeakPolarHBondContact O-CG2 2.96Å
988	P	48.6	Very low	65.4	Low	135 Å²	135	80.1 Å²	80.1	88%	0.877	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	114.7	171.8	22.8	-31.3	0	0	0	110.8
989	G	54	Low	66.1	Low	48 Å²	48	74.6 Å²	74.6	50%	0.495	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	131.3	-2.2	-179.3	0	0	0	0	0	115.9	E987 I991	E987-G989 PolarHBondContact O-N 2.73Å; G989-I991 PolarHBondContact O-N 2.69Å
990	V	57.9	Low	66.9	Low	57 Å²	57	77.3 Å²	77.3	35%	0.345	43%	0.433	S	S	.	.			trans	-65.3	121.8	-179.3	179.1	0	0	0	0	112.2	E986 E987	E986-V990 HydrophobicContact CB-CG2 3.85Å; E987-V990 WeakPolarHBondContact O-CG2 2.96Å
991	I	63	Low	67.9	Low	82 Å²	82	71.7 Å²	71.7	42%	0.421	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.1	175.9	-65.7	174.9	0	0	0	108.7	G989 F1032 A1095	G989-I991 PolarHBondContact O-N 2.69Å; I991-F1032 HydrophobicContact CD1-CE1 4.09Å; I991-F1032 HydrophobicContact CD1-CZ 4.15Å; I991-F1032 HydrophobicContact CG2-CE2 4.44Å; I991-F1032 HydrophobicContact CG2-CZ 3.61Å; I991-A1095 HydrophobicContact CG2-CB 3.4Å
992	G	70.6	Confident	69.5	Low	16 Å²	16	72.4 Å²	72.4	17%	0.165	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-169.2	179.8	0	0	0	0	0	115.2	A1095 L1096	G992-A1095 WeakPolarHBondContact O-CB 3.38Å; G992-L1096 WeakPolarHBondContact CA-O 3.46Å; G992-L1096 PolarHBondContact N-O 3Å
993	P	76.8	Confident	71.2	Confident	59 Å²	59	64.3 Å²	64.3	38%	0.383	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	143.6	-177.3	28.4	-35.9	0	0	0	111.8	Y977 L1096	Y977-P993 HydrophobicContact CD1-CB 4.15Å; Y977-P993 HydrophobicContact CD1-CG 3.47Å; Y977-P993 VanDerWaalsContact CD1-CG 3.47Å; Y977-P993 HydrophobicContact CE1-CB 3.85Å; Y977-P993 HydrophobicContact CE1-CG 3.64Å; P993-L1096 WeakPolarHBondContact O-CD1 3.35Å; P993-L1096 PolarHBondContact O-N 2.9Å
994	P	82.5	Confident	73.1	Confident	89 Å²	89	63.1 Å²	63.1	58%	0.578	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	155.1	-176.4	30.1	-35	0	0	0	112.6	Y977 G1094	Y977-P994 PolarHBondContact OH-O 3.3Å; P994-G1094 CarbonylContact C-O 3.6Å; P994-G1094 WeakPolarHBondContact CA-O 3.33Å
995	F	84.6	Confident	74.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.8	170.8	69.5	-93	0	0	0	110.9	F997 L1029 I1031 G1094 L1096	F995-F997 HydrophobicContact CB-CE1 4.4Å; F995-F997 AromaticContact CD2-CD1 3.98Å; F995-F997 HydrophobicContact CD2-CD1 3.98Å; F995-F997 AromaticContact CD2-CD2 3.87Å; F995-F997 HydrophobicContact CD2-CD2 3.87Å; F995-F997 AromaticContact CD2-CE1 3.62Å; F995-F997 HydrophobicContact CD2-CE1 3.62Å; F995-F997 AromaticContact CD2-CE2 3.5Å; F995-F997 HydrophobicContact CD2-CE2 3.5Å; F995-F997 HydrophobicContact CD2-CG 4.1Å; F995-F997 AromaticContact CD2-CZ 3.36Å; F995-F997 HydrophobicContact CD2-CZ 3.36Å; F995-F997 AromaticContact CE2-CD2 3.69Å; F995-F997 HydrophobicContact CE2-CD2 3.69Å; F995-F997 HydrophobicContact CE2-CE1 4.31Å; F995-F997 AromaticContact CE2-CE2 3.31Å; F995-F997 HydrophobicContact CE2-CE2 3.31Å; F995-F997 HydrophobicContact CE2-CG 4.33Å; F995-F997 AromaticContact CE2-CZ 3.66Å; F995-F997 HydrophobicContact CE2-CZ 3.66Å; F995-F997 HydrophobicContact CG-CE1 4.32Å; F995-F997 HydrophobicContact CG-CZ 4.14Å; F995-F997 HydrophobicContact CZ-CE2 4.29Å; F995-L1029 HydrophobicContact CD1-CD2 4.37Å; F995-L1029 HydrophobicContact CE1-CB 4.22Å; F995-L1029 HydrophobicContact CE1-CD1 4.44Å; F995-L1029 HydrophobicContact CE1-CD2 3.71Å; F995-L1029 HydrophobicContact CE1-CG 4.34Å; F995-L1029 HydrophobicContact CZ-CB 4.25Å; F995-L1029 HydrophobicContact CZ-CD1 4.1Å; F995-L1029 HydrophobicContact CZ-CD2 4.21Å; F995-L1029 HydrophobicContact CZ-CG 4.43Å; F995-I1031 HydrophobicContact CE2-CD1 4.19Å; F995-I1031 HydrophobicContact CZ-CD1 3.59Å; F995-G1094 WeakPolarHBondContact CD1-O 3.18Å; F995-G1094 VanDerWaalsContact CE1-C 3.45Å; F995-G1094 PolarHBondContact N-O 2.96Å; F995-G1094 PolarHBondContact O-N 2.68Å; F995-G1094 VanDerWaalsContact O-N 3.09Å; F995-L1096 HydrophobicContact CD1-CD1 3.98Å
996	N	86.4	Confident	76.7	Confident	42 Å²	42	50.3 Å²	50.3	23%	0.225	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.9	179.4	-65	-22.6	0	0	0	110.2	D971 I1092 T1093	D971-N996 HydrophobicContact CB-CB 4.34Å; D971-N996 PolarHBondContact N-O 2.87Å; N996-I1092 WeakPolarHBondContact CA-O 3.4Å; N996-T1093 WeakPolarHBondContact OD1-CG2 3.19Å
997	F	87.7	Confident	78.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.7	175.9	-59.7	-25.8	0	0	0	110.4	F995 R1091 I1092 T1113 I1136 L1138	F995-F997 HydrophobicContact CB-CE1 4.4Å; F995-F997 AromaticContact CD2-CD1 3.98Å; F995-F997 HydrophobicContact CD2-CD1 3.98Å; F995-F997 AromaticContact CD2-CD2 3.87Å; F995-F997 HydrophobicContact CD2-CD2 3.87Å; F995-F997 AromaticContact CD2-CE1 3.62Å; F995-F997 HydrophobicContact CD2-CE1 3.62Å; F995-F997 AromaticContact CD2-CE2 3.5Å; F995-F997 HydrophobicContact CD2-CE2 3.5Å; F995-F997 HydrophobicContact CD2-CG 4.1Å; F995-F997 AromaticContact CD2-CZ 3.36Å; F995-F997 HydrophobicContact CD2-CZ 3.36Å; F995-F997 AromaticContact CE2-CD2 3.69Å; F995-F997 HydrophobicContact CE2-CD2 3.69Å; F995-F997 HydrophobicContact CE2-CE1 4.31Å; F995-F997 AromaticContact CE2-CE2 3.31Å; F995-F997 HydrophobicContact CE2-CE2 3.31Å; F995-F997 HydrophobicContact CE2-CG 4.33Å; F995-F997 AromaticContact CE2-CZ 3.66Å; F995-F997 HydrophobicContact CE2-CZ 3.66Å; F995-F997 HydrophobicContact CG-CE1 4.32Å; F995-F997 HydrophobicContact CG-CZ 4.14Å; F995-F997 HydrophobicContact CZ-CE2 4.29Å; F997-R1091 CarbonylContact O-C 3.59Å; F997-R1091 VanDerWaalsContact O-CA 3.3Å; F997-R1091 WeakPolarHBondContact O-CA 3.48Å; F997-I1092 HydrophobicContact CB-CB 4.34Å; F997-I1092 PolarHBondContact N-O 3.43Å; F997-I1092 PolarHBondContact O-N 2.75Å; F997-T1113 HydrophobicContact CD2-CG2 4.41Å; F997-T1113 WeakPolarHBondContact CE2-OG1 3.18Å; F997-I1136 HydrophobicContact CB-CD1 3.79Å; F997-I1136 HydrophobicContact CD1-CD1 4.38Å; F997-I1136 HydrophobicContact CD1-CG2 3.68Å; F997-I1136 HydrophobicContact CE1-CG2 3.75Å; F997-I1136 HydrophobicContact CG-CD1 4.14Å; F997-I1136 HydrophobicContact CG-CG2 4.23Å; F997-I1136 HydrophobicContact CZ-CG2 4.32Å; F997-L1138 HydrophobicContact CE1-CD1 4.42Å; F997-L1138 HydrophobicContact CZ-CB 4.22Å; F997-L1138 HydrophobicContact CZ-CD1 4.43Å; F997-L1138 HydrophobicContact CZ-CD2 4.27Å
998	T	88.3	Confident	80.5	Confident	16 Å²	16	37.3 Å²	37.3	10%	0.098	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.5	-179.8	-54.7	0	0	0	0	109.4	K969 D971 V1090	K969-T998 PolarHBondContact N-O 3.5Å; K969-T998 PolarHBondContact O-N 3.23Å; K969-T998 VanDerWaalsContact O-O 3.07Å; D971-T998 PolarHBondContact OD2-OG1 3Å; T998-V1090 WeakPolarHBondContact CA-O 2.93Å
999	F	90.4	Very high	82.3	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.8	170.7	-68.9	-78.5	0	0	0	108.6	F966 I1016 G1089 V1090 I1092 T1113 A1115 R1134 I1136	F966-F999 HydrophobicContact CE2-CB 4.25Å; F966-F999 HydrophobicContact CE2-CD1 4.13Å; F966-F999 HydrophobicContact CZ-CD1 4.2Å; F999-I1016 HydrophobicContact CD2-CD1 3.9Å; F999-I1016 HydrophobicContact CD2-CG1 4.47Å; F999-I1016 HydrophobicContact CD2-CG2 4.37Å; F999-I1016 HydrophobicContact CE2-CD1 4.36Å; F999-I1016 HydrophobicContact CE2-CG2 3.76Å; F999-I1016 HydrophobicContact CZ-CG2 4.41Å; F999-G1089 WeakPolarHBondContact O-CA 3.33Å; F999-V1090 PolarHBondContact N-O 2.84Å; F999-V1090 PolarHBondContact O-N 3.04Å; F999-I1092 HydrophobicContact CD2-CD1 4.44Å; F999-I1092 HydrophobicContact CE2-CD1 4.33Å; F999-T1113 HydrophobicContact CE2-CG2 4.21Å; F999-T1113 HydrophobicContact CZ-CG2 4.09Å; F999-A1115 HydrophobicContact CD1-CB 3.55Å; F999-A1115 HydrophobicContact CD2-CB 4.22Å; F999-A1115 HydrophobicContact CE1-CB 3.34Å; F999-A1115 HydrophobicContact CE2-CB 4.03Å; F999-A1115 HydrophobicContact CG-CB 3.99Å; F999-A1115 HydrophobicContact CZ-CB 3.59Å; F999-R1134 HydrophobicContact CE1-CB 4.42Å; F999-I1136 HydrophobicContact CD1-CD1 4.43Å; F999-I1136 HydrophobicContact CD2-CD1 4.48Å; F999-I1136 HydrophobicContact CE1-CD1 3.8Å; F999-I1136 HydrophobicContact CE1-CG1 3.98Å; F999-I1136 HydrophobicContact CE2-CD1 3.87Å; F999-I1136 HydrophobicContact CZ-CD1 3.49Å; F999-I1136 VanDerWaalsContact CZ-CD1 3.49Å; F999-I1136 HydrophobicContact CZ-CG1 3.87Å
1000	Q	89.8	Confident	83.9	Confident	64 Å²	64	34.4 Å²	34.4	30%	0.299	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.2	-175.4	-170.1	177	7.2	0	0	110	T967 D1087 I1088	T967-Q1000 PolarHBondContact N-O 2.83Å; T967-Q1000 PolarHBondContact O-N 3.41Å; Q1000-D1087 PolarHBondContact NE2-OD2 3.33Å; Q1000-I1088 WeakPolarHBondContact CA-O 3.26Å
1001	I	91.3	Very high	85.2	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.1	178.9	-46.8	168.3	0	0	0	107.7	F966 L1012 L1014 V1080 I1082 D1087 I1088 M1117	F966-I1001 HydrophobicContact CD2-CG1 3.92Å; F966-I1001 HydrophobicContact CE2-CG1 4.22Å; I1001-L1012 HydrophobicContact CD1-CD2 4.17Å; I1001-L1012 HydrophobicContact CG2-CD2 4.35Å; I1001-L1014 HydrophobicContact CD1-CD1 4.27Å; I1001-L1014 HydrophobicContact CD1-CD2 4.1Å; I1001-V1080 HydrophobicContact CD1-CG1 4.5Å; I1001-I1082 HydrophobicContact CB-CD1 3.63Å; I1001-I1082 HydrophobicContact CD1-CD1 4.35Å; I1001-I1082 HydrophobicContact CG2-CD1 3.24Å; I1001-D1087 CarbonylContact O-C 3.59Å; I1001-D1087 VanDerWaalsContact O-CA 3.25Å; I1001-D1087 WeakPolarHBondContact O-CA 3.45Å; I1001-I1088 HydrophobicContact CB-CG2 4.16Å; I1001-I1088 PolarHBondContact N-O 2.88Å; I1001-I1088 PolarHBondContact O-N 2.87Å; I1001-M1117 HydrophobicContact CB-SD 4.47Å; I1001-M1117 HydrophobicContact CD1-CG 4.38Å; I1001-M1117 HydrophobicContact CD1-SD 3.69Å; I1001-M1117 HydrophobicContact CG1-SD 3.77Å; I1001-M1117 HydrophobicContact CG2-CE 3.97Å; I1001-M1117 HydrophobicContact CG2-SD 3.86Å
1002	Q	90.9	Very high	86.5	Confident	74 Å²	74	31.8 Å²	31.8	35%	0.346	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.3	-179.5	-179.3	178.7	18.4	0	0	110.1	L964 L965 L1004 D1087	L964-Q1002 CarbonylContact C-O 3.51Å; L964-Q1002 WeakPolarHBondContact CA-O 3.44Å; L965-Q1002 HydrophobicContact CB-CB 4.27Å; L965-Q1002 PolarHBondContact N-O 2.78Å; L965-Q1002 PolarHBondContact O-N 2.94Å; Q1002-L1004 HydrophobicContact CG-CD2 3.98Å; Q1002-D1087 HydrophobicContact CB-CB 3.97Å; Q1002-D1087 HydrophobicContact CG-CB 4.12Å
1003	N	90.5	Very high	87.4	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.8	174.2	-176.8	-1.7	0	0	0	110	D963 L964 G1005 F1007 I1082 A1083 H1085 R1086	D963-N1003 PolarHBondContact O-OD1 2.94Å; L964-N1003 HydrophobicContact CD2-CB 3.73Å; N1003-G1005 PolarHBondContact OD1-N 3.2Å; N1003-F1007 PolarHBondContact ND2-O 3.11Å; N1003-I1082 HydrophobicContact CB-CB 4.36Å; N1003-I1082 HydrophobicContact CB-CG2 3.64Å; N1003-I1082 PolarHBondContact ND2-O 2.81Å; N1003-A1083 WeakPolarHBondContact CB-O 3.44Å; N1003-A1083 PolarHBondContact ND2-O 3.07Å; N1003-H1085 WeakPolarHBondContact O-CA 3.32Å; N1003-H1085 PolarHBondContact O-N 3.21Å; N1003-H1085 VanDerWaalsContact O-N 3.08Å; N1003-R1086 PolarHBondContact N-O 2.86Å
1004	L	88.7	Confident	88.1	Confident	72 Å²	72	32.4 Å²	32.4	38%	0.377	16%	0.163	S	C	.	.			trans	-89.5	-16.8	178.9	-59.1	178.8	0	0	0	112.2	D963 L965 Q1002 H1085	D963-L1004 HydrophobicContact CB-CB 4.47Å; D963-L1004 PolarHBondContact O-N 2.78Å; D963-L1004 WeakPolarHBondContact OD2-CB 3.46Å; L965-L1004 HydrophobicContact CB-CD1 4.14Å; L965-L1004 HydrophobicContact CB-CG 4.4Å; Q1002-L1004 HydrophobicContact CG-CD2 3.98Å; L1004-H1085 PolarHBondContact O-CE1 2.76Å; L1004-H1085 PolarHBondContact O-ND1 3.27Å
1005	G	84.8	Confident	88.5	Confident	3 Å²	3	29.6 Å²	29.6	3%	0.031	14%	0.143	C	C	.	.	S	Bend	trans	-83.7	167.6	-175.3	0	0	0	0	0	115.4	D963 N1003 F1007 S1084	D963-G1005 PolarHBondContact O-N 2.07Å; N1003-G1005 PolarHBondContact OD1-N 3.2Å; G1005-F1007 VanDerWaalsContact C-N 3.34Å; G1005-S1084 WeakPolarHBondContact O-CB 3.22Å; G1005-S1084 PolarHBondContact O-OG 3.03Å
1006	Y	85.6	Confident	88.7	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.016	14%	0.143	C	C	.	.	S	Bend	trans	-71.8	-27.3	177	-172.1	-112.9	0	0	0	113.4	G842 K845 E922 R925 S1084	G842-Y1006 WeakPolarHBondContact O-CB 3.39Å; G842-Y1006 PolarHBondContact O-N 3.31Å; K845-Y1006 HydrophobicContact CB-CE1 4.34Å; K845-Y1006 HydrophobicContact CD-CD2 4.08Å; K845-Y1006 HydrophobicContact CD-CE2 3.79Å; K845-Y1006 HydrophobicContact CG-CD1 4.18Å; K845-Y1006 HydrophobicContact CG-CD2 3.83Å; K845-Y1006 HydrophobicContact CG-CE1 4.16Å; K845-Y1006 HydrophobicContact CG-CE2 3.76Å; K845-Y1006 HydrophobicContact CG-CG 4.03Å; E922-Y1006 PolarHBondContact OE1-OH 2.78Å; R925-Y1006 HydrophobicContact CG-CE1 3.97Å; R925-Y1006 PolarHBondContact NE-OH 2.92Å; R925-Y1006 PolarHBondContact NH2-OH 2.91Å; R925-Y1006 VanDerWaalsContact NH2-OH 3.08Å; Y1006-S1084 WeakPolarHBondContact CA-OG 3.16Å; Y1006-S1084 VanDerWaalsContact O-CB 3.23Å; Y1006-S1084 WeakPolarHBondContact O-CB 3.19Å; Y1006-S1084 PolarHBondContact O-OG 3.01Å
1007	F	88.9	Confident	88.9	Confident	5 Å²	5	29.5 Å²	29.5	2%	0.022	14%	0.141	C	C	.	.	S	Bend	trans	-95.4	128.4	-176	-61.4	-65.8	0	0	0	110.6	V840 F923 F928 Y960 N1003 G1005 M1125	V840-F1007 HydrophobicContact CG1-CE2 3.71Å; V840-F1007 HydrophobicContact CG1-CZ 3.74Å; F923-F1007 HydrophobicContact CB-CE1 3.59Å; F923-F1007 HydrophobicContact CB-CZ 3.79Å; F923-F1007 HydrophobicContact CD2-CZ 4.38Å; F923-F1007 HydrophobicContact CG-CE1 4.32Å; F923-F1007 HydrophobicContact CG-CZ 4.1Å; F928-F1007 HydrophobicContact CE1-CB 3.88Å; F928-F1007 AromaticContact CE1-CD1 3.76Å; F928-F1007 HydrophobicContact CE1-CD1 3.76Å; F928-F1007 HydrophobicContact CE1-CG 4.14Å; F928-F1007 HydrophobicContact CZ-CB 4.24Å; F928-F1007 HydrophobicContact CZ-CD1 4.45Å; Y960-F1007 HydrophobicContact CD1-CD2 4.38Å; Y960-F1007 HydrophobicContact CD1-CE1 4.39Å; Y960-F1007 HydrophobicContact CD1-CE2 4.2Å; Y960-F1007 HydrophobicContact CD1-CZ 4.21Å; N1003-F1007 PolarHBondContact ND2-O 3.11Å; G1005-F1007 VanDerWaalsContact C-N 3.34Å; F1007-M1125 HydrophobicContact CB-CE 4.41Å
1008	P	88.5	Confident	89	Confident	16 Å²	16	29.5 Å²	29.5	10%	0.104	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-65.4	137.4	169.1	25	-34.8	0	0	0	111.3	R925 F928 I1082 M1125	R925-P1008 WeakPolarHBondContact O-CD 3.24Å; R925-P1008 WeakPolarHBondContact O-CG 3.4Å; F928-P1008 HydrophobicContact CE2-CG 3.91Å; F928-P1008 HydrophobicContact CZ-CG 3.66Å; F928-P1008 WeakPolarHBondContact CZ-O 3.48Å; P1008-I1082 CarbonylContact C-O 3.26Å; P1008-I1082 VanDerWaalsContact CA-O 3.26Å; P1008-I1082 WeakPolarHBondContact CA-O 3.28Å; P1008-I1082 WeakPolarHBondContact CB-O 3.29Å; P1008-M1125 WeakPolarHBondContact O-CE 3.25Å
1009	V	88.1	Confident	89	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.7	177.2	-178	0	0	0	0	108.8	L964 L1012 I1082 L1119 M1125	L964-V1009 HydrophobicContact CD1-CB 4.49Å; L964-V1009 HydrophobicContact CD1-CG1 4.24Å; L964-V1009 HydrophobicContact CD1-CG2 4.32Å; L964-V1009 HydrophobicContact CD2-CB 4.32Å; L964-V1009 HydrophobicContact CD2-CG2 3.79Å; L964-V1009 HydrophobicContact CG-CG2 4.17Å; V1009-L1012 HydrophobicContact CG1-CB 4.36Å; V1009-I1082 PolarHBondContact N-O 2.85Å; V1009-I1082 PolarHBondContact O-N 2.91Å; V1009-L1119 HydrophobicContact CG1-CD2 3.72Å; V1009-M1125 HydrophobicContact CB-SD 4.44Å; V1009-M1125 HydrophobicContact CG1-SD 4.34Å; V1009-M1125 HydrophobicContact CG2-SD 4.16Å
1010	R	86.4	Confident	88.7	Confident	120 Å²	120	29 Å²	29	45%	0.453	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	155	-177.6	-65.1	-172.1	-177.2	175.2	4.1	112.3	L1012 N1081	R1010-L1012 PolarHBondContact O-N 3.28Å; R1010-L1012 VanDerWaalsContact O-N 3.13Å; R1010-N1081 WeakPolarHBondContact CA-OD1 3.41Å; R1010-N1081 WeakPolarHBondContact CB-OD1 3.26Å
1011	D	85.1	Confident	88.6	Confident	84 Å²	84	26.5 Å²	26.5	45%	0.449	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.8	29.8	176.4	-55.7	-50.3	0	0	0	113.4	Q1013 T1079 N1081 P1120	D1011-Q1013 PolarHBondContact O-N 2.76Å; D1011-T1079 HydrophobicContact CB-CG2 4.31Å; D1011-N1081 PolarHBondContact N-OD1 2.8Å; D1011-P1120 HydrophobicContact CB-CG 4.11Å; D1011-P1120 VanDerWaalsContact O-CD 3.31Å; D1011-P1120 WeakPolarHBondContact O-CD 3.46Å; D1011-P1120 WeakPolarHBondContact O-CG 3.47Å
1012	L	89.8	Confident	88.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	118.7	176	-178.1	73.7	0	0	0	108.3	L964 I1001 V1009 R1010 L1014 V1080 I1082 M1117 L1119	L964-L1012 HydrophobicContact CD1-CD1 4.21Å; L964-L1012 HydrophobicContact CD1-CD2 3.95Å; I1001-L1012 HydrophobicContact CD1-CD2 4.17Å; I1001-L1012 HydrophobicContact CG2-CD2 4.35Å; V1009-L1012 HydrophobicContact CG1-CB 4.36Å; R1010-L1012 PolarHBondContact O-N 3.28Å; R1010-L1012 VanDerWaalsContact O-N 3.13Å; L1012-L1014 PolarHBondContact O-N 3.01Å; L1012-V1080 HydrophobicContact CB-CB 4.33Å; L1012-V1080 WeakPolarHBondContact CB-O 3.21Å; L1012-V1080 PolarHBondContact N-O 3.19Å; L1012-V1080 PolarHBondContact O-N 2.73Å; L1012-I1082 HydrophobicContact CD2-CD1 4.04Å; L1012-M1117 HydrophobicContact CD1-CB 4.23Å; L1012-M1117 HydrophobicContact CD1-CE 4.18Å; L1012-M1117 HydrophobicContact CD2-CE 3.73Å; L1012-M1117 HydrophobicContact CD2-CG 4.48Å; L1012-M1117 HydrophobicContact CD2-SD 4.23Å; L1012-M1117 HydrophobicContact CG-CE 4.47Å; L1012-L1119 HydrophobicContact CB-CD2 4.46Å; L1012-L1119 HydrophobicContact CD1-CD2 3.71Å; L1012-L1119 HydrophobicContact CD1-CG 4.1Å
1013	Q	90.2	Very high	87.9	Confident	89 Å²	89	29.4 Å²	29.4	42%	0.416	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.7	177.3	-64.3	-170.7	-0.7	0	0	109	D1011 M1117 E1118	D1011-Q1013 PolarHBondContact O-N 2.76Å; Q1013-M1117 CarbonylContact O-C 3.59Å; Q1013-M1117 WeakPolarHBondContact O-CA 3.42Å; Q1013-E1118 PolarHBondContact N-O 3.44Å; Q1013-E1118 PolarHBondContact O-N 2.93Å
1014	L	91.1	Very high	87.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	112.9	170.3	175.2	69	0	0	0	108.4	F966 I1001 L1012 I1016 C1078 V1080 V1090 A1115 M1117	F966-L1014 HydrophobicContact CE2-CD1 4.42Å; F966-L1014 HydrophobicContact CZ-CD1 4.16Å; I1001-L1014 HydrophobicContact CD1-CD1 4.27Å; I1001-L1014 HydrophobicContact CD1-CD2 4.1Å; L1012-L1014 PolarHBondContact O-N 3.01Å; L1014-I1016 HydrophobicContact CD1-CG1 4.33Å; L1014-I1016 HydrophobicContact CD2-CD1 4.02Å; L1014-I1016 HydrophobicContact CD2-CG1 4.3Å; L1014-I1016 HydrophobicContact CG-CD1 4.27Å; L1014-I1016 HydrophobicContact CG-CG1 3.99Å; L1014-C1078 HydrophobicContact CB-CB 4.09Å; L1014-C1078 HydrophobicContact CD2-CB 4.39Å; L1014-C1078 PolarHBondContact N-O 3.39Å; L1014-C1078 PolarHBondContact O-N 3.34Å; L1014-V1080 HydrophobicContact CB-CG2 3.8Å; L1014-V1080 HydrophobicContact CD2-CG2 4.22Å; L1014-V1090 HydrophobicContact CD2-CB 4.35Å; L1014-V1090 HydrophobicContact CD2-CG2 3.75Å; L1014-A1115 HydrophobicContact CD1-CB 4.32Å; L1014-M1117 HydrophobicContact CD1-CG 3.86Å
1015	N	90.7	Very high	86.8	Confident	29 Å²	29	32.2 Å²	32.2	16%	0.155	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113	178.7	-65.5	-46.9	0	0	0	108.9	A1115 S1116	N1015-A1115 CarbonylContact O-C 3.46Å; N1015-A1115 VanDerWaalsContact O-CA 3.3Å; N1015-A1115 WeakPolarHBondContact O-CA 3.33Å; N1015-S1116 PolarHBondContact N-O 3.31Å; N1015-S1116 PolarHBondContact O-N 3.49Å
1016	I	90.6	Very high	86.8	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.6	178.4	-48.2	174.8	0	0	0	108.6	F999 L1014 I1018 I1076 V1090 I1092 T1113 S1114 A1115	F999-I1016 HydrophobicContact CD2-CD1 3.9Å; F999-I1016 HydrophobicContact CD2-CG1 4.47Å; F999-I1016 HydrophobicContact CD2-CG2 4.37Å; F999-I1016 HydrophobicContact CE2-CD1 4.36Å; F999-I1016 HydrophobicContact CE2-CG2 3.76Å; F999-I1016 HydrophobicContact CZ-CG2 4.41Å; L1014-I1016 HydrophobicContact CD1-CG1 4.33Å; L1014-I1016 HydrophobicContact CD2-CD1 4.02Å; L1014-I1016 HydrophobicContact CD2-CG1 4.3Å; L1014-I1016 HydrophobicContact CG-CD1 4.27Å; L1014-I1016 HydrophobicContact CG-CG1 3.99Å; I1016-I1018 HydrophobicContact CG2-CG1 4.32Å; I1016-I1076 HydrophobicContact CB-CB 4.23Å; I1016-I1076 PolarHBondContact N-O 3.33Å; I1016-I1076 PolarHBondContact O-N 3.47Å; I1016-V1090 HydrophobicContact CD1-CB 4.5Å; I1016-V1090 HydrophobicContact CD1-CG1 3.92Å; I1016-I1092 HydrophobicContact CD1-CD1 3.95Å; I1016-I1092 HydrophobicContact CG2-CD1 3.88Å; I1016-T1113 HydrophobicContact CG2-CG2 4.02Å; I1016-S1114 CarbonylContact C-O 3.56Å; I1016-S1114 WeakPolarHBondContact CA-O 3.03Å; I1016-A1115 HydrophobicContact CB-CB 4.49Å; I1016-A1115 HydrophobicContact CG1-CB 4Å; I1016-A1115 HydrophobicContact CG2-CB 4.41Å
1017	E	89.8	Confident	86.8	Confident	39 Å²	39	33 Å²	33	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.6	-179.3	-62.2	-179.3	172.7	0	0	109.9	Q1068 T1073 T1113 S1114	E1017-Q1068 PolarHBondContact OE1-NE2 2.87Å; E1017-Q1068 WeakPolarHBondContact OE2-CB 3.19Å; E1017-Q1068 WeakPolarHBondContact OE2-CG 3.38Å; E1017-Q1068 PolarHBondContact OE2-NE2 3.4Å; E1017-Q1068 PolarHBondContact OE2-OE1 2.87Å; E1017-T1073 HydrophobicContact CB-CG2 4.46Å; E1017-T1113 WeakPolarHBondContact O-CA 3.32Å; E1017-T1113 WeakPolarHBondContact O-CG2 3.35Å; E1017-S1114 PolarHBondContact N-O 2.84Å; E1017-S1114 PolarHBondContact O-N 2.98Å; E1017-S1114 VanDerWaalsContact O-N 3.11Å
1018	I	89.3	Confident	86.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.8	-178.5	-51.2	172	0	0	0	108.9	I1016 E1020 L1029 I1031 T1073 L1074 I1076 I1092 T1113	I1016-I1018 HydrophobicContact CG2-CG1 4.32Å; I1018-E1020 PolarHBondContact O-N 2.85Å; I1018-L1029 HydrophobicContact CG2-CD1 3.89Å; I1018-I1031 HydrophobicContact CD1-CD1 4.04Å; I1018-I1031 HydrophobicContact CD1-CG1 4.26Å; I1018-I1031 HydrophobicContact CG2-CD1 4.3Å; I1018-T1073 CarbonylContact O-C 3.52Å; I1018-T1073 WeakPolarHBondContact O-CA 3.39Å; I1018-T1073 WeakPolarHBondContact O-CB 3.28Å; I1018-L1074 PolarHBondContact N-O 2.98Å; I1018-L1074 VanDerWaalsContact N-O 3.13Å; I1018-L1074 PolarHBondContact O-N 3.22Å; I1018-I1076 HydrophobicContact CD1-CD1 3.73Å; I1018-I1092 HydrophobicContact CD1-CD1 4.12Å; I1018-I1092 HydrophobicContact CD1-CG2 3.83Å; I1018-T1113 HydrophobicContact CG1-CG2 3.99Å
1019	P	88.2	Confident	86.6	Confident	1 Å²	1	32 Å²	32	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	90.1	175.4	30.4	-34.8	0	0	0	110.8	L1029 T1071 L1111	P1019-L1029 WeakPolarHBondContact O-CD1 3.19Å; P1019-T1071 HydrophobicContact CB-CG2 4.25Å; P1019-T1071 WeakPolarHBondContact CB-OG1 3.35Å; P1019-L1111 HydrophobicContact CG-CB 3.91Å
1020	E	85.5	Confident	86.4	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-38.9	-175.4	-169.6	-177.1	-160	0	0	112.3	I1018 Q1027 L1028 L1029 L1072 L1074	I1018-E1020 PolarHBondContact O-N 2.85Å; E1020-Q1027 HydrophobicContact CG-CG 4.43Å; E1020-Q1027 PolarHBondContact OE1-NE2 2.86Å; E1020-L1028 PolarHBondContact O-N 3Å; E1020-L1029 WeakPolarHBondContact CG-O 3.19Å; E1020-L1029 PolarHBondContact O-N 3.06Å; E1020-L1072 PolarHBondContact N-O 3.39Å; E1020-L1074 HydrophobicContact CB-CB 4.08Å
1021	M	86.8	Confident	86.3	Confident	13 Å²	13	29.3 Å²	29.3	6%	0.064	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.9	-171.8	-83.4	176.6	-82	0	0	112.7	N1026 Q1027 I1050 T1071 L1072	M1021-N1026 CarbonylContact C-O 3.57Å; M1021-N1026 VanDerWaalsContact CA-O 3.28Å; M1021-N1026 WeakPolarHBondContact CA-O 3.48Å; M1021-Q1027 HydrophobicContact CG-CB 3.98Å; M1021-Q1027 HydrophobicContact CG-CG 4.21Å; M1021-I1050 HydrophobicContact CE-CB 4.07Å; M1021-T1071 VanDerWaalsContact O-CB 3.24Å; M1021-T1071 WeakPolarHBondContact O-CB 3.41Å; M1021-L1072 HydrophobicContact CB-CB 3.9Å; M1021-L1072 HydrophobicContact CB-CD1 4.34Å; M1021-L1072 PolarHBondContact N-O 2.63Å; M1021-L1072 VanDerWaalsContact N-O 3.08Å; M1021-L1072 PolarHBondContact O-N 2.87Å
1022	T	85.9	Confident	86	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	164.8	165.9	76.3	0	0	0	0	110.6	N1024 G1025 N1026 L1028 E1058 L1060 L1104	T1022-N1024 PolarHBondContact O-N 2.79Å; T1022-N1024 PolarHBondContact OG1-N 2.95Å; T1022-G1025 PolarHBondContact O-N 3.47Å; T1022-N1026 HydrophobicContact CG2-CB 3.94Å; T1022-N1026 PolarHBondContact N-O 3.03Å; T1022-N1026 WeakPolarHBondContact OG1-CB 3.3Å; T1022-N1026 PolarHBondContact OG1-N 2.62Å; T1022-L1028 HydrophobicContact CG2-CD1 4Å; T1022-L1028 HydrophobicContact CG2-CD2 3.92Å; T1022-L1028 HydrophobicContact CG2-CG 4.09Å; T1022-E1058 VanDerWaalsContact CB-OE2 3.24Å; T1022-E1058 WeakPolarHBondContact CB-OE2 3.35Å; T1022-E1058 WeakPolarHBondContact CG2-OE2 3.46Å; T1022-E1058 PolarHBondContact OG1-OE2 3.12Å; T1022-L1060 HydrophobicContact CG2-CD1 4.07Å; T1022-L1104 HydrophobicContact CG2-CD1 4.39Å
1023	K	81.5	Confident	85.3	Confident	133 Å²	133	34.9 Å²	34.9	58%	0.578	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.4	174.8	-76.1	-177.2	175.9	174.4	0	113.5	G1025 S1069	K1023-G1025 VanDerWaalsContact C-N 3.3Å; K1023-S1069 PolarHBondContact NZ-O 3.37Å
1024	N	79.9	Confident	84.8	Confident	107 Å²	107	32.7 Å²	32.7	57%	0.572	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	4.5	177.3	-67.5	-8.4	0	0	0	113.3	T1022 E1058	T1022-N1024 PolarHBondContact O-N 2.79Å; T1022-N1024 PolarHBondContact OG1-N 2.95Å; N1024-E1058 PolarHBondContact ND2-OE1 2.73Å
1025	G	76.8	Confident	84.3	Confident	25 Å²	25	38.5 Å²	38.5	26%	0.258	19%	0.186	S	C	.	.	S	Bend	trans	87.7	15.2	175.5	0	0	0	0	0	115.1	T1022 K1023 Q1027	T1022-G1025 PolarHBondContact O-N 3.47Å; K1023-G1025 VanDerWaalsContact C-N 3.3Å; G1025-Q1027 PolarHBondContact O-N 3.28Å
1026	N	85.1	Confident	83.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.			trans	-81	114.1	174.5	-72	-48.2	0	0	0	110.1	M1021 T1022 L1028 R1054 S1056 E1058 T1100 L1104	M1021-N1026 CarbonylContact C-O 3.57Å; M1021-N1026 VanDerWaalsContact CA-O 3.28Å; M1021-N1026 WeakPolarHBondContact CA-O 3.48Å; T1022-N1026 HydrophobicContact CG2-CB 3.94Å; T1022-N1026 PolarHBondContact N-O 3.03Å; T1022-N1026 WeakPolarHBondContact OG1-CB 3.3Å; T1022-N1026 PolarHBondContact OG1-N 2.62Å; N1026-L1028 PolarHBondContact O-N 2.98Å; N1026-R1054 PolarHBondContact OD1-O 3.15Å; N1026-S1056 PolarHBondContact ND2-O 3.02Å; N1026-S1056 PolarHBondContact ND2-OG 2.97Å; N1026-S1056 PolarHBondContact OD1-N 2.9Å; N1026-S1056 PolarHBondContact OD1-O 2.93Å; N1026-S1056 PolarHBondContact OD1-OG 3.21Å; N1026-S1056 VanDerWaalsContact OD1-OG 3.09Å; N1026-E1058 PolarHBondContact ND2-OE2 3.21Å; N1026-T1100 HydrophobicContact CB-CG2 3.5Å; N1026-L1104 HydrophobicContact CB-CD2 4.2Å
1027	Q	85.2	Confident	82.6	Confident	25 Å²	25	42 Å²	42	12%	0.117	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-74.3	116.6	178.7	-168.2	176.7	16.6	0	0	112.1	E1020 M1021 G1025 L1029 S1053 R1097 T1100	E1020-Q1027 HydrophobicContact CG-CG 4.43Å; E1020-Q1027 PolarHBondContact OE1-NE2 2.86Å; M1021-Q1027 HydrophobicContact CG-CB 3.98Å; M1021-Q1027 HydrophobicContact CG-CG 4.21Å; G1025-Q1027 PolarHBondContact O-N 3.28Å; Q1027-L1029 WeakPolarHBondContact CG-O 3.25Å; Q1027-L1029 PolarHBondContact NE2-O 2.78Å; Q1027-S1053 WeakPolarHBondContact CB-OG 3.43Å; Q1027-R1097 HydrophobicContact CG-CG 4.4Å; Q1027-R1097 VanDerWaalsContact O-CB 3.29Å; Q1027-R1097 WeakPolarHBondContact O-CB 3.2Å; Q1027-T1100 WeakPolarHBondContact O-CB 3.13Å; Q1027-T1100 VanDerWaalsContact O-CG2 3.27Å; Q1027-T1100 WeakPolarHBondContact O-CG2 3.46Å; Q1027-T1100 PolarHBondContact O-OG1 2.88Å
1028	L	85.8	Confident	81.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.			trans	-92.3	-40.4	-177	-57.2	176	0	0	0	112.2	E1020 T1022 N1026 L1066 R1097 L1101 L1104 L1111	E1020-L1028 PolarHBondContact O-N 3Å; T1022-L1028 HydrophobicContact CG2-CD1 4Å; T1022-L1028 HydrophobicContact CG2-CD2 3.92Å; T1022-L1028 HydrophobicContact CG2-CG 4.09Å; N1026-L1028 PolarHBondContact O-N 2.98Å; L1028-L1066 HydrophobicContact CD1-CD1 3.57Å; L1028-R1097 PolarHBondContact O-N 3.37Å; L1028-L1101 HydrophobicContact CD2-CD2 3.87Å; L1028-L1104 HydrophobicContact CD2-CD1 3.34Å; L1028-L1111 HydrophobicContact CB-CD1 4.43Å; L1028-L1111 HydrophobicContact CD1-CD2 3.96Å
1029	L	86.6	Confident	79.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.2	-177	-57.2	177.3	0	0	0	109.7	F995 I1018 P1019 E1020 Q1027 L1096 L1111 L1138	F995-L1029 HydrophobicContact CD1-CD2 4.37Å; F995-L1029 HydrophobicContact CE1-CB 4.22Å; F995-L1029 HydrophobicContact CE1-CD1 4.44Å; F995-L1029 HydrophobicContact CE1-CD2 3.71Å; F995-L1029 HydrophobicContact CE1-CG 4.34Å; F995-L1029 HydrophobicContact CZ-CB 4.25Å; F995-L1029 HydrophobicContact CZ-CD1 4.1Å; F995-L1029 HydrophobicContact CZ-CD2 4.21Å; F995-L1029 HydrophobicContact CZ-CG 4.43Å; I1018-L1029 HydrophobicContact CG2-CD1 3.89Å; P1019-L1029 WeakPolarHBondContact O-CD1 3.19Å; E1020-L1029 WeakPolarHBondContact CG-O 3.19Å; E1020-L1029 PolarHBondContact O-N 3.06Å; Q1027-L1029 WeakPolarHBondContact CG-O 3.25Å; Q1027-L1029 PolarHBondContact NE2-O 2.78Å; L1029-L1096 HydrophobicContact CD2-CG 4.07Å; L1029-L1111 HydrophobicContact CD1-CD1 3.94Å; L1029-L1111 HydrophobicContact CD2-CD1 3.79Å; L1029-L1111 HydrophobicContact CG-CD1 3.87Å; L1029-L1138 HydrophobicContact CD2-CD2 3.91Å
1030	Q	85.1	Confident	78.5	Confident	53 Å²	53	61 Å²	61	25%	0.248	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.3	171.1	-179.2	170.9	-4.2	0	0	108.9	F1032 G1094 A1095 R1097	Q1030-F1032 HydrophobicContact CG-CD1 4.44Å; Q1030-F1032 HydrophobicContact CG-CE1 3.95Å; Q1030-G1094 CarbonylContact O-C 3.52Å; Q1030-G1094 WeakPolarHBondContact O-CA 3.39Å; Q1030-A1095 PolarHBondContact N-O 2.9Å; Q1030-A1095 PolarHBondContact O-N 3.1Å; Q1030-R1097 HydrophobicContact CB-CG 4.1Å
1031	I	83.9	Confident	77.4	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.051	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.6	178.5	-52.4	-55.2	0	0	0	108.9	F995 I1018 L1074 I1092	F995-I1031 HydrophobicContact CE2-CD1 4.19Å; F995-I1031 HydrophobicContact CZ-CD1 3.59Å; I1018-I1031 HydrophobicContact CD1-CD1 4.04Å; I1018-I1031 HydrophobicContact CD1-CG1 4.26Å; I1018-I1031 HydrophobicContact CG2-CD1 4.3Å; I1031-L1074 HydrophobicContact CB-CD2 4.36Å; I1031-L1074 HydrophobicContact CG1-CD2 3.86Å; I1031-I1092 HydrophobicContact CD1-CG2 4.28Å; I1031-I1092 HydrophobicContact CG2-CG2 4.15Å
1032	F	78.6	Confident	76.9	Confident	106 Å²	106	62.9 Å²	62.9	47%	0.465	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-47.6	178.7	-61.4	-50	0	0	0	112.1	I991 Q1030 T1093 A1095	I991-F1032 HydrophobicContact CD1-CE1 4.09Å; I991-F1032 HydrophobicContact CD1-CZ 4.15Å; I991-F1032 HydrophobicContact CG2-CE2 4.44Å; I991-F1032 HydrophobicContact CG2-CZ 3.61Å; Q1030-F1032 HydrophobicContact CG-CD1 4.44Å; Q1030-F1032 HydrophobicContact CG-CE1 3.95Å; F1032-T1093 PolarHBondContact N-O 3.41Å; F1032-A1095 HydrophobicContact CE2-CB 3.57Å; F1032-A1095 HydrophobicContact CZ-CB 3.64Å
1033	D	74.3	Confident	76.5	Confident	96 Å²	96	72.3 Å²	72.3	51%	0.513	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	156.1	-172.7	-156.9	2.3	0	0	0	111.2	T1093	D1033-T1093 PolarHBondContact N-O 3.21Å; D1033-T1093 PolarHBondContact O-N 2.96Å; D1033-T1093 PolarHBondContact O-OG1 3.49Å
1034	F	81.4	Confident	76.4	Confident	42 Å²	42	67.1 Å²	67.1	18%	0.184	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.4	168.8	67.6	-84.8	0	0	0	109.4	I1036 C1044 R1091	F1034-I1036 HydrophobicContact CE2-CD1 4.46Å; F1034-C1044 HydrophobicContact CD2-CB 4.42Å; F1034-C1044 HydrophobicContact CE2-CB 3.68Å; F1034-C1044 HydrophobicContact CZ-CB 4.29Å; F1034-R1091 CarbonylContact C-O 3.58Å; F1034-R1091 VanDerWaalsContact CA-O 3.23Å; F1034-R1091 WeakPolarHBondContact CA-O 3.47Å
1035	Y	80.1	Confident	76.2	Confident	123 Å²	123	67.5 Å²	67.5	48%	0.482	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.6	-177.4	-177.9	-96.2	0	0	0	110.6	D1037 R1091	Y1035-D1037 VanDerWaalsContact CE1-OD1 3.25Å; Y1035-D1037 WeakPolarHBondContact CE1-OD1 3.44Å; Y1035-R1091 PolarHBondContact N-O 2.78Å; Y1035-R1091 PolarHBondContact O-N 3.16Å
1036	I	80.1	Confident	75.5	Confident	16 Å²	16	70.8 Å²	70.8	8%	0.082	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127	178	-53.5	163.3	0	0	0	106.9	F1034 E1038 T1042 C1044 I1088	F1034-I1036 HydrophobicContact CE2-CD1 4.46Å; I1036-E1038 WeakPolarHBondContact CG2-O 3.49Å; I1036-E1038 PolarHBondContact O-N 3.39Å; I1036-T1042 HydrophobicContact CD1-CG2 4.29Å; I1036-T1042 HydrophobicContact CG2-CG2 4.19Å; I1036-C1044 HydrophobicContact CD1-CB 4.26Å; I1036-C1044 WeakPolarHBondContact CD1-SG 3.09Å; I1036-I1088 HydrophobicContact CG2-CD1 3.77Å; I1036-I1088 HydrophobicContact CG2-CG1 4.08Å
1037	D	65.4	Low	74.5	Confident	88 Å²	88	72.2 Å²	72.2	47%	0.471	35%	0.353	S	S	.	.	S	Bend	trans	-64.4	-34.2	-172.1	-66	-33	0	0	0	113.6	Y1035 G1089	Y1035-D1037 VanDerWaalsContact CE1-OD1 3.25Å; Y1035-D1037 WeakPolarHBondContact CE1-OD1 3.44Å; D1037-G1089 PolarHBondContact N-O 2.61Å; D1037-G1089 VanDerWaalsContact OD2-CA 3.28Å; D1037-G1089 WeakPolarHBondContact OD2-CA 3.31Å; D1037-G1089 PolarHBondContact OD2-N 2.9Å
1038	E	62.7	Low	73.3	Confident	92 Å²	92	79.1 Å²	79.1	43%	0.43	39%	0.386	S	S	.	.			trans	-133.8	133.6	175.4	-86	-176.6	167.1	0	0	111.5	I1036	I1036-E1038 WeakPolarHBondContact CG2-O 3.49Å; I1036-E1038 PolarHBondContact O-N 3.39Å
1039	R	60.1	Low	71.9	Confident	206 Å²	206	85.2 Å²	85.2	78%	0.777	41%	0.414	S	S	*	.			trans	-101.7	16.9	-177.2	-70.5	-167.5	-173	-154.5	1.2	115	G1041	R1039-G1041 VanDerWaalsContact C-N 3.35Å; R1039-G1041 PolarHBondContact O-N 2.95Å
1040	D	57.6	Low	70.4	Confident	140 Å²	140	89.8 Å²	89.8	75%	0.749	44%	0.437	S	S	*	.	S	Bend	trans	-71.7	88.9	179.5	-91.3	-9.2	0	0	0	111.1	T1042	D1040-T1042 PolarHBondContact O-N 2.81Å
1041	G	63.2	Low	68.8	Low	44 Å²	44	91.6 Å²	91.6	45%	0.454	46%	0.461	S	S	.	.	S	Bend	trans	76.5	-5.7	175.6	0	0	0	0	0	115.7	R1039 N1081	R1039-G1041 VanDerWaalsContact C-N 3.35Å; R1039-G1041 PolarHBondContact O-N 2.95Å; G1041-N1081 PolarHBondContact O-ND2 2.68Å
1042	T	76.3	Confident	67.5	Low	13 Å²	13	99.4 Å²	99.4	8%	0.08	50%	0.502	C	S	.	.			trans	-76.8	128.6	173.8	-65.1	0	0	0	0	110.6	I1036 D1040 T1079 V1080 N1081 I1088	I1036-T1042 HydrophobicContact CD1-CG2 4.29Å; I1036-T1042 HydrophobicContact CG2-CG2 4.19Å; D1040-T1042 PolarHBondContact O-N 2.81Å; T1042-T1079 CarbonylContact C-O 3.55Å; T1042-T1079 VanDerWaalsContact CA-O 3.29Å; T1042-T1079 WeakPolarHBondContact CA-O 3.28Å; T1042-V1080 HydrophobicContact CG2-CG2 4.28Å; T1042-N1081 PolarHBondContact OG1-N 2.84Å; T1042-I1088 HydrophobicContact CG2-CD1 4.11Å
1043	R	77.8	Confident	66.5	Low	200 Å²	200	96 Å²	96	76%	0.755	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.7	-179.4	-63.3	-178.1	-176.3	-175.1	1.8	109.6	C1078 T1079	R1043-C1078 CarbonylContact O-C 3.28Å; R1043-C1078 WeakPolarHBondContact O-CA 3.3Å; R1043-T1079 PolarHBondContact N-O 3.12Å; R1043-T1079 PolarHBondContact O-N 2.84Å
1044	C	78.3	Confident	65.8	Low	23 Å²	23	101.7 Å²	101.7	16%	0.155	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.9	168.8	-59.1	0	0	0	0	108.9	F1034 I1036 Q1077 C1078	F1034-C1044 HydrophobicContact CD2-CB 4.42Å; F1034-C1044 HydrophobicContact CE2-CB 3.68Å; F1034-C1044 HydrophobicContact CZ-CB 4.29Å; I1036-C1044 HydrophobicContact CD1-CB 4.26Å; I1036-C1044 WeakPolarHBondContact CD1-SG 3.09Å; C1044-Q1077 WeakPolarHBondContact CA-O 3.49Å; C1044-C1078 HydrophobicContact CB-CB 4.12Å; C1044-C1078 WeakPolarHBondContact CB-SG 3.16Å; C1044-C1078 WeakPolarHBondContact SG-CB 3.17Å; C1044-C1078 CovalentContact SG-SG 2.04Å; C1044-C1078 PolarHBondContact SG-SG 3.49Å
1045	L	76.8	Confident	65.1	Low	115 Å²	115	102.5 Å²	102.5	60%	0.602	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-74.5	132.9	172.8	-67	173.3	0	0	0	108.9	Q1077	L1045-Q1077 PolarHBondContact N-O 2.89Å
1046	P	62.1	Low	64.8	Low	94 Å²	94	98.5 Å²	98.5	61%	0.61	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-63.3	143.8	176.9	26.7	-32.7	0	0	0	109.7	Q1048	P1046-Q1048 PolarHBondContact O-N 2.84Å
1047	P	64.1	Low	64.7	Low	30 Å²	30	103.5 Å²	103.5	20%	0.195	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-60	128.6	179	22.9	-30.6	0	0	0	110.1	H1049 L1074	P1047-H1049 PolarHBondContact O-N 2.78Å; P1047-L1074 HydrophobicContact CB-CD1 3.84Å; P1047-L1074 HydrophobicContact CB-CD2 3.85Å; P1047-L1074 HydrophobicContact CB-CG 4.11Å
1048	Q	59.1	Low	65.5	Low	170 Å²	170	100.7 Å²	100.7	79%	0.794	53%	0.528	S	S	*	.			trans	-85.2	106.5	168.3	-71.5	-175.8	-1.6	0	0	107.9	P1046 I1050	P1046-Q1048 PolarHBondContact O-N 2.84Å; Q1048-I1050 PolarHBondContact O-N 2.94Å
1049	H	56.5	Low	66.3	Low	128 Å²	128	99.9 Å²	99.9	59%	0.593	53%	0.526	S	S	*	.			trans	-62.5	125.1	177.2	-69.8	-69.8	0	0	0	110.7	P1047 A1051	P1047-H1049 PolarHBondContact O-N 2.78Å; H1049-A1051 PolarHBondContact O-N 3Å
1050	I	54.2	Low	67.4	Low	96 Å²	96	90.2 Å²	90.2	49%	0.492	49%	0.49	S	S	.	.			trans	-89.9	96.7	176.3	-56.2	176	0	0	0	108.4	M1021 Q1048	M1021-I1050 HydrophobicContact CE-CB 4.07Å; Q1048-I1050 PolarHBondContact O-N 2.94Å
1051	A	53.5	Low	68.3	Low	91 Å²	91	87 Å²	87	75%	0.752	48%	0.479	S	S	*	.	S	Bend	trans	59.2	166.7	159.9	0	0	0	0	0	120.1	H1049 S1053	H1049-A1051 PolarHBondContact O-N 3Å; A1051-S1053 PolarHBondContact O-N 2.92Å
1052	L	55	Low	68.8	Low	175 Å²	175	95.9 Å²	95.9	92%	0.916	50%	0.499	S	S	*	.			trans	-66.2	121.7	177.1	-99.9	95	0	0	0	111.6
1053	S	57.7	Low	68.8	Low	33 Å²	33	100 Å²	100	23%	0.231	52%	0.515	C	S	.	.			trans	-67.4	138.9	173.2	177.4	0	0	0	0	112.4	Q1027 A1051	Q1027-S1053 WeakPolarHBondContact CB-OG 3.43Å; A1051-S1053 PolarHBondContact O-N 2.92Å
1054	R	60.8	Low	68.6	Low	216 Å²	216	94.3 Å²	94.3	82%	0.815	51%	0.506	S	S	*	.			trans	-125	118.9	167.3	-74.9	-177	178.3	173.7	0.1	108.7	N1026 S1056	N1026-R1054 PolarHBondContact OD1-O 3.15Å; R1054-S1056 PolarHBondContact O-N 3.3Å
1055	A	65	Low	68.9	Low	60 Å²	60	99.6 Å²	99.6	50%	0.496	52%	0.523	S	S	.	.			trans	-67.5	112.4	172.4	0	0	0	0	0	109.7
1056	S	75.2	Confident	69.4	Low	38 Å²	38	94.3 Å²	94.3	27%	0.266	50%	0.495	S	S	.	.			trans	-124.7	140.6	179.6	65.4	0	0	0	0	110.8	N1026 R1054 E1058	N1026-S1056 PolarHBondContact ND2-O 3.02Å; N1026-S1056 PolarHBondContact ND2-OG 2.97Å; N1026-S1056 PolarHBondContact OD1-N 2.9Å; N1026-S1056 PolarHBondContact OD1-O 2.93Å; N1026-S1056 PolarHBondContact OD1-OG 3.21Å; N1026-S1056 VanDerWaalsContact OD1-OG 3.09Å; R1054-S1056 PolarHBondContact O-N 3.3Å; S1056-E1058 PolarHBondContact O-N 3.3Å
1057	P	76.5	Confident	70.4	Confident	121 Å²	121	92.5 Å²	92.5	79%	0.786	48%	0.48	S	S	*	.			trans	-62.3	123.1	177.6	-20.2	31.6	0	0	0	111.5
1058	E	82.4	Confident	71.2	Confident	29 Å²	29	96.3 Å²	96.3	14%	0.136	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.7	177.6	170.9	-176	-162.9	0	0	110.2	T1022 N1024 N1026 S1056 L1060 L1104 K1105	T1022-E1058 VanDerWaalsContact CB-OE2 3.24Å; T1022-E1058 WeakPolarHBondContact CB-OE2 3.35Å; T1022-E1058 WeakPolarHBondContact CG2-OE2 3.46Å; T1022-E1058 PolarHBondContact OG1-OE2 3.12Å; N1024-E1058 PolarHBondContact ND2-OE1 2.73Å; N1026-E1058 PolarHBondContact ND2-OE2 3.21Å; S1056-E1058 PolarHBondContact O-N 3.3Å; E1058-L1060 HydrophobicContact CG-CD2 4.03Å; E1058-L1060 HydrophobicContact CG-CG 4.24Å; E1058-L1104 HydrophobicContact CB-CD2 3.58Å; E1058-L1104 HydrophobicContact CG-CD2 4.18Å; E1058-K1105 PolarHBondContact O-N 3.38Å
1059	D	80.6	Confident	72.3	Confident	75 Å²	75	92.2 Å²	92.2	40%	0.401	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	104.5	-179.9	-164.4	-20.1	0	0	0	110.8	S1061 K1105	D1059-S1061 WeakPolarHBondContact OD1-CB 3.46Å; D1059-S1061 PolarHBondContact OD1-N 2.77Å; D1059-S1061 PolarHBondContact OD1-OG 3.48Å; D1059-K1105 HydrophobicContact CB-CB 4.48Å; D1059-K1105 WeakPolarHBondContact OD2-CD 3.28Å; D1059-K1105 IonicContact OD2-NZ 3.88Å; D1059-K1105 PolarHBondContact OD2-NZ 3.12Å; D1059-K1105 VanDerWaalsContact OD2-NZ 3.12Å
1060	L	82.1	Confident	73.6	Confident	4 Å²	4	87.6 Å²	87.6	2%	0.021	47%	0.465	C	S	.	.			trans	-99.6	8.7	178.8	-64.5	179.9	0	0	0	112.5	T1022 E1058 R1062 F1063 L1066 L1104 K1105 F1106 L1109	T1022-L1060 HydrophobicContact CG2-CD1 4.07Å; E1058-L1060 HydrophobicContact CG-CD2 4.03Å; E1058-L1060 HydrophobicContact CG-CG 4.24Å; L1060-R1062 PolarHBondContact O-N 2.84Å; L1060-F1063 HydrophobicContact CD2-CD2 4.19Å; L1060-F1063 PolarHBondContact O-N 3.42Å; L1060-L1066 HydrophobicContact CD1-CD1 4.39Å; L1060-L1104 HydrophobicContact CD1-CB 4.4Å; L1060-L1104 HydrophobicContact CD1-CD1 3.85Å; L1060-L1104 HydrophobicContact CD1-CD2 4.05Å; L1060-L1104 HydrophobicContact CD1-CG 4.32Å; L1060-L1104 HydrophobicContact CG-CD2 4.38Å; L1060-K1105 CarbonylContact C-O 3.56Å; L1060-K1105 WeakPolarHBondContact CA-O 3.47Å; L1060-K1105 PolarHBondContact N-O 2.8Å; L1060-F1106 HydrophobicContact CB-CB 4.26Å; L1060-L1109 HydrophobicContact CD1-CD2 4.45Å
1061	S	77	Confident	75	Confident	72 Å²	72	83.4 Å²	83.4	50%	0.503	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.7	-177.5	60	0	0	0	0	114.5	D1059 K1105	D1059-S1061 WeakPolarHBondContact OD1-CB 3.46Å; D1059-S1061 PolarHBondContact OD1-N 2.77Å; D1059-S1061 PolarHBondContact OD1-OG 3.48Å; S1061-K1105 PolarHBondContact N-O 3.49Å
1062	R	74.2	Confident	76.5	Confident	231 Å²	231	82.7 Å²	82.7	87%	0.872	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.6	175.8	-62.4	-174.6	-179.3	-174.7	0.6	113.9	L1060	L1060-R1062 PolarHBondContact O-N 2.84Å
1063	F	75.7	Confident	78	Confident	99 Å²	99	75.9 Å²	75.9	43%	0.434	39%	0.393	S	S	.	.			trans	-112.4	103.8	-177.7	-61.4	-76.1	0	0	0	109.8	L1060 R1065 L1066	L1060-F1063 HydrophobicContact CD2-CD2 4.19Å; L1060-F1063 PolarHBondContact O-N 3.42Å; F1063-R1065 VanDerWaalsContact C-N 3.34Å; F1063-L1066 HydrophobicContact CB-CD2 4.15Å
1064	S	74.6	Confident	79.3	Confident	80 Å²	80	74.4 Å²	74.4	56%	0.559	38%	0.383	S	S	*	.	S	Bend	trans	-77.3	-22.5	173.9	54.5	0	0	0	0	112.9	E1110	S1064-E1110 PolarHBondContact O-N 2.82Å
1065	R	84.7	Confident	80.6	Confident	135 Å²	135	67.6 Å²	67.6	51%	0.509	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.2	-175.4	-73.4	173.6	175.8	-179.1	1.8	111	F1063 N1070 E1110 I1112	F1063-R1065 VanDerWaalsContact C-N 3.34Å; R1065-N1070 PolarHBondContact O-ND2 3.43Å; R1065-E1110 CarbonylContact C-O 3.59Å; R1065-E1110 WeakPolarHBondContact CA-O 3.42Å; R1065-E1110 HydrophobicContact CG-CB 3.97Å; R1065-E1110 VanDerWaalsContact CG-OE2 3.28Å; R1065-E1110 WeakPolarHBondContact CG-OE2 3.26Å; R1065-E1110 IonicContact CZ-OE2 2.76Å; R1065-E1110 IonicContact NE-OE2 3.83Å; R1065-E1110 PolarHBondContact NE-OE2 2.93Å; R1065-E1110 IonicContact NH2-OE2 2.75Å; R1065-E1110 PolarHBondContact NH2-OE2 2.95Å; R1065-I1112 HydrophobicContact CB-CD1 4.23Å; R1065-I1112 HydrophobicContact CG-CD1 4.24Å
1066	L	86.2	Confident	81.6	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.016	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.9	172.6	-66.9	-172.6	0	0	0	109.9	L1028 L1060 F1063 N1070 T1071 L1109 E1110 L1111 I1112	L1028-L1066 HydrophobicContact CD1-CD1 3.57Å; L1060-L1066 HydrophobicContact CD1-CD1 4.39Å; F1063-L1066 HydrophobicContact CB-CD2 4.15Å; L1066-N1070 VanDerWaalsContact CA-OD1 3.31Å; L1066-N1070 WeakPolarHBondContact CA-OD1 3.38Å; L1066-T1071 HydrophobicContact CB-CG2 3.61Å; L1066-T1071 HydrophobicContact CD1-CG2 3.91Å; L1066-T1071 HydrophobicContact CD2-CG2 3.91Å; L1066-T1071 HydrophobicContact CG-CG2 4.01Å; L1066-L1109 HydrophobicContact CD1-CD1 3.73Å; L1066-L1109 HydrophobicContact CD1-CD2 3.86Å; L1066-L1109 HydrophobicContact CD1-CG 4.03Å; L1066-L1109 HydrophobicContact CD2-CD1 4.49Å; L1066-L1109 HydrophobicContact CG-CD1 3.7Å; L1066-L1109 HydrophobicContact CG-CG 4.28Å; L1066-E1110 PolarHBondContact N-O 3.34Å; L1066-L1111 HydrophobicContact CB-CD2 3.7Å; L1066-L1111 HydrophobicContact CD1-CD2 3.67Å; L1066-L1111 HydrophobicContact CG-CD2 4.13Å; L1066-I1112 PolarHBondContact O-N 2.89Å
1067	N	84.1	Confident	82.3	Confident	56 Å²	56	68 Å²	68	30%	0.299	35%	0.354	S	S	.	.			trans	-144.5	-172.8	-178.6	68.7	15.9	0	0	0	109.7	S1069 N1070 T1071 I1112	N1067-S1069 PolarHBondContact O-N 2.89Å; N1067-S1069 VanDerWaalsContact O-N 3.1Å; N1067-S1069 WeakPolarHBondContact OD1-CB 3.44Å; N1067-S1069 PolarHBondContact OD1-N 2.85Å; N1067-S1069 PolarHBondContact OD1-OG 3.42Å; N1067-N1070 PolarHBondContact N-OD1 2.81Å; N1067-N1070 PolarHBondContact O-N 2.84Å; N1067-N1070 PolarHBondContact O-OD1 3.43Å; N1067-N1070 PolarHBondContact OD1-OD1 3.39Å; N1067-T1071 PolarHBondContact O-N 2.78Å; N1067-T1071 VanDerWaalsContact O-N 3.09Å; N1067-T1071 PolarHBondContact O-OG1 3.33Å; N1067-I1112 HydrophobicContact CB-CB 4.22Å
1068	Q	79.8	Confident	82.8	Confident	110 Å²	110	62.4 Å²	62.4	51%	0.514	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-33.5	179	-171.6	-172.7	22.7	0	0	114.7	E1017 N1070 T1073	E1017-Q1068 PolarHBondContact OE1-NE2 2.87Å; E1017-Q1068 WeakPolarHBondContact OE2-CB 3.19Å; E1017-Q1068 WeakPolarHBondContact OE2-CG 3.38Å; E1017-Q1068 PolarHBondContact OE2-NE2 3.4Å; E1017-Q1068 PolarHBondContact OE2-OE1 2.87Å; Q1068-N1070 VanDerWaalsContact C-N 3.33Å; Q1068-N1070 PolarHBondContact O-N 2.92Å; Q1068-T1073 HydrophobicContact CB-CG2 4.22Å; Q1068-T1073 HydrophobicContact CG-CG2 4.35Å
1069	S	83	Confident	83.2	Confident	85 Å²	85	63.7 Å²	63.7	59%	0.594	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.1	-174.6	70.8	0	0	0	0	113.9	K1023 N1067	K1023-S1069 PolarHBondContact NZ-O 3.37Å; N1067-S1069 PolarHBondContact O-N 2.89Å; N1067-S1069 VanDerWaalsContact O-N 3.1Å; N1067-S1069 WeakPolarHBondContact OD1-CB 3.44Å; N1067-S1069 PolarHBondContact OD1-N 2.85Å; N1067-S1069 PolarHBondContact OD1-OG 3.42Å
1070	N	82.5	Confident	83.6	Confident	30 Å²	30	60.1 Å²	60.1	16%	0.16	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	5.4	-171.9	66	3	0	0	0	114.7	R1065 L1066 N1067 Q1068	R1065-N1070 PolarHBondContact O-ND2 3.43Å; L1066-N1070 VanDerWaalsContact CA-OD1 3.31Å; L1066-N1070 WeakPolarHBondContact CA-OD1 3.38Å; N1067-N1070 PolarHBondContact N-OD1 2.81Å; N1067-N1070 PolarHBondContact O-N 2.84Å; N1067-N1070 PolarHBondContact O-OD1 3.43Å; N1067-N1070 PolarHBondContact OD1-OD1 3.39Å; Q1068-N1070 VanDerWaalsContact C-N 3.33Å; Q1068-N1070 PolarHBondContact O-N 2.92Å
1071	T	84.7	Confident	83.9	Confident	8 Å²	8	61.9 Å²	61.9	5%	0.049	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	162.5	175	56.1	0	0	0	0	112.2	P1019 M1021 L1066 N1067	P1019-T1071 HydrophobicContact CB-CG2 4.25Å; P1019-T1071 WeakPolarHBondContact CB-OG1 3.35Å; M1021-T1071 VanDerWaalsContact O-CB 3.24Å; M1021-T1071 WeakPolarHBondContact O-CB 3.41Å; L1066-T1071 HydrophobicContact CB-CG2 3.61Å; L1066-T1071 HydrophobicContact CD1-CG2 3.91Å; L1066-T1071 HydrophobicContact CD2-CG2 3.91Å; L1066-T1071 HydrophobicContact CG-CG2 4.01Å; N1067-T1071 PolarHBondContact O-N 2.78Å; N1067-T1071 VanDerWaalsContact O-N 3.09Å; N1067-T1071 PolarHBondContact O-OG1 3.33Å
1072	L	85.1	Confident	84.4	Confident	77 Å²	77	58.7 Å²	58.7	40%	0.403	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	112.5	164.2	-68.3	172.4	0	0	0	107.4	E1020 M1021	E1020-L1072 PolarHBondContact N-O 3.39Å; M1021-L1072 HydrophobicContact CB-CB 3.9Å; M1021-L1072 HydrophobicContact CB-CD1 4.34Å; M1021-L1072 PolarHBondContact N-O 2.63Å; M1021-L1072 VanDerWaalsContact N-O 3.08Å; M1021-L1072 PolarHBondContact O-N 2.87Å
1073	T	85.5	Confident	85	Confident	32 Å²	32	50.2 Å²	50.2	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	147.8	-178.6	54	0	0	0	0	111.6	E1017 I1018 Q1068 P1075	E1017-T1073 HydrophobicContact CB-CG2 4.46Å; I1018-T1073 CarbonylContact O-C 3.52Å; I1018-T1073 WeakPolarHBondContact O-CA 3.39Å; I1018-T1073 WeakPolarHBondContact O-CB 3.28Å; Q1068-T1073 HydrophobicContact CB-CG2 4.22Å; Q1068-T1073 HydrophobicContact CG-CG2 4.35Å; T1073-P1075 WeakPolarHBondContact O-CD 3.33Å
1074	L	86.4	Confident	85.5	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110.3	166.1	-175.4	67.5	0	0	0	108.2	I1018 E1020 I1031 P1047	I1018-L1074 PolarHBondContact N-O 2.98Å; I1018-L1074 VanDerWaalsContact N-O 3.13Å; I1018-L1074 PolarHBondContact O-N 3.22Å; E1020-L1074 HydrophobicContact CB-CB 4.08Å; I1031-L1074 HydrophobicContact CB-CD2 4.36Å; I1031-L1074 HydrophobicContact CG1-CD2 3.86Å; P1047-L1074 HydrophobicContact CB-CD1 3.84Å; P1047-L1074 HydrophobicContact CB-CD2 3.85Å; P1047-L1074 HydrophobicContact CB-CG 4.11Å
1075	P	86.6	Confident	86.1	Confident	73 Å²	73	48.2 Å²	48.2	47%	0.474	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.6	177.8	32.2	-32.6	0	0	0	110.4	T1073	T1073-P1075 WeakPolarHBondContact O-CD 3.33Å
1076	I	87.4	Confident	86.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.6	167.9	-58.3	173.7	0	0	0	107	I1016 I1018 I1092	I1016-I1076 HydrophobicContact CB-CB 4.23Å; I1016-I1076 PolarHBondContact N-O 3.33Å; I1016-I1076 PolarHBondContact O-N 3.47Å; I1018-I1076 HydrophobicContact CD1-CD1 3.73Å; I1076-I1092 HydrophobicContact CD1-CD1 4.1Å; I1076-I1092 HydrophobicContact CD1-CG1 4.39Å
1077	Q	88.3	Confident	86.4	Confident	107 Å²	107	51.8 Å²	51.8	50%	0.5	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.6	177.5	-64.5	-174.2	-15.7	0	0	109.3	C1044 L1045	C1044-Q1077 WeakPolarHBondContact CA-O 3.49Å; L1045-Q1077 PolarHBondContact N-O 2.89Å
1078	C	88.3	Confident	86.6	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.02	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.3	179.2	-68.3	0	0	0	0	110.1	L1014 R1043 C1044 V1080	L1014-C1078 HydrophobicContact CB-CB 4.09Å; L1014-C1078 HydrophobicContact CD2-CB 4.39Å; L1014-C1078 PolarHBondContact N-O 3.39Å; L1014-C1078 PolarHBondContact O-N 3.34Å; R1043-C1078 CarbonylContact O-C 3.28Å; R1043-C1078 WeakPolarHBondContact O-CA 3.3Å; C1044-C1078 HydrophobicContact CB-CB 4.12Å; C1044-C1078 WeakPolarHBondContact CB-SG 3.16Å; C1044-C1078 WeakPolarHBondContact SG-CB 3.17Å; C1044-C1078 CovalentContact SG-SG 2.04Å; C1044-C1078 PolarHBondContact SG-SG 3.49Å; C1078-V1080 HydrophobicContact CB-CG2 3.89Å
1079	T	89.9	Confident	87	Confident	56 Å²	56	44.2 Å²	44.2	34%	0.344	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	109.4	163.6	-51.8	0	0	0	0	107.6	D1011 T1042 R1043	D1011-T1079 HydrophobicContact CB-CG2 4.31Å; T1042-T1079 CarbonylContact C-O 3.55Å; T1042-T1079 VanDerWaalsContact CA-O 3.29Å; T1042-T1079 WeakPolarHBondContact CA-O 3.28Å; R1043-T1079 PolarHBondContact N-O 3.12Å; R1043-T1079 PolarHBondContact O-N 2.84Å
1080	V	88.6	Confident	87.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.3	-171.1	-174.4	0	0	0	0	110.3	I1001 L1012 L1014 T1042 C1078 I1082 I1088	I1001-V1080 HydrophobicContact CD1-CG1 4.5Å; L1012-V1080 HydrophobicContact CB-CB 4.33Å; L1012-V1080 WeakPolarHBondContact CB-O 3.21Å; L1012-V1080 PolarHBondContact N-O 3.19Å; L1012-V1080 PolarHBondContact O-N 2.73Å; L1014-V1080 HydrophobicContact CB-CG2 3.8Å; L1014-V1080 HydrophobicContact CD2-CG2 4.22Å; T1042-V1080 HydrophobicContact CG2-CG2 4.28Å; C1078-V1080 HydrophobicContact CB-CG2 3.89Å; V1080-I1082 HydrophobicContact CG1-CD1 3.93Å; V1080-I1082 HydrophobicContact CG1-CG1 3.61Å; V1080-I1088 HydrophobicContact CG1-CD1 4.16Å; V1080-I1088 HydrophobicContact CG1-CG2 3.73Å
1081	N	88.9	Confident	87.4	Confident	42 Å²	42	43.3 Å²	43.3	23%	0.225	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.8	174	-72.8	-42.9	0	0	0	108.9	R1010 D1011 G1041 T1042	R1010-N1081 WeakPolarHBondContact CA-OD1 3.41Å; R1010-N1081 WeakPolarHBondContact CB-OD1 3.26Å; D1011-N1081 PolarHBondContact N-OD1 2.8Å; G1041-N1081 PolarHBondContact O-ND2 2.68Å; T1042-N1081 PolarHBondContact OG1-N 2.84Å
1082	I	87.4	Confident	87.6	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.2	-174	-45.6	-179.8	0	0	0	109.6	I1001 N1003 P1008 V1009 L1012 V1080 I1088	I1001-I1082 HydrophobicContact CB-CD1 3.63Å; I1001-I1082 HydrophobicContact CD1-CD1 4.35Å; I1001-I1082 HydrophobicContact CG2-CD1 3.24Å; N1003-I1082 HydrophobicContact CB-CB 4.36Å; N1003-I1082 HydrophobicContact CB-CG2 3.64Å; N1003-I1082 PolarHBondContact ND2-O 2.81Å; P1008-I1082 CarbonylContact C-O 3.26Å; P1008-I1082 VanDerWaalsContact CA-O 3.26Å; P1008-I1082 WeakPolarHBondContact CA-O 3.28Å; P1008-I1082 WeakPolarHBondContact CB-O 3.29Å; V1009-I1082 PolarHBondContact N-O 2.85Å; V1009-I1082 PolarHBondContact O-N 2.91Å; L1012-I1082 HydrophobicContact CD2-CD1 4.04Å; V1080-I1082 HydrophobicContact CG1-CD1 3.93Å; V1080-I1082 HydrophobicContact CG1-CG1 3.61Å; I1082-I1088 HydrophobicContact CD1-CG2 3.84Å; I1082-I1088 HydrophobicContact CG1-CG2 3.92Å
1083	A	87.7	Confident	87.6	Confident	53 Å²	53	41 Å²	41	44%	0.438	21%	0.212	S	C	.	.			trans	-63.3	156.1	174.3	0	0	0	0	0	111.7	N1003 H1085 R1086	N1003-A1083 WeakPolarHBondContact CB-O 3.44Å; N1003-A1083 PolarHBondContact ND2-O 3.07Å; A1083-H1085 PolarHBondContact O-N 2.84Å; A1083-R1086 HydrophobicContact CB-CB 4.15Å; A1083-R1086 HydrophobicContact CB-CG 3.9Å; A1083-R1086 PolarHBondContact O-N 3.25Å
1084	S	86.3	Confident	87.7	Confident	18 Å²	18	39.5 Å²	39.5	13%	0.126	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	136.8	175	168.6	0	0	0	0	111.1	G1005 Y1006 R1086	G1005-S1084 WeakPolarHBondContact O-CB 3.22Å; G1005-S1084 PolarHBondContact O-OG 3.03Å; Y1006-S1084 WeakPolarHBondContact CA-OG 3.16Å; Y1006-S1084 VanDerWaalsContact O-CB 3.23Å; Y1006-S1084 WeakPolarHBondContact O-CB 3.19Å; Y1006-S1084 PolarHBondContact O-OG 3.01Å; S1084-R1086 PolarHBondContact O-N 3.2Å
1085	H	86.2	Confident	87.6	Confident	118 Å²	118	39.5 Å²	39.5	55%	0.546	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	26.3	179.9	-51	-56.7	0	0	0	114.7	N1003 L1004 A1083	N1003-H1085 WeakPolarHBondContact O-CA 3.32Å; N1003-H1085 PolarHBondContact O-N 3.21Å; N1003-H1085 VanDerWaalsContact O-N 3.08Å; L1004-H1085 PolarHBondContact O-CE1 2.76Å; L1004-H1085 PolarHBondContact O-ND1 3.27Å; A1083-H1085 PolarHBondContact O-N 2.84Å
1086	R	88.8	Confident	87.6	Confident	141 Å²	141	36 Å²	36	53%	0.532	18%	0.181	S	C	.	.			trans	-119.3	161	176.5	-69.5	-67.7	-168.9	148.1	4.2	110.9	N1003 A1083 S1084	N1003-R1086 PolarHBondContact N-O 2.86Å; A1083-R1086 HydrophobicContact CB-CB 4.15Å; A1083-R1086 HydrophobicContact CB-CG 3.9Å; A1083-R1086 PolarHBondContact O-N 3.25Å; S1084-R1086 PolarHBondContact O-N 3.2Å
1087	D	88.1	Confident	87.4	Confident	72 Å²	72	37.7 Å²	37.7	39%	0.385	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.5	174.2	66.2	-50.3	0	0	0	111.6	Q1000 I1001 Q1002	Q1000-D1087 PolarHBondContact NE2-OD2 3.33Å; I1001-D1087 CarbonylContact O-C 3.59Å; I1001-D1087 VanDerWaalsContact O-CA 3.25Å; I1001-D1087 WeakPolarHBondContact O-CA 3.45Å; Q1002-D1087 HydrophobicContact CB-CB 3.97Å; Q1002-D1087 HydrophobicContact CG-CB 4.12Å
1088	I	88.6	Confident	87	Confident	7 Å²	7	34.2 Å²	34.2	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.1	174.5	-166.7	169.7	0	0	0	109.6	Q1000 I1001 I1036 T1042 V1080 I1082	Q1000-I1088 WeakPolarHBondContact CA-O 3.26Å; I1001-I1088 HydrophobicContact CB-CG2 4.16Å; I1001-I1088 PolarHBondContact N-O 2.88Å; I1001-I1088 PolarHBondContact O-N 2.87Å; I1036-I1088 HydrophobicContact CG2-CD1 3.77Å; I1036-I1088 HydrophobicContact CG2-CG1 4.08Å; T1042-I1088 HydrophobicContact CG2-CD1 4.11Å; V1080-I1088 HydrophobicContact CG1-CD1 4.16Å; V1080-I1088 HydrophobicContact CG1-CG2 3.73Å; I1082-I1088 HydrophobicContact CD1-CG2 3.84Å; I1082-I1088 HydrophobicContact CG1-CG2 3.92Å
1089	G	88	Confident	86.4	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.6	172.7	0	0	0	0	0	111.6	F999 D1037	F999-G1089 WeakPolarHBondContact O-CA 3.33Å; D1037-G1089 PolarHBondContact N-O 2.61Å; D1037-G1089 VanDerWaalsContact OD2-CA 3.28Å; D1037-G1089 WeakPolarHBondContact OD2-CA 3.31Å; D1037-G1089 PolarHBondContact OD2-N 2.9Å
1090	V	88.1	Confident	85.9	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.5	165.3	-179.1	0	0	0	0	107.9	T998 F999 L1014 I1016	T998-V1090 WeakPolarHBondContact CA-O 2.93Å; F999-V1090 PolarHBondContact N-O 2.84Å; F999-V1090 PolarHBondContact O-N 3.04Å; L1014-V1090 HydrophobicContact CD2-CB 4.35Å; L1014-V1090 HydrophobicContact CD2-CG2 3.75Å; I1016-V1090 HydrophobicContact CD1-CB 4.5Å; I1016-V1090 HydrophobicContact CD1-CG1 3.92Å
1091	R	87.7	Confident	85.6	Confident	94 Å²	94	33.7 Å²	33.7	36%	0.355	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.2	-177.8	-168.2	177.4	-158.7	-170.4	3.7	110.5	D971 F997 F1034 Y1035	D971-R1091 IonicContact OD2-NE 2.75Å; D971-R1091 IonicContact OD2-NH2 3.22Å; F997-R1091 CarbonylContact O-C 3.59Å; F997-R1091 VanDerWaalsContact O-CA 3.3Å; F997-R1091 WeakPolarHBondContact O-CA 3.48Å; F1034-R1091 CarbonylContact C-O 3.58Å; F1034-R1091 VanDerWaalsContact CA-O 3.23Å; F1034-R1091 WeakPolarHBondContact CA-O 3.47Å; Y1035-R1091 PolarHBondContact N-O 2.78Å; Y1035-R1091 PolarHBondContact O-N 3.16Å
1092	I	87.5	Confident	85.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.6	-178.5	-56	165.9	0	0	0	107.7	N996 F997 F999 I1016 I1018 I1031 I1076	N996-I1092 WeakPolarHBondContact CA-O 3.4Å; F997-I1092 HydrophobicContact CB-CB 4.34Å; F997-I1092 PolarHBondContact N-O 3.43Å; F997-I1092 PolarHBondContact O-N 2.75Å; F999-I1092 HydrophobicContact CD2-CD1 4.44Å; F999-I1092 HydrophobicContact CE2-CD1 4.33Å; I1016-I1092 HydrophobicContact CD1-CD1 3.95Å; I1016-I1092 HydrophobicContact CG2-CD1 3.88Å; I1018-I1092 HydrophobicContact CD1-CD1 4.12Å; I1018-I1092 HydrophobicContact CD1-CG2 3.83Å; I1031-I1092 HydrophobicContact CD1-CG2 4.28Å; I1031-I1092 HydrophobicContact CG2-CG2 4.15Å; I1076-I1092 HydrophobicContact CD1-CD1 4.1Å; I1076-I1092 HydrophobicContact CD1-CG1 4.39Å
1093	T	86.2	Confident	84.6	Confident	36 Å²	36	36.1 Å²	36.1	22%	0.221	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.9	-178.4	64.9	0	0	0	0	110.3	N996 F1032 D1033	N996-T1093 WeakPolarHBondContact OD1-CG2 3.19Å; F1032-T1093 PolarHBondContact N-O 3.41Å; D1033-T1093 PolarHBondContact N-O 3.21Å; D1033-T1093 PolarHBondContact O-N 2.96Å; D1033-T1093 PolarHBondContact O-OG1 3.49Å
1094	G	86.1	Confident	84.4	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	-175.5	-179.8	0	0	0	0	0	112	P994 F995 Q1030	P994-G1094 CarbonylContact C-O 3.6Å; P994-G1094 WeakPolarHBondContact CA-O 3.33Å; F995-G1094 WeakPolarHBondContact CD1-O 3.18Å; F995-G1094 VanDerWaalsContact CE1-C 3.45Å; F995-G1094 PolarHBondContact N-O 2.96Å; F995-G1094 PolarHBondContact O-N 2.68Å; F995-G1094 VanDerWaalsContact O-N 3.09Å; Q1030-G1094 CarbonylContact O-C 3.52Å; Q1030-G1094 WeakPolarHBondContact O-CA 3.39Å
1095	A	85.8	Confident	84.2	Confident	1 Å²	1	39 Å²	39	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.2	175.7	0	0	0	0	0	111.4	I991 G992 Q1030 F1032	I991-A1095 HydrophobicContact CG2-CB 3.4Å; G992-A1095 WeakPolarHBondContact O-CB 3.38Å; Q1030-A1095 PolarHBondContact N-O 2.9Å; Q1030-A1095 PolarHBondContact O-N 3.1Å; F1032-A1095 HydrophobicContact CE2-CB 3.57Å; F1032-A1095 HydrophobicContact CZ-CB 3.64Å
1096	L	86.1	Confident	84.1	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	143.7	173.6	-73.6	80.4	0	0	0	110.4	Y977 G992 P993 F995 L1029 I1098 L1101 L1138 I1140	Y977-L1096 HydrophobicContact CD1-CD1 3.99Å; Y977-L1096 HydrophobicContact CD1-CD2 4.3Å; Y977-L1096 HydrophobicContact CD2-CD1 4.49Å; Y977-L1096 HydrophobicContact CE1-CD1 3.88Å; Y977-L1096 HydrophobicContact CE2-CD1 4.47Å; Y977-L1096 HydrophobicContact CG-CD1 4.27Å; Y977-L1096 HydrophobicContact CG-CD2 4.05Å; G992-L1096 WeakPolarHBondContact CA-O 3.46Å; G992-L1096 PolarHBondContact N-O 3Å; P993-L1096 WeakPolarHBondContact O-CD1 3.35Å; P993-L1096 PolarHBondContact O-N 2.9Å; F995-L1096 HydrophobicContact CD1-CD1 3.98Å; L1029-L1096 HydrophobicContact CD2-CG 4.07Å; L1096-I1098 HydrophobicContact CB-CD1 4.43Å; L1096-I1098 PolarHBondContact O-N 2.92Å; L1096-L1101 HydrophobicContact CB-CD1 4.05Å; L1096-L1101 HydrophobicContact CD2-CD1 4.01Å; L1096-L1101 HydrophobicContact CG-CD1 4.49Å; L1096-L1138 HydrophobicContact CD1-CD2 4.28Å; L1096-I1140 HydrophobicContact CD2-CD1 3.6Å; L1096-I1140 HydrophobicContact CD2-CG1 3.79Å
1097	R	83.4	Confident	83.7	Confident	34 Å²	34	34.7 Å²	34.7	13%	0.128	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	93.4	173.9	-78	-66.8	-62.6	-88.6	-1.7	111.1	Q1027 L1028 Q1030 D1099 T1100 L1101	Q1027-R1097 HydrophobicContact CG-CG 4.4Å; Q1027-R1097 VanDerWaalsContact O-CB 3.29Å; Q1027-R1097 WeakPolarHBondContact O-CB 3.2Å; L1028-R1097 PolarHBondContact O-N 3.37Å; Q1030-R1097 HydrophobicContact CB-CG 4.1Å; R1097-D1099 IonicContact CZ-OD1 3.85Å; R1097-D1099 IonicContact CZ-OD2 3.36Å; R1097-D1099 IonicContact NE-OD1 3.29Å; R1097-D1099 PolarHBondContact NE-OD1 2.82Å; R1097-D1099 IonicContact NE-OD2 2.64Å; R1097-D1099 PolarHBondContact NE-OD2 2.91Å; R1097-D1099 IonicContact NH2-OD1 2.78Å; R1097-D1099 IonicContact NH2-OD2 3.06Å; R1097-D1099 PolarHBondContact NH2-OD2 2.92Å; R1097-T1100 PolarHBondContact O-N 2.77Å; R1097-L1101 WeakPolarHBondContact O-CD1 3.4Å; R1097-L1101 VanDerWaalsContact O-CG 3.25Å; R1097-L1101 WeakPolarHBondContact O-CG 3.13Å; R1097-L1101 PolarHBondContact O-N 2.85Å
1098	I	78.9	Confident	83.6	Confident	35 Å²	35	33.6 Å²	33.6	18%	0.179	16%	0.162	C	C	.	.	H	α-helix	trans	-68	-39.3	-171.5	-65.4	-65.8	0	0	0	111.6	I979 L1096 T1100 L1101 H1102	I979-I1098 HydrophobicContact CG1-CD1 4.3Å; L1096-I1098 HydrophobicContact CB-CD1 4.43Å; L1096-I1098 PolarHBondContact O-N 2.92Å; I1098-T1100 VanDerWaalsContact C-N 3.27Å; I1098-T1100 PolarHBondContact O-N 2.82Å; I1098-L1101 HydrophobicContact CD1-CD1 4.39Å; I1098-L1101 PolarHBondContact O-N 3.05Å; I1098-H1102 VanDerWaalsContact CG2-CD2 3.43Å; I1098-H1102 WeakPolarHBondContact CG2-CD2 3.44Å; I1098-H1102 PolarHBondContact O-CD2 2.76Å; I1098-H1102 PolarHBondContact O-N 2.82Å
1099	D	75.4	Confident	83.5	Confident	47 Å²	47	33.2 Å²	33.2	25%	0.251	16%	0.16	S	C	.	.	H	α-helix	trans	-51.1	-45.6	173.6	62.7	-29.3	0	0	0	112.7	R1097 A1103	R1097-D1099 IonicContact CZ-OD1 3.85Å; R1097-D1099 IonicContact CZ-OD2 3.36Å; R1097-D1099 IonicContact NE-OD1 3.29Å; R1097-D1099 PolarHBondContact NE-OD1 2.82Å; R1097-D1099 IonicContact NE-OD2 2.64Å; R1097-D1099 PolarHBondContact NE-OD2 2.91Å; R1097-D1099 IonicContact NH2-OD1 2.78Å; R1097-D1099 IonicContact NH2-OD2 3.06Å; R1097-D1099 PolarHBondContact NH2-OD2 2.92Å; D1099-A1103 PolarHBondContact O-N 2.76Å
1100	T	79.6	Confident	83.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-75.8	-42.5	179.7	-56	0	0	0	0	111.4	N1026 Q1027 R1097 I1098 H1102 A1103 L1104	N1026-T1100 HydrophobicContact CB-CG2 3.5Å; Q1027-T1100 WeakPolarHBondContact O-CB 3.13Å; Q1027-T1100 VanDerWaalsContact O-CG2 3.27Å; Q1027-T1100 WeakPolarHBondContact O-CG2 3.46Å; Q1027-T1100 PolarHBondContact O-OG1 2.88Å; R1097-T1100 PolarHBondContact O-N 2.77Å; I1098-T1100 VanDerWaalsContact C-N 3.27Å; I1098-T1100 PolarHBondContact O-N 2.82Å; T1100-H1102 PolarHBondContact O-N 2.88Å; T1100-A1103 WeakPolarHBondContact O-CB 3.26Å; T1100-A1103 PolarHBondContact O-N 2.91Å; T1100-L1104 HydrophobicContact CG2-CD1 4.33Å; T1100-L1104 WeakPolarHBondContact O-CG 3.32Å; T1100-L1104 PolarHBondContact O-N 3.34Å
1101	L	83	Confident	83.6	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-26.1	177.3	-66.5	164.1	0	0	0	112.8	I979 L1028 L1096 R1097 I1098 L1104 F1106 L1109 I1140 K1142	I979-L1101 HydrophobicContact CD1-CB 3.54Å; I979-L1101 HydrophobicContact CD1-CD1 4.01Å; I979-L1101 HydrophobicContact CD1-CG 4.28Å; L1028-L1101 HydrophobicContact CD2-CD2 3.87Å; L1096-L1101 HydrophobicContact CB-CD1 4.05Å; L1096-L1101 HydrophobicContact CD2-CD1 4.01Å; L1096-L1101 HydrophobicContact CG-CD1 4.49Å; R1097-L1101 WeakPolarHBondContact O-CD1 3.4Å; R1097-L1101 VanDerWaalsContact O-CG 3.25Å; R1097-L1101 WeakPolarHBondContact O-CG 3.13Å; R1097-L1101 PolarHBondContact O-N 2.85Å; I1098-L1101 HydrophobicContact CD1-CD1 4.39Å; I1098-L1101 PolarHBondContact O-N 3.05Å; L1101-L1104 HydrophobicContact CD2-CD1 4.4Å; L1101-F1106 HydrophobicContact CB-CZ 4.46Å; L1101-F1106 HydrophobicContact CD2-CE1 4.16Å; L1101-F1106 HydrophobicContact CD2-CZ 4.05Å; L1101-F1106 WeakPolarHBondContact O-CE1 3.25Å; L1101-L1109 HydrophobicContact CD2-CD2 4.49Å; L1101-I1140 HydrophobicContact CD1-CD1 4.26Å; L1101-I1140 HydrophobicContact CD2-CD1 4.2Å; L1101-K1142 PolarHBondContact O-NZ 2.84Å
1102	H	77.8	Confident	83.7	Confident	61 Å²	61	31.8 Å²	31.8	28%	0.282	16%	0.158	S	C	.	.	H	α-helix	trans	-70.1	-39.5	170.3	-88	-73.2	0	0	0	113.1	I979 K980 I1098 T1100 L1104 K1142	I979-H1102 VanDerWaalsContact CG2-CE1 3.46Å; I979-H1102 WeakPolarHBondContact CG2-CE1 3.42Å; I979-H1102 WeakPolarHBondContact CG2-NE2 3.27Å; K980-H1102 PolarHBondContact O-CE1 3.38Å; K980-H1102 VanDerWaalsContact O-CE1 3.3Å; I1098-H1102 VanDerWaalsContact CG2-CD2 3.43Å; I1098-H1102 WeakPolarHBondContact CG2-CD2 3.44Å; I1098-H1102 PolarHBondContact O-CD2 2.76Å; I1098-H1102 PolarHBondContact O-N 2.82Å; T1100-H1102 PolarHBondContact O-N 2.88Å; H1102-L1104 PolarHBondContact O-N 2.72Å; H1102-K1142 PolarHBondContact O-NZ 3.5Å
1103	A	76.7	Confident	83.9	Confident	38 Å²	38	31.8 Å²	31.8	31%	0.314	16%	0.158	S	C	.	.	H	α-helix	trans	-68	-22.9	177.1	0	0	0	0	0	113.1	D1099 T1100	D1099-A1103 PolarHBondContact O-N 2.76Å; T1100-A1103 WeakPolarHBondContact O-CB 3.26Å; T1100-A1103 PolarHBondContact O-N 2.91Å
1104	L	83.4	Confident	84.1	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	143.2	180	-63.3	172.4	0	0	0	112.9	T1022 N1026 L1028 E1058 L1060 T1100 L1101 H1102 F1106 K1142	T1022-L1104 HydrophobicContact CG2-CD1 4.39Å; N1026-L1104 HydrophobicContact CB-CD2 4.2Å; L1028-L1104 HydrophobicContact CD2-CD1 3.34Å; E1058-L1104 HydrophobicContact CB-CD2 3.58Å; E1058-L1104 HydrophobicContact CG-CD2 4.18Å; L1060-L1104 HydrophobicContact CD1-CB 4.4Å; L1060-L1104 HydrophobicContact CD1-CD1 3.85Å; L1060-L1104 HydrophobicContact CD1-CD2 4.05Å; L1060-L1104 HydrophobicContact CD1-CG 4.32Å; L1060-L1104 HydrophobicContact CG-CD2 4.38Å; T1100-L1104 HydrophobicContact CG2-CD1 4.33Å; T1100-L1104 WeakPolarHBondContact O-CG 3.32Å; T1100-L1104 PolarHBondContact O-N 3.34Å; L1101-L1104 HydrophobicContact CD2-CD1 4.4Å; H1102-L1104 PolarHBondContact O-N 2.72Å; L1104-F1106 HydrophobicContact CB-CD1 3.86Å; L1104-F1106 HydrophobicContact CB-CE1 3.92Å; L1104-K1142 PolarHBondContact O-NZ 2.85Å
1105	K	82.5	Confident	84.4	Confident	130 Å²	130	31.1 Å²	31.1	57%	0.565	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.4	176.7	-171.9	179.7	168.9	-155.5	0	110.9	E1058 D1059 L1060 S1061	E1058-K1105 PolarHBondContact O-N 3.38Å; D1059-K1105 HydrophobicContact CB-CB 4.48Å; D1059-K1105 WeakPolarHBondContact OD2-CD 3.28Å; D1059-K1105 IonicContact OD2-NZ 3.88Å; D1059-K1105 PolarHBondContact OD2-NZ 3.12Å; D1059-K1105 VanDerWaalsContact OD2-NZ 3.12Å; L1060-K1105 CarbonylContact C-O 3.56Å; L1060-K1105 WeakPolarHBondContact CA-O 3.47Å; L1060-K1105 PolarHBondContact N-O 2.8Å; S1061-K1105 PolarHBondContact N-O 3.49Å
1106	F	85.1	Confident	84.7	Confident	16 Å²	16	31.7 Å²	31.7	7%	0.07	16%	0.159	C	C	.	.			trans	-156	163.2	176.2	63.5	-86.2	0	0	0	110.7	I979 L1060 L1101 L1104 L1109 I1140 K1142	I979-F1106 HydrophobicContact CD1-CZ 4.04Å; L1060-F1106 HydrophobicContact CB-CB 4.26Å; L1101-F1106 HydrophobicContact CB-CZ 4.46Å; L1101-F1106 HydrophobicContact CD2-CE1 4.16Å; L1101-F1106 HydrophobicContact CD2-CZ 4.05Å; L1101-F1106 WeakPolarHBondContact O-CE1 3.25Å; L1104-F1106 HydrophobicContact CB-CD1 3.86Å; L1104-F1106 HydrophobicContact CB-CE1 3.92Å; F1106-L1109 HydrophobicContact CD2-CB 3.67Å; F1106-L1109 HydrophobicContact CE2-CB 3.85Å; F1106-L1109 HydrophobicContact CG-CB 4.28Å; F1106-L1109 HydrophobicContact CZ-CD2 4.5Å; F1106-I1140 HydrophobicContact CE2-CB 4.46Å; F1106-I1140 HydrophobicContact CE2-CG2 3.99Å; F1106-I1140 HydrophobicContact CZ-CG2 4.06Å; F1106-K1142 HydrophobicContact CD2-CB 4.43Å; F1106-K1142 HydrophobicContact CE2-CB 4.09Å; F1106-K1142 HydrophobicContact CZ-CB 4.39Å
1107	K	80.6	Confident	84.9	Confident	152 Å²	152	31.7 Å²	31.7	66%	0.661	16%	0.159	S	C	*	.	S	Bend	trans	-103.9	-47.3	174.5	-172.9	179.5	-179.5	179.8	0	112	K1142	K1107-K1142 PolarHBondContact O-N 3.31Å
1108	V	84.6	Confident	85.2	Confident	49 Å²	49	33.2 Å²	33.2	30%	0.297	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135	175.3	-175	0	0	0	0	107.4	E1139 I1140 R1141	V1108-E1139 HydrophobicContact CG1-CG 3.99Å; V1108-I1140 CarbonylContact C-O 3.48Å; V1108-I1140 WeakPolarHBondContact CA-O 3.06Å; V1108-R1141 HydrophobicContact CB-CG 4.45Å; V1108-R1141 HydrophobicContact CG1-CG 4.14Å; V1108-R1141 HydrophobicContact CG2-CG 4.03Å
1109	L	87.8	Confident	85.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	119.2	179.7	-166.3	68.3	0	0	0	109.4	L1060 L1066 L1101 F1106 L1111 I1140	L1060-L1109 HydrophobicContact CD1-CD2 4.45Å; L1066-L1109 HydrophobicContact CD1-CD1 3.73Å; L1066-L1109 HydrophobicContact CD1-CD2 3.86Å; L1066-L1109 HydrophobicContact CD1-CG 4.03Å; L1066-L1109 HydrophobicContact CD2-CD1 4.49Å; L1066-L1109 HydrophobicContact CG-CD1 3.7Å; L1066-L1109 HydrophobicContact CG-CG 4.28Å; L1101-L1109 HydrophobicContact CD2-CD2 4.49Å; F1106-L1109 HydrophobicContact CD2-CB 3.67Å; F1106-L1109 HydrophobicContact CE2-CB 3.85Å; F1106-L1109 HydrophobicContact CG-CB 4.28Å; F1106-L1109 HydrophobicContact CZ-CD2 4.5Å; L1109-L1111 HydrophobicContact CD2-CD2 4Å; L1109-L1111 HydrophobicContact CG-CD2 4.07Å; L1109-I1140 HydrophobicContact CB-CB 4.42Å; L1109-I1140 PolarHBondContact N-O 2.9Å; L1109-I1140 PolarHBondContact O-N 2.84Å
1110	E	88.9	Confident	85.9	Confident	40 Å²	40	32.4 Å²	32.4	19%	0.187	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.9	174.1	-71.6	177.7	178.3	0	0	109.9	S1064 R1065 L1066 I1137 L1138 E1139	S1064-E1110 PolarHBondContact O-N 2.82Å; R1065-E1110 CarbonylContact C-O 3.59Å; R1065-E1110 WeakPolarHBondContact CA-O 3.42Å; R1065-E1110 HydrophobicContact CG-CB 3.97Å; R1065-E1110 VanDerWaalsContact CG-OE2 3.28Å; R1065-E1110 WeakPolarHBondContact CG-OE2 3.26Å; R1065-E1110 IonicContact CZ-OE2 2.76Å; R1065-E1110 IonicContact NE-OE2 3.83Å; R1065-E1110 PolarHBondContact NE-OE2 2.93Å; R1065-E1110 IonicContact NH2-OE2 2.75Å; R1065-E1110 PolarHBondContact NH2-OE2 2.95Å; L1066-E1110 PolarHBondContact N-O 3.34Å; E1110-I1137 HydrophobicContact CB-CG2 3.89Å; E1110-I1137 HydrophobicContact CG-CG2 4.01Å; E1110-L1138 CarbonylContact C-O 3.54Å; E1110-L1138 WeakPolarHBondContact CA-O 3.43Å; E1110-E1139 HydrophobicContact CG-CG 4.33Å
1111	L	89	Confident	85.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.3	173.3	-51.3	-176.6	0	0	0	109.5	P1019 L1028 L1029 L1066 L1109 I1137 L1138 I1140	P1019-L1111 HydrophobicContact CG-CB 3.91Å; L1028-L1111 HydrophobicContact CB-CD1 4.43Å; L1028-L1111 HydrophobicContact CD1-CD2 3.96Å; L1029-L1111 HydrophobicContact CD1-CD1 3.94Å; L1029-L1111 HydrophobicContact CD2-CD1 3.79Å; L1029-L1111 HydrophobicContact CG-CD1 3.87Å; L1066-L1111 HydrophobicContact CB-CD2 3.7Å; L1066-L1111 HydrophobicContact CD1-CD2 3.67Å; L1066-L1111 HydrophobicContact CG-CD2 4.13Å; L1109-L1111 HydrophobicContact CD2-CD2 4Å; L1109-L1111 HydrophobicContact CG-CD2 4.07Å; L1111-I1137 CarbonylContact O-C 3.54Å; L1111-I1137 WeakPolarHBondContact O-CA 3.47Å; L1111-L1138 HydrophobicContact CB-CB 4.2Å; L1111-L1138 HydrophobicContact CD1-CD2 4.27Å; L1111-L1138 PolarHBondContact N-O 2.85Å; L1111-L1138 PolarHBondContact O-N 3.38Å; L1111-I1140 HydrophobicContact CD1-CD1 3.7Å; L1111-I1140 HydrophobicContact CG-CD1 4.08Å
1112	I	90.4	Very high	85	Confident	25 Å²	25	43.3 Å²	43.3	13%	0.128	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	106.6	-176.7	-54.8	177.5	0	0	0	108.9	R1065 L1066 N1067 H1135 I1137	R1065-I1112 HydrophobicContact CB-CD1 4.23Å; R1065-I1112 HydrophobicContact CG-CD1 4.24Å; L1066-I1112 PolarHBondContact O-N 2.89Å; N1067-I1112 HydrophobicContact CB-CB 4.22Å; I1112-H1135 HydrophobicContact CG2-CB 4.25Å; I1112-I1137 HydrophobicContact CG1-CG1 4.4Å
1113	T	90	Very high	85.1	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.7	167	-58.4	0	0	0	0	108.4	F997 F999 I1016 E1017 I1018 H1135 I1136	F997-T1113 HydrophobicContact CD2-CG2 4.41Å; F997-T1113 WeakPolarHBondContact CE2-OG1 3.18Å; F999-T1113 HydrophobicContact CE2-CG2 4.21Å; F999-T1113 HydrophobicContact CZ-CG2 4.09Å; I1016-T1113 HydrophobicContact CG2-CG2 4.02Å; E1017-T1113 WeakPolarHBondContact O-CA 3.32Å; E1017-T1113 WeakPolarHBondContact O-CG2 3.35Å; I1018-T1113 HydrophobicContact CG1-CG2 3.99Å; T1113-H1135 WeakPolarHBondContact O-CA 3.24Å; T1113-I1136 PolarHBondContact N-O 2.79Å; T1113-I1136 PolarHBondContact O-N 3.47Å
1114	S	91.4	Very high	85.2	Confident	23 Å²	23	41.8 Å²	41.8	16%	0.161	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.4	179.4	73.8	0	0	0	0	110.8	I1016 E1017	I1016-S1114 CarbonylContact C-O 3.56Å; I1016-S1114 WeakPolarHBondContact CA-O 3.03Å; E1017-S1114 PolarHBondContact N-O 2.84Å; E1017-S1114 PolarHBondContact O-N 2.98Å; E1017-S1114 VanDerWaalsContact O-N 3.11Å
1115	A	92.1	Very high	85.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.7	172.7	0	0	0	0	0	109.1	F966 F999 L1014 N1015 I1016 V1133 R1134	F966-A1115 WeakPolarHBondContact CE1-O 3.32Å; F966-A1115 HydrophobicContact CZ-CB 3.79Å; F999-A1115 HydrophobicContact CD1-CB 3.55Å; F999-A1115 HydrophobicContact CD2-CB 4.22Å; F999-A1115 HydrophobicContact CE1-CB 3.34Å; F999-A1115 HydrophobicContact CE2-CB 4.03Å; F999-A1115 HydrophobicContact CG-CB 3.99Å; F999-A1115 HydrophobicContact CZ-CB 3.59Å; L1014-A1115 HydrophobicContact CD1-CB 4.32Å; N1015-A1115 CarbonylContact O-C 3.46Å; N1015-A1115 VanDerWaalsContact O-CA 3.3Å; N1015-A1115 WeakPolarHBondContact O-CA 3.33Å; I1016-A1115 HydrophobicContact CB-CB 4.49Å; I1016-A1115 HydrophobicContact CG1-CB 4Å; I1016-A1115 HydrophobicContact CG2-CB 4.41Å; A1115-V1133 CarbonylContact O-C 3.55Å; A1115-V1133 WeakPolarHBondContact O-CA 3.36Å; A1115-R1134 PolarHBondContact N-O 3.41Å; A1115-R1134 PolarHBondContact O-N 3.26Å
1116	S	92.1	Very high	85.5	Confident	13 Å²	13	37.7 Å²	37.7	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.6	177.5	63.4	0	0	0	0	110.5	N1015 K1131 P1132	N1015-S1116 PolarHBondContact N-O 3.31Å; N1015-S1116 PolarHBondContact O-N 3.49Å; S1116-K1131 WeakPolarHBondContact OG-CE 3.39Å; S1116-P1132 WeakPolarHBondContact CA-O 3.41Å
1117	M	91.3	Very high	85.4	Confident	1 Å²	1	38 Å²	38	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.9	173.7	-60	172.1	14.7	0	0	110.1	L964 F966 I1001 L1012 Q1013 L1014 P1132	L964-M1117 HydrophobicContact CB-CE 4.32Å; L964-M1117 HydrophobicContact CD1-CE 3.62Å; F966-M1117 HydrophobicContact CB-CE 4.3Å; F966-M1117 HydrophobicContact CB-SD 3.72Å; F966-M1117 HydrophobicContact CD1-CG 4.01Å; F966-M1117 HydrophobicContact CD1-SD 3.59Å; F966-M1117 VanDerWaalsContact CD1-SD 3.59Å; F966-M1117 HydrophobicContact CD2-SD 3.6Å; F966-M1117 VanDerWaalsContact CD2-SD 3.6Å; F966-M1117 HydrophobicContact CE1-CG 3.91Å; F966-M1117 HydrophobicContact CE1-SD 4.02Å; F966-M1117 HydrophobicContact CE2-CG 4.48Å; F966-M1117 HydrophobicContact CE2-SD 4.03Å; F966-M1117 HydrophobicContact CG-CG 4.35Å; F966-M1117 HydrophobicContact CG-SD 3.36Å; F966-M1117 WeakPolarHBondContact CG-SD 3.34Å; F966-M1117 HydrophobicContact CZ-CG 4.16Å; F966-M1117 HydrophobicContact CZ-SD 4.22Å; I1001-M1117 HydrophobicContact CB-SD 4.47Å; I1001-M1117 HydrophobicContact CD1-CG 4.38Å; I1001-M1117 HydrophobicContact CD1-SD 3.69Å; I1001-M1117 HydrophobicContact CG1-SD 3.77Å; I1001-M1117 HydrophobicContact CG2-CE 3.97Å; I1001-M1117 HydrophobicContact CG2-SD 3.86Å; L1012-M1117 HydrophobicContact CD1-CB 4.23Å; L1012-M1117 HydrophobicContact CD1-CE 4.18Å; L1012-M1117 HydrophobicContact CD2-CE 3.73Å; L1012-M1117 HydrophobicContact CD2-CG 4.48Å; L1012-M1117 HydrophobicContact CD2-SD 4.23Å; L1012-M1117 HydrophobicContact CG-CE 4.47Å; Q1013-M1117 CarbonylContact O-C 3.59Å; Q1013-M1117 WeakPolarHBondContact O-CA 3.42Å; L1014-M1117 HydrophobicContact CD1-CG 3.86Å; M1117-P1132 HydrophobicContact CB-CG 4.01Å; M1117-P1132 HydrophobicContact CE-CG 4.31Å; M1117-P1132 PolarHBondContact N-O 2.92Å; M1117-P1132 VanDerWaalsContact N-O 3.16Å; M1117-P1132 WeakPolarHBondContact O-CD 3.31Å
1118	E	89.5	Confident	85.2	Confident	65 Å²	65	35 Å²	35	30%	0.304	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	141.8	178.3	-160.2	168.2	159.4	0	0	109.6	Q1013 K1131	Q1013-E1118 PolarHBondContact N-O 3.44Å; Q1013-E1118 PolarHBondContact O-N 2.93Å; E1118-K1131 IonicContact OE2-NZ 2.74Å; E1118-K1131 PolarHBondContact OE2-NZ 3.02Å
1119	L	85.8	Confident	84.7	Confident	22 Å²	22	37.3 Å²	37.3	12%	0.115	22%	0.221	C	C	.	.			trans	-92	145.7	170.2	-73.8	173.8	0	0	0	109.4	V1009 L1012 M1125 L1127	V1009-L1119 HydrophobicContact CG1-CD2 3.72Å; L1012-L1119 HydrophobicContact CB-CD2 4.46Å; L1012-L1119 HydrophobicContact CD1-CD2 3.71Å; L1012-L1119 HydrophobicContact CD1-CG 4.1Å; L1119-M1125 HydrophobicContact CD1-CB 3.89Å; L1119-M1125 WeakPolarHBondContact CD1-O 3.42Å; L1119-L1127 HydrophobicContact CD1-CD1 4.4Å; L1119-L1127 HydrophobicContact CD1-CD2 3.91Å; L1119-L1127 HydrophobicContact CD1-CG 3.71Å; L1119-L1127 HydrophobicContact CG-CD1 4.28Å; L1119-L1127 HydrophobicContact CG-CD2 4.47Å; L1119-L1127 HydrophobicContact CG-CG 4.14Å
1120	P	83.3	Confident	83.6	Confident	43 Å²	43	44.1 Å²	44.1	28%	0.279	25%	0.253	S	S	.	.			trans	-56	142.1	173.8	-23.2	33	0	0	0	111.3	D1011 A1122 S1123	D1011-P1120 HydrophobicContact CB-CG 4.11Å; D1011-P1120 VanDerWaalsContact O-CD 3.31Å; D1011-P1120 WeakPolarHBondContact O-CD 3.46Å; D1011-P1120 WeakPolarHBondContact O-CG 3.47Å; P1120-A1122 PolarHBondContact O-N 2.83Å; P1120-S1123 WeakPolarHBondContact O-CB 3.34Å; P1120-S1123 PolarHBondContact O-N 3.15Å
1121	S	72.2	Confident	83.1	Confident	130 Å²	130	47 Å²	47	91%	0.909	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-17.8	-177	-44.4	0	0	0	0	114.6
1122	A	71.6	Confident	82.9	Confident	100 Å²	100	47.5 Å²	47.5	83%	0.826	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	1	175.8	0	0	0	0	0	113.7	P1120	P1120-A1122 PolarHBondContact O-N 2.83Å
1123	S	79.4	Confident	82.9	Confident	35 Å²	35	48.9 Å²	48.9	25%	0.245	28%	0.278	C	S	.	.			trans	-71.3	133.7	-179.4	-174.5	0	0	0	0	111	P1120 M1125	P1120-S1123 WeakPolarHBondContact O-CB 3.34Å; P1120-S1123 PolarHBondContact O-N 3.15Å; S1123-M1125 PolarHBondContact O-N 3.28Å; S1123-M1125 PolarHBondContact OG-N 3.47Å
1124	P	79	Confident	82.9	Confident	32 Å²	32	52.5 Å²	52.5	21%	0.208	29%	0.292	C	S	.	.	S	Bend	trans	-74.6	-3	171.2	33.2	-36.1	0	0	0	112.5	F928 D930 G959 Y960	F928-P1124 HydrophobicContact CB-CG 4.5Å; D930-P1124 HydrophobicContact CB-CB 3.95Å; G959-P1124 WeakPolarHBondContact CA-O 3.33Å; Y960-P1124 HydrophobicContact CD2-CB 4.08Å; Y960-P1124 HydrophobicContact CD2-CG 4.38Å; Y960-P1124 HydrophobicContact CE2-CB 4.17Å; Y960-P1124 HydrophobicContact CE2-CG 4.43Å; Y960-P1124 PolarHBondContact N-O 2.7Å
1125	M	86.1	Confident	82.9	Confident	15 Å²	15	56.5 Å²	56.5	7%	0.074	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	143.8	176	-61.5	-174.1	-179.5	0	0	111.1	F928 Y960 F1007 P1008 V1009 L1119 S1123	F928-M1125 HydrophobicContact CD1-CE 3.31Å; F928-M1125 HydrophobicContact CD2-CE 4.18Å; F928-M1125 HydrophobicContact CE1-CE 3.19Å; F928-M1125 HydrophobicContact CE2-CE 4.09Å; F928-M1125 HydrophobicContact CG-CE 3.8Å; F928-M1125 HydrophobicContact CZ-CE 3.59Å; Y960-M1125 CarbonylContact O-C 3.46Å; Y960-M1125 VanDerWaalsContact O-CA 3.25Å; Y960-M1125 WeakPolarHBondContact O-CA 3.35Å; F1007-M1125 HydrophobicContact CB-CE 4.41Å; P1008-M1125 WeakPolarHBondContact O-CE 3.25Å; V1009-M1125 HydrophobicContact CB-SD 4.44Å; V1009-M1125 HydrophobicContact CG1-SD 4.34Å; V1009-M1125 HydrophobicContact CG2-SD 4.16Å; L1119-M1125 HydrophobicContact CD1-CB 3.89Å; L1119-M1125 WeakPolarHBondContact CD1-O 3.42Å; S1123-M1125 PolarHBondContact O-N 3.28Å; S1123-M1125 PolarHBondContact OG-N 3.47Å
1126	F	85.4	Confident	82.7	Confident	30 Å²	30	56.8 Å²	56.8	13%	0.132	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148	170.6	67.7	-87.5	0	0	0	110.8	F813 F824 V839 Y960 E961 G962	F813-F1126 HydrophobicContact CE1-CE2 4.39Å; F813-F1126 HydrophobicContact CE1-CZ 4.11Å; F813-F1126 HydrophobicContact CZ-CZ 4.23Å; F824-F1126 HydrophobicContact CB-CD2 3.95Å; F824-F1126 HydrophobicContact CB-CE2 4.15Å; F824-F1126 HydrophobicContact CD1-CD2 4.34Å; F824-F1126 HydrophobicContact CD1-CE1 4.5Å; F824-F1126 AromaticContact CD1-CE2 3.87Å; F824-F1126 HydrophobicContact CD1-CE2 3.87Å; F824-F1126 AromaticContact CD1-CZ 3.96Å; F824-F1126 HydrophobicContact CD1-CZ 3.96Å; F824-F1126 HydrophobicContact CD2-CB 4.25Å; F824-F1126 AromaticContact CD2-CD1 3.93Å; F824-F1126 HydrophobicContact CD2-CD1 3.93Å; F824-F1126 AromaticContact CD2-CD2 3.82Å; F824-F1126 HydrophobicContact CD2-CD2 3.82Å; F824-F1126 HydrophobicContact CD2-CE1 4.23Å; F824-F1126 HydrophobicContact CD2-CE2 4.13Å; F824-F1126 AromaticContact CD2-CG 3.72Å; F824-F1126 HydrophobicContact CD2-CG 3.72Å; F824-F1126 HydrophobicContact CD2-CZ 4.33Å; F824-F1126 HydrophobicContact CE1-CE1 4.16Å; F824-F1126 HydrophobicContact CE1-CE2 4.29Å; F824-F1126 AromaticContact CE1-CZ 3.89Å; F824-F1126 HydrophobicContact CE1-CZ 3.89Å; F824-F1126 AromaticContact CE2-CD1 3.74Å; F824-F1126 HydrophobicContact CE2-CD1 3.74Å; F824-F1126 HydrophobicContact CE2-CD2 4.42Å; F824-F1126 AromaticContact CE2-CE1 3.87Å; F824-F1126 HydrophobicContact CE2-CE1 3.87Å; F824-F1126 HydrophobicContact CE2-CG 4.04Å; F824-F1126 HydrophobicContact CE2-CZ 4.27Å; F824-F1126 AromaticContact CG-CD2 3.78Å; F824-F1126 HydrophobicContact CG-CD2 3.78Å; F824-F1126 AromaticContact CG-CE2 3.78Å; F824-F1126 HydrophobicContact CG-CE2 3.78Å; F824-F1126 HydrophobicContact CG-CG 4.18Å; F824-F1126 HydrophobicContact CG-CZ 4.18Å; F824-F1126 HydrophobicContact CZ-CD1 4.19Å; F824-F1126 AromaticContact CZ-CE1 3.83Å; F824-F1126 HydrophobicContact CZ-CE1 3.83Å; F824-F1126 HydrophobicContact CZ-CZ 4.06Å; V839-F1126 HydrophobicContact CG1-CE1 4.25Å; V839-F1126 HydrophobicContact CG1-CZ 4.19Å; Y960-F1126 VanDerWaalsContact O-CD1 3.24Å; Y960-F1126 WeakPolarHBondContact O-CD1 3.32Å; Y960-F1126 PolarHBondContact O-N 3.04Å; E961-F1126 HydrophobicContact CB-CE1 4.3Å; E961-F1126 HydrophobicContact CB-CE2 4.32Å; E961-F1126 HydrophobicContact CB-CZ 3.85Å; E961-F1126 HydrophobicContact CG-CE2 4.36Å; E961-F1126 HydrophobicContact CG-CZ 4.35Å; G962-F1126 PolarHBondContact N-O 2.8Å
1127	L	83.9	Confident	82.5	Confident	23 Å²	23	59.6 Å²	59.6	12%	0.12	32%	0.322	C	S	.	.			trans	-94.8	156.3	171.3	-60.5	-179.5	0	0	0	109.8	L964 L1119 E1129 P1132	L964-L1127 HydrophobicContact CD1-CD2 3.84Å; L964-L1127 HydrophobicContact CG-CD2 4.22Å; L1119-L1127 HydrophobicContact CD1-CD1 4.4Å; L1119-L1127 HydrophobicContact CD1-CD2 3.91Å; L1119-L1127 HydrophobicContact CD1-CG 3.71Å; L1119-L1127 HydrophobicContact CG-CD1 4.28Å; L1119-L1127 HydrophobicContact CG-CD2 4.47Å; L1119-L1127 HydrophobicContact CG-CG 4.14Å; L1127-E1129 VanDerWaalsContact C-N 3.29Å; L1127-E1129 WeakPolarHBondContact CB-O 3.24Å; L1127-E1129 PolarHBondContact O-N 3.18Å; L1127-P1132 HydrophobicContact CD1-CG 4.44Å
1128	H	75.3	Confident	82.3	Confident	89 Å²	89	59.6 Å²	59.6	41%	0.412	32%	0.322	S	S	.	.	S	Bend	trans	-65.4	-36.2	174.6	-162.9	81.5	0	0	0	112
1129	E	73.8	Confident	82.1	Confident	96 Å²	96	58.5 Å²	58.5	45%	0.449	32%	0.317	S	S	.	.	S	Bend	trans	-106.9	131.8	172	-64.4	179.5	-168.5	0	0	109.4	L1127 K1131 P1132	L1127-E1129 VanDerWaalsContact C-N 3.29Å; L1127-E1129 WeakPolarHBondContact CB-O 3.24Å; L1127-E1129 PolarHBondContact O-N 3.18Å; E1129-K1131 VanDerWaalsContact C-N 3.32Å; E1129-K1131 PolarHBondContact O-N 3.35Å; E1129-P1132 HydrophobicContact CB-CB 4.26Å; E1129-P1132 WeakPolarHBondContact OE2-CB 3.39Å
1130	E	66.1	Low	82.2	Confident	143 Å²	143	57.4 Å²	57.4	67%	0.668	31%	0.311	S	S	*	.	S	Bend	trans	-63.5	-35.5	-176.6	-175.9	175.3	-169.2	0	0	113	I823	I823-E1130 HydrophobicContact CD1-CB 3.57Å
1131	K	77.8	Confident	82.2	Confident	101 Å²	101	59.5 Å²	59.5	44%	0.439	31%	0.314	S	S	.	.	S	Bend	trans	-149.6	81.3	177.5	-169.8	167.5	-172.2	140.7	0	110.6	S1116 E1118 E1129 V1133	S1116-K1131 WeakPolarHBondContact OG-CE 3.39Å; E1118-K1131 IonicContact OE2-NZ 2.74Å; E1118-K1131 PolarHBondContact OE2-NZ 3.02Å; E1129-K1131 VanDerWaalsContact C-N 3.32Å; E1129-K1131 PolarHBondContact O-N 3.35Å; K1131-V1133 HydrophobicContact CG-CG2 4.48Å; K1131-V1133 WeakPolarHBondContact O-CG2 3.19Å; K1131-V1133 PolarHBondContact O-N 3.41Å
1132	P	85.2	Confident	82.6	Confident	11 Å²	11	55.8 Å²	55.8	7%	0.071	28%	0.281	C	S	.	.			trans	-65.3	126.3	179.2	28.3	-36.1	0	0	0	109.7	F966 S1116 M1117 L1127 E1129	F966-P1132 HydrophobicContact CD1-CB 4.21Å; F966-P1132 HydrophobicContact CD1-CG 4.46Å; S1116-P1132 WeakPolarHBondContact CA-O 3.41Å; M1117-P1132 HydrophobicContact CB-CG 4.01Å; M1117-P1132 HydrophobicContact CE-CG 4.31Å; M1117-P1132 PolarHBondContact N-O 2.92Å; M1117-P1132 VanDerWaalsContact N-O 3.16Å; M1117-P1132 WeakPolarHBondContact O-CD 3.31Å; L1127-P1132 HydrophobicContact CD1-CG 4.44Å; E1129-P1132 HydrophobicContact CB-CB 4.26Å; E1129-P1132 WeakPolarHBondContact OE2-CB 3.39Å
1133	V	88.8	Confident	82.4	Confident	53 Å²	53	56.4 Å²	56.4	32%	0.321	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.8	179.8	-173	0	0	0	0	110.3	A1115 K1131 H1135	A1115-V1133 CarbonylContact O-C 3.55Å; A1115-V1133 WeakPolarHBondContact O-CA 3.36Å; K1131-V1133 HydrophobicContact CG-CG2 4.48Å; K1131-V1133 WeakPolarHBondContact O-CG2 3.19Å; K1131-V1133 PolarHBondContact O-N 3.41Å; V1133-H1135 VanDerWaalsContact CG1-CE1 3.46Å; V1133-H1135 WeakPolarHBondContact CG1-CE1 3.45Å
1134	R	91.7	Very high	81.4	Confident	78 Å²	78	56.9 Å²	56.9	29%	0.294	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.1	172.8	-62	-64.8	176	-102.8	2.1	110.4	F966 F999 A1115	F966-R1134 HydrophobicContact CD1-CB 4.3Å; F966-R1134 HydrophobicContact CD1-CG 3.4Å; F966-R1134 HydrophobicContact CD2-CG 4.2Å; F966-R1134 HydrophobicContact CE1-CB 3.81Å; F966-R1134 HydrophobicContact CE1-CG 3.42Å; F966-R1134 VanDerWaalsContact CE1-CG 3.42Å; F966-R1134 HydrophobicContact CE2-CB 4.47Å; F966-R1134 HydrophobicContact CE2-CG 4.22Å; F966-R1134 HydrophobicContact CG-CG 3.81Å; F966-R1134 HydrophobicContact CZ-CB 3.91Å; F966-R1134 HydrophobicContact CZ-CG 3.85Å; F966-R1134 PolarHBondContact O-NE 3.47Å; F999-R1134 HydrophobicContact CE1-CB 4.42Å; A1115-R1134 PolarHBondContact N-O 3.41Å; A1115-R1134 PolarHBondContact O-N 3.26Å
1135	H	90	Very high	79.9	Confident	106 Å²	106	61.4 Å²	61.4	49%	0.491	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.5	-173.7	-60.4	-66.3	0	0	0	111.5	I1112 T1113 V1133	I1112-H1135 HydrophobicContact CG2-CB 4.25Å; T1113-H1135 WeakPolarHBondContact O-CA 3.24Å; V1133-H1135 VanDerWaalsContact CG1-CE1 3.46Å; V1133-H1135 WeakPolarHBondContact CG1-CE1 3.45Å
1136	I	87.9	Confident	78	Confident	7 Å²	7	69.7 Å²	69.7	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.3	168.9	-60.4	177.1	0	0	0	108.1	F997 F999 T1113	F997-I1136 HydrophobicContact CB-CD1 3.79Å; F997-I1136 HydrophobicContact CD1-CD1 4.38Å; F997-I1136 HydrophobicContact CD1-CG2 3.68Å; F997-I1136 HydrophobicContact CE1-CG2 3.75Å; F997-I1136 HydrophobicContact CG-CD1 4.14Å; F997-I1136 HydrophobicContact CG-CG2 4.23Å; F997-I1136 HydrophobicContact CZ-CG2 4.32Å; F999-I1136 HydrophobicContact CD1-CD1 4.43Å; F999-I1136 HydrophobicContact CD2-CD1 4.48Å; F999-I1136 HydrophobicContact CE1-CD1 3.8Å; F999-I1136 HydrophobicContact CE1-CG1 3.98Å; F999-I1136 HydrophobicContact CE2-CD1 3.87Å; F999-I1136 HydrophobicContact CZ-CD1 3.49Å; F999-I1136 VanDerWaalsContact CZ-CD1 3.49Å; F999-I1136 HydrophobicContact CZ-CG1 3.87Å; T1113-I1136 PolarHBondContact N-O 2.79Å; T1113-I1136 PolarHBondContact O-N 3.47Å
1137	I	87.8	Confident	76.4	Confident	72 Å²	72	78.3 Å²	78.3	37%	0.369	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	98.8	-171.8	-54.1	175.1	0	0	0	112.1	R970 E1110 L1111 I1112	R970-I1137 VanDerWaalsContact CZ-O 3.31Å; R970-I1137 PolarHBondContact NH1-O 2.68Å; R970-I1137 PolarHBondContact NH2-O 3.18Å; E1110-I1137 HydrophobicContact CB-CG2 3.89Å; E1110-I1137 HydrophobicContact CG-CG2 4.01Å; L1111-I1137 CarbonylContact O-C 3.54Å; L1111-I1137 WeakPolarHBondContact O-CA 3.47Å; I1112-I1137 HydrophobicContact CG1-CG1 4.4Å
1138	L	87	Confident	75	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.005	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	113.9	178.5	-174.1	71.5	0	0	0	110.7	Y977 F997 L1029 L1096 E1110 L1111	Y977-L1138 HydrophobicContact CD2-CD1 3.65Å; Y977-L1138 HydrophobicContact CD2-CG 4.34Å; Y977-L1138 HydrophobicContact CE2-CD1 3.28Å; Y977-L1138 HydrophobicContact CE2-CG 4.37Å; F997-L1138 HydrophobicContact CE1-CD1 4.42Å; F997-L1138 HydrophobicContact CZ-CB 4.22Å; F997-L1138 HydrophobicContact CZ-CD1 4.43Å; F997-L1138 HydrophobicContact CZ-CD2 4.27Å; L1029-L1138 HydrophobicContact CD2-CD2 3.91Å; L1096-L1138 HydrophobicContact CD1-CD2 4.28Å; E1110-L1138 CarbonylContact C-O 3.54Å; E1110-L1138 WeakPolarHBondContact CA-O 3.43Å; L1111-L1138 HydrophobicContact CB-CB 4.2Å; L1111-L1138 HydrophobicContact CD1-CD2 4.27Å; L1111-L1138 PolarHBondContact N-O 2.85Å; L1111-L1138 PolarHBondContact O-N 3.38Å
1139	E	87	Confident	74.2	Confident	41 Å²	41	80.8 Å²	80.8	19%	0.192	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.7	-178.9	-169.3	-174.2	158.5	0	0	111.6	Y977 V1108 E1110 R1141	Y977-E1139 PolarHBondContact N-O 3.43Å; V1108-E1139 HydrophobicContact CG1-CG 3.99Å; E1110-E1139 HydrophobicContact CG-CG 4.33Å; E1139-R1141 IonicContact OE1-CZ 2.84Å; E1139-R1141 IonicContact OE1-NE 3.96Å; E1139-R1141 PolarHBondContact OE1-NE 3.39Å; E1139-R1141 IonicContact OE1-NH2 3.69Å; E1139-R1141 PolarHBondContact OE1-NH2 2.81Å
1140	I	86.8	Confident	73.7	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.5	179.3	-52.5	171.1	0	0	0	108.7	Y977 I979 L1096 L1101 F1106 V1108 L1109 L1111	Y977-I1140 CarbonylContact O-C 3.56Å; Y977-I1140 WeakPolarHBondContact O-CA 3.35Å; I979-I1140 HydrophobicContact CD1-CG2 3.62Å; I979-I1140 HydrophobicContact CG1-CG2 4.07Å; L1096-I1140 HydrophobicContact CD2-CD1 3.6Å; L1096-I1140 HydrophobicContact CD2-CG1 3.79Å; L1101-I1140 HydrophobicContact CD1-CD1 4.26Å; L1101-I1140 HydrophobicContact CD2-CD1 4.2Å; F1106-I1140 HydrophobicContact CE2-CB 4.46Å; F1106-I1140 HydrophobicContact CE2-CG2 3.99Å; F1106-I1140 HydrophobicContact CZ-CG2 4.06Å; V1108-I1140 CarbonylContact C-O 3.48Å; V1108-I1140 WeakPolarHBondContact CA-O 3.06Å; L1109-I1140 HydrophobicContact CB-CB 4.42Å; L1109-I1140 PolarHBondContact N-O 2.9Å; L1109-I1140 PolarHBondContact O-N 2.84Å; L1111-I1140 HydrophobicContact CD1-CD1 3.7Å; L1111-I1140 HydrophobicContact CG-CD1 4.08Å
1141	R	83.8	Confident	73.8	Confident	86 Å²	86	83.7 Å²	83.7	33%	0.325	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.9	175.1	-61	-149.5	-163.9	167.1	-3.8	111.5	R976 Y977 E978 I979 V1108 E1139	R976-R1141 HydrophobicContact CG-CG 4.37Å; R976-R1141 VanDerWaalsContact CZ-NE 3.28Å; R976-R1141 VanDerWaalsContact NH2-CD 3.31Å; Y977-R1141 PolarHBondContact O-N 3.05Å; E978-R1141 WeakPolarHBondContact CA-O 3.31Å; I979-R1141 PolarHBondContact N-O 2.76Å; V1108-R1141 HydrophobicContact CB-CG 4.45Å; V1108-R1141 HydrophobicContact CG1-CG 4.14Å; V1108-R1141 HydrophobicContact CG2-CG 4.03Å; E1139-R1141 IonicContact OE1-CZ 2.84Å; E1139-R1141 IonicContact OE1-NE 3.96Å; E1139-R1141 PolarHBondContact OE1-NE 3.39Å; E1139-R1141 IonicContact OE1-NH2 3.69Å; E1139-R1141 PolarHBondContact OE1-NH2 2.81Å
1142	K	80.9	Confident	73.5	Confident	53 Å²	53	82.1 Å²	82.1	23%	0.23	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.5	175.1	-168.4	169.1	-174.9	162.1	0	108.6	L1101 H1102 L1104 F1106 K1107 G1144	L1101-K1142 PolarHBondContact O-NZ 2.84Å; H1102-K1142 PolarHBondContact O-NZ 3.5Å; L1104-K1142 PolarHBondContact O-NZ 2.85Å; F1106-K1142 HydrophobicContact CD2-CB 4.43Å; F1106-K1142 HydrophobicContact CE2-CB 4.09Å; F1106-K1142 HydrophobicContact CZ-CB 4.39Å; K1107-K1142 PolarHBondContact O-N 3.31Å; K1142-G1144 PolarHBondContact O-N 3.31Å
1143	E	67.6	Low	72.8	Confident	112 Å²	112	85.9 Å²	85.9	52%	0.523	41%	0.41	S	S	.	.			trans	-69.4	123	175.8	-130.5	171.2	179.7	0	0	108.5	I979	I979-E1143 PolarHBondContact O-N 2.9Å
1144	G	57	Low	72.2	Confident	45 Å²	45	87.3 Å²	87.3	46%	0.464	42%	0.418	S	S	.	.			trans	-79.6	141.1	179	0	0	0	0	0	110.7	K1142 Y1146	K1142-G1144 PolarHBondContact O-N 3.31Å; G1144-Y1146 VanDerWaalsContact C-N 3.31Å; G1144-Y1146 VanDerWaalsContact O-CD2 3.24Å; G1144-Y1146 WeakPolarHBondContact O-CD2 2.97Å; G1144-Y1146 PolarHBondContact O-N 3Å
1145	D	47.4	Very low	71.5	Confident	127 Å²	127	85.3 Å²	85.3	68%	0.679	42%	0.423	S	S	*	.			trans	-63.5	89.7	168.3	-130.9	3.3	0	0	0	108.6	R1147	D1145-R1147 PolarHBondContact O-N 2.62Å
1146	Y	48.1	Very low	70.9	Confident	190 Å²	190	84.1 Å²	84.1	75%	0.745	43%	0.426	S	S	*	.			trans	-76.4	71.7	173.9	-75.3	-83	0	0	0	109.5	G1144 I1148	G1144-Y1146 VanDerWaalsContact C-N 3.31Å; G1144-Y1146 VanDerWaalsContact O-CD2 3.24Å; G1144-Y1146 WeakPolarHBondContact O-CD2 2.97Å; G1144-Y1146 PolarHBondContact O-N 3Å; Y1146-I1148 PolarHBondContact O-N 2.96Å; Y1146-I1148 VanDerWaalsContact O-N 3.11Å
1147	R	51.1	Low	70.5	Confident	210 Å²	210	87.6 Å²	87.6	79%	0.792	45%	0.448	S	S	*	.			trans	-74.6	98.1	158.3	-69.9	-170.2	-176.9	-173	0.5	107.3	D1145 P1149	D1145-R1147 PolarHBondContact O-N 2.62Å; R1147-P1149 WeakPolarHBondContact O-CD 3.35Å; R1147-P1149 VanDerWaalsContact O-N 3.11Å
1148	I	55	Low	70.3	Confident	104 Å²	104	89.7 Å²	89.7	53%	0.533	46%	0.459	S	S	.	.			trans	-50.5	119.7	169.6	-60	171.9	0	0	0	106.7	Y1146 T1150 I1152 I1153	Y1146-I1148 PolarHBondContact O-N 2.96Å; Y1146-I1148 VanDerWaalsContact O-N 3.11Å; I1148-T1150 PolarHBondContact O-N 3.46Å; I1148-I1152 HydrophobicContact CG2-CB 3.99Å; I1148-I1152 HydrophobicContact CG2-CG2 4.1Å; I1148-I1153 HydrophobicContact CB-CD1 4.49Å; I1148-I1153 HydrophobicContact CG2-CD1 4.35Å; I1148-I1153 HydrophobicContact CG2-CG1 3.9Å
1149	P	58.2	Low	70.1	Confident	61 Å²	61	91.4 Å²	91.4	40%	0.396	48%	0.477	S	S	.	.			trans	-54.9	132.5	179.5	-25.6	33.3	0	0	0	109.9	R1147 W1151 I1152 I1153	R1147-P1149 WeakPolarHBondContact O-CD 3.35Å; R1147-P1149 VanDerWaalsContact O-N 3.11Å; P1149-W1151 HydrophobicContact CB-CG 4.27Å; P1149-W1151 PolarHBondContact O-N 2.99Å; P1149-I1152 HydrophobicContact CB-CD1 4.47Å; P1149-I1152 HydrophobicContact CB-CG1 4.33Å; P1149-I1152 HydrophobicContact CG-CD1 4.07Å; P1149-I1152 HydrophobicContact CG-CG1 4.48Å; P1149-I1152 WeakPolarHBondContact O-CB 3.38Å; P1149-I1152 PolarHBondContact O-N 3.32Å; P1149-I1153 PolarHBondContact O-N 2.82Å
1150	T	62.8	Low	69.8	Low	114 Å²	114	91.2 Å²	91.2	70%	0.699	49%	0.486	S	S	*	.	H	α-helix	trans	-53.6	-28.3	-179.1	39.3	0	0	0	0	112.6	I1148 I1152 I1153 V1154	I1148-T1150 PolarHBondContact O-N 3.46Å; T1150-I1152 VanDerWaalsContact C-N 3.32Å; T1150-I1152 PolarHBondContact O-N 2.8Å; T1150-I1153 PolarHBondContact O-N 2.88Å; T1150-V1154 VanDerWaalsContact O-CG2 3.29Å; T1150-V1154 WeakPolarHBondContact O-CG2 3.35Å; T1150-V1154 PolarHBondContact O-N 3.23Å
1151	W	67.8	Low	69.7	Low	186 Å²	186	96.7 Å²	96.7	71%	0.705	52%	0.515	S	S	*	.	H	α-helix	trans	-65.7	-29	174.7	82.2	-93.5	0	0	0	113.9	P1149 G1155	P1149-W1151 HydrophobicContact CB-CG 4.27Å; P1149-W1151 PolarHBondContact O-N 2.99Å; W1151-G1155 WeakPolarHBondContact O-CA 3.45Å; W1151-G1155 PolarHBondContact O-N 3.35Å
1152	I	72.4	Confident	69.8	Low	67 Å²	67	98.2 Å²	98.2	34%	0.344	53%	0.529	S	S	.	.	H	α-helix	trans	-73.6	-37.5	174.3	-61.1	-178.2	0	0	0	109.8	I1148 P1149 T1150 G1155 S1156	I1148-I1152 HydrophobicContact CG2-CB 3.99Å; I1148-I1152 HydrophobicContact CG2-CG2 4.1Å; P1149-I1152 HydrophobicContact CB-CD1 4.47Å; P1149-I1152 HydrophobicContact CB-CG1 4.33Å; P1149-I1152 HydrophobicContact CG-CD1 4.07Å; P1149-I1152 HydrophobicContact CG-CG1 4.48Å; P1149-I1152 WeakPolarHBondContact O-CB 3.38Å; P1149-I1152 PolarHBondContact O-N 3.32Å; T1150-I1152 VanDerWaalsContact C-N 3.32Å; T1150-I1152 PolarHBondContact O-N 2.8Å; I1152-G1155 PolarHBondContact O-N 3.26Å; I1152-S1156 VanDerWaalsContact O-CB 3.26Å; I1152-S1156 WeakPolarHBondContact O-CB 3.35Å; I1152-S1156 PolarHBondContact O-N 3.29Å; I1152-S1156 PolarHBondContact O-OG 3.31Å; I1152-S1156 VanDerWaalsContact O-OG 3.12Å
1153	I	69.6	Low	69.9	Low	91 Å²	91	101 Å²	101	47%	0.467	55%	0.545	S	S	.	.	H	α-helix	trans	-67	-43.3	174.2	-58.7	175.5	0	0	0	110.5	I1148 P1149 T1150 T1157	I1148-I1153 HydrophobicContact CB-CD1 4.49Å; I1148-I1153 HydrophobicContact CG2-CD1 4.35Å; I1148-I1153 HydrophobicContact CG2-CG1 3.9Å; P1149-I1153 PolarHBondContact O-N 2.82Å; T1150-I1153 PolarHBondContact O-N 2.88Å; I1153-T1157 WeakPolarHBondContact O-CB 3.47Å; I1153-T1157 WeakPolarHBondContact O-CG2 3.45Å; I1153-T1157 PolarHBondContact O-N 2.86Å; I1153-T1157 PolarHBondContact O-OG1 2.91Å
1154	V	75.9	Confident	70.6	Confident	82 Å²	82	100.7 Å²	100.7	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-65.4	-40.8	174.6	173.2	0	0	0	0	111.2	T1150 T1157 L1158	T1150-V1154 VanDerWaalsContact O-CG2 3.29Å; T1150-V1154 WeakPolarHBondContact O-CG2 3.35Å; T1150-V1154 PolarHBondContact O-N 3.23Å; V1154-T1157 VanDerWaalsContact CA-OG1 3.32Å; V1154-T1157 WeakPolarHBondContact CA-OG1 3.45Å; V1154-T1157 PolarHBondContact O-N 2.84Å; V1154-T1157 PolarHBondContact O-OG1 2.74Å; V1154-L1158 HydrophobicContact CG1-CD1 3.93Å; V1154-L1158 WeakPolarHBondContact O-CB 3.31Å; V1154-L1158 PolarHBondContact O-N 3.31Å
1155	G	78.2	Confident	71.8	Confident	37 Å²	37	101.1 Å²	101.1	38%	0.381	55%	0.546	S	S	.	.	H	α-helix	trans	-67	-41.6	176.8	0	0	0	0	0	113	W1151 I1152 G1159	W1151-G1155 WeakPolarHBondContact O-CA 3.45Å; W1151-G1155 PolarHBondContact O-N 3.35Å; I1152-G1155 PolarHBondContact O-N 3.26Å; G1155-G1159 PolarHBondContact O-N 2.99Å
1156	S	76.8	Confident	73.5	Confident	81 Å²	81	100 Å²	100	57%	0.566	54%	0.54	S	S	*	.	H	α-helix	trans	-71.2	-32.1	176	-70.3	0	0	0	0	112.8	I1152 G1160	I1152-S1156 VanDerWaalsContact O-CB 3.26Å; I1152-S1156 WeakPolarHBondContact O-CB 3.35Å; I1152-S1156 PolarHBondContact O-N 3.29Å; I1152-S1156 PolarHBondContact O-OG 3.31Å; I1152-S1156 VanDerWaalsContact O-OG 3.12Å; S1156-G1160 WeakPolarHBondContact O-CA 3.38Å; S1156-G1160 PolarHBondContact O-N 3.02Å
1157	T	79.1	Confident	75	Confident	79 Å²	79	95.3 Å²	95.3	49%	0.485	53%	0.527	S	S	.	.	H	α-helix	trans	-73.4	-41.9	173.8	46.4	0	0	0	0	112.1	I1153 V1154 G1160 L1161	I1153-T1157 WeakPolarHBondContact O-CB 3.47Å; I1153-T1157 WeakPolarHBondContact O-CG2 3.45Å; I1153-T1157 PolarHBondContact O-N 2.86Å; I1153-T1157 PolarHBondContact O-OG1 2.91Å; V1154-T1157 VanDerWaalsContact CA-OG1 3.32Å; V1154-T1157 WeakPolarHBondContact CA-OG1 3.45Å; V1154-T1157 PolarHBondContact O-N 2.84Å; V1154-T1157 PolarHBondContact O-OG1 2.74Å; T1157-G1160 PolarHBondContact O-N 2.79Å; T1157-L1161 WeakPolarHBondContact O-CB 3.34Å; T1157-L1161 WeakPolarHBondContact O-CG 3.01Å; T1157-L1161 PolarHBondContact O-N 3.19Å
1158	L	83	Confident	76.3	Confident	116 Å²	116	87.7 Å²	87.7	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-64.1	-44.7	172.3	-85.8	160	0	0	0	111.9	V1154 L1161 L1162	V1154-L1158 HydrophobicContact CG1-CD1 3.93Å; V1154-L1158 WeakPolarHBondContact O-CB 3.31Å; V1154-L1158 PolarHBondContact O-N 3.31Å; L1158-L1161 PolarHBondContact O-N 3.13Å; L1158-L1162 WeakPolarHBondContact O-CB 3.32Å; L1158-L1162 PolarHBondContact O-N 3.36Å
1159	G	83.1	Confident	77.5	Confident	38 Å²	38	87.7 Å²	87.7	39%	0.392	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-40.1	175.5	0	0	0	0	0	112.4	G1155 L1162 L1163	G1155-G1159 PolarHBondContact O-N 2.99Å; G1159-L1162 PolarHBondContact O-N 2.65Å; G1159-L1163 WeakPolarHBondContact O-CB 3.17Å; G1159-L1163 PolarHBondContact O-N 3.47Å
1160	G	81.9	Confident	78.4	Confident	37 Å²	37	86.9 Å²	86.9	38%	0.381	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-42.9	174.5	0	0	0	0	0	112.7	S1156 T1157 L1163 L1164	S1156-G1160 WeakPolarHBondContact O-CA 3.38Å; S1156-G1160 PolarHBondContact O-N 3.02Å; T1157-G1160 PolarHBondContact O-N 2.79Å; G1160-L1163 PolarHBondContact O-N 3.5Å; G1160-L1164 VanDerWaalsContact O-CB 3.28Å; G1160-L1164 WeakPolarHBondContact O-CB 3.45Å; G1160-L1164 PolarHBondContact O-N 3.36Å
1161	L	84.5	Confident	79	Confident	114 Å²	114	84.5 Å²	84.5	60%	0.597	49%	0.488	S	S	*	.	H	α-helix	trans	-66.3	-38.5	174.5	-80.8	166.7	0	0	0	112.2	T1157 L1158 L1164 A1165	T1157-L1161 WeakPolarHBondContact O-CB 3.34Å; T1157-L1161 WeakPolarHBondContact O-CG 3.01Å; T1157-L1161 PolarHBondContact O-N 3.19Å; L1158-L1161 PolarHBondContact O-N 3.13Å; L1161-L1164 PolarHBondContact O-N 2.96Å; L1161-A1165 WeakPolarHBondContact O-CB 3.38Å; L1161-A1165 PolarHBondContact O-N 2.95Å
1162	L	84.6	Confident	79.1	Confident	119 Å²	119	84.2 Å²	84.2	62%	0.623	49%	0.486	S	S	*	.	H	α-helix	trans	-66	-43.2	175.8	-163.3	102.7	0	0	0	111.3	L1158 G1159 A1165 L1166	L1158-L1162 WeakPolarHBondContact O-CB 3.32Å; L1158-L1162 PolarHBondContact O-N 3.36Å; G1159-L1162 PolarHBondContact O-N 2.65Å; L1162-A1165 PolarHBondContact O-N 2.85Å; L1162-L1166 HydrophobicContact CD2-CD1 4.3Å; L1162-L1166 WeakPolarHBondContact O-CB 3.36Å; L1162-L1166 PolarHBondContact O-N 2.86Å
1163	L	83.6	Confident	79.2	Confident	110 Å²	110	89.9 Å²	89.9	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-63.7	-42.9	174.9	-166.4	89.7	0	0	0	111.1	G1159 G1160 L1166 L1167	G1159-L1163 WeakPolarHBondContact O-CB 3.17Å; G1159-L1163 PolarHBondContact O-N 3.47Å; G1160-L1163 PolarHBondContact O-N 3.5Å; L1163-L1166 PolarHBondContact O-N 3.07Å; L1163-L1167 HydrophobicContact CD2-CD1 4.15Å; L1163-L1167 HydrophobicContact CG-CD1 4.15Å; L1163-L1167 WeakPolarHBondContact O-CB 3.45Å; L1163-L1167 PolarHBondContact O-N 2.81Å
1164	L	83.3	Confident	79.2	Confident	107 Å²	107	92.3 Å²	92.3	56%	0.56	52%	0.522	S	S	*	.	H	α-helix	trans	-62.5	-42.9	176	-166.9	91.8	0	0	0	110.9	G1160 L1161 L1167 S1168	G1160-L1164 VanDerWaalsContact O-CB 3.28Å; G1160-L1164 WeakPolarHBondContact O-CB 3.45Å; G1160-L1164 PolarHBondContact O-N 3.36Å; L1161-L1164 PolarHBondContact O-N 2.96Å; L1164-L1167 PolarHBondContact O-N 3.4Å; L1164-S1168 VanDerWaalsContact O-CB 3.28Å; L1164-S1168 WeakPolarHBondContact O-CB 3.46Å; L1164-S1168 PolarHBondContact O-N 3.01Å; L1164-S1168 PolarHBondContact O-OG 3.37Å
1165	A	80.9	Confident	78.5	Confident	53 Å²	53	90.4 Å²	90.4	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-42.9	176.5	0	0	0	0	0	111.5	L1161 L1162 S1168 L1169	L1161-A1165 WeakPolarHBondContact O-CB 3.38Å; L1161-A1165 PolarHBondContact O-N 2.95Å; L1162-A1165 PolarHBondContact O-N 2.85Å; A1165-S1168 PolarHBondContact O-N 3.08Å; A1165-L1169 WeakPolarHBondContact O-CB 3.34Å; A1165-L1169 PolarHBondContact O-N 3.13Å
1166	L	83.4	Confident	77.6	Confident	105 Å²	105	96.4 Å²	96.4	55%	0.55	53%	0.534	S	S	.	.	H	α-helix	trans	-64.1	-42.9	174.8	-81.7	166.7	0	0	0	112.3	L1162 L1163 L1169 A1170	L1162-L1166 HydrophobicContact CD2-CD1 4.3Å; L1162-L1166 WeakPolarHBondContact O-CB 3.36Å; L1162-L1166 PolarHBondContact O-N 2.86Å; L1163-L1166 PolarHBondContact O-N 3.07Å; L1166-L1169 PolarHBondContact O-N 2.75Å; L1166-A1170 WeakPolarHBondContact O-CB 3.28Å; L1166-A1170 PolarHBondContact O-N 3.21Å
1167	L	79.8	Confident	76.8	Confident	91 Å²	91	98.9 Å²	98.9	48%	0.476	54%	0.535	S	S	.	.	H	α-helix	trans	-64.1	-40.3	173.9	-89.3	159.7	0	0	0	111.7	L1163 L1164 A1170 L1171	L1163-L1167 HydrophobicContact CD2-CD1 4.15Å; L1163-L1167 HydrophobicContact CG-CD1 4.15Å; L1163-L1167 WeakPolarHBondContact O-CB 3.45Å; L1163-L1167 PolarHBondContact O-N 2.81Å; L1164-L1167 PolarHBondContact O-N 3.4Å; L1167-A1170 PolarHBondContact O-N 3.3Å; L1167-L1171 VanDerWaalsContact O-CB 3.28Å; L1167-L1171 WeakPolarHBondContact O-CB 3.49Å; L1167-L1171 WeakPolarHBondContact O-CG 3.04Å; L1167-L1171 PolarHBondContact O-N 3.27Å
1168	S	78.2	Confident	75.4	Confident	49 Å²	49	106.1 Å²	106.1	34%	0.343	55%	0.554	S	S	.	*	H	α-helix	trans	-63.7	-42.6	175.9	-55.7	0	0	0	0	111.1	L1164 A1165 L1171 W1172	L1164-S1168 VanDerWaalsContact O-CB 3.28Å; L1164-S1168 WeakPolarHBondContact O-CB 3.46Å; L1164-S1168 PolarHBondContact O-N 3.01Å; L1164-S1168 PolarHBondContact O-OG 3.37Å; A1165-S1168 PolarHBondContact O-N 3.08Å; S1168-L1171 PolarHBondContact O-N 3.2Å; S1168-W1172 VanDerWaalsContact O-CB 3.24Å; S1168-W1172 WeakPolarHBondContact O-CB 3.44Å; S1168-W1172 PolarHBondContact O-N 3.5Å
1169	L	79.4	Confident	73.6	Confident	104 Å²	104	112.2 Å²	112.2	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-64.6	-42	174.3	-114.3	155.1	0	0	0	111.7	A1165 L1166 W1172 K1173	A1165-L1169 WeakPolarHBondContact O-CB 3.34Å; A1165-L1169 PolarHBondContact O-N 3.13Å; L1166-L1169 PolarHBondContact O-N 2.75Å; L1169-W1172 HydrophobicContact CD2-CE3 4.21Å; L1169-W1172 PolarHBondContact O-N 2.99Å; L1169-K1173 WeakPolarHBondContact O-CB 3.45Å; L1169-K1173 PolarHBondContact O-N 2.05Å
1170	A	77.3	Confident	71.5	Confident	45 Å²	45	119.4 Å²	119.4	37%	0.372	59%	0.592	S	S	.	*	H	α-helix	trans	-64.5	-45.5	175.5	0	0	0	0	0	111.6	L1166 L1167 W1172 K1173 L1174	L1166-A1170 WeakPolarHBondContact O-CB 3.28Å; L1166-A1170 PolarHBondContact O-N 3.21Å; L1167-A1170 PolarHBondContact O-N 3.3Å; A1170-W1172 VanDerWaalsContact C-N 3.35Å; A1170-W1172 PolarHBondContact O-N 3.38Å; A1170-K1173 PolarHBondContact O-N 3.05Å; A1170-L1174 WeakPolarHBondContact O-CB 3.45Å; A1170-L1174 VanDerWaalsContact O-CG 3.25Å; A1170-L1174 WeakPolarHBondContact O-CG 3.02Å; A1170-L1174 PolarHBondContact O-N 3.05Å
1171	L	75.4	Confident	69.3	Low	64 Å²	64	127 Å²	127	34%	0.335	61%	0.614	S	S	.	*	H	α-helix	trans	-66.4	-34.1	176.5	-72.6	166.8	0	0	0	112.3	L1167 S1168 G1175 F1176 F1177	L1167-L1171 VanDerWaalsContact O-CB 3.28Å; L1167-L1171 WeakPolarHBondContact O-CB 3.49Å; L1167-L1171 WeakPolarHBondContact O-CG 3.04Å; L1167-L1171 PolarHBondContact O-N 3.27Å; S1168-L1171 PolarHBondContact O-N 3.2Å; L1171-G1175 PolarHBondContact O-N 2.97Å; L1171-F1176 HydrophobicContact CB-CB 4.29Å; L1171-F1176 HydrophobicContact CD2-CB 4.38Å; L1171-F1176 HydrophobicContact CD2-CD2 4.42Å; L1171-F1176 HydrophobicContact CD2-CG 4.3Å; L1171-F1176 VanDerWaalsContact O-CB 3.29Å; L1171-F1176 WeakPolarHBondContact O-CB 3.02Å; L1171-F1176 PolarHBondContact O-N 3.41Å; L1171-F1177 HydrophobicContact CB-CE2 3.96Å
1172	W	71.3	Confident	67	Low	180 Å²	180	130.3 Å²	130.3	68%	0.682	62%	0.619	S	S	*	*	H	α-helix	trans	-67.1	-42.8	171.6	-177.5	66.1	0	0	0	112.1	S1168 L1169 A1170 L1174 G1175 F1177	S1168-W1172 VanDerWaalsContact O-CB 3.24Å; S1168-W1172 WeakPolarHBondContact O-CB 3.44Å; S1168-W1172 PolarHBondContact O-N 3.5Å; L1169-W1172 HydrophobicContact CD2-CE3 4.21Å; L1169-W1172 PolarHBondContact O-N 2.99Å; A1170-W1172 VanDerWaalsContact C-N 3.35Å; A1170-W1172 PolarHBondContact O-N 3.38Å; W1172-L1174 VanDerWaalsContact C-N 3.34Å; W1172-G1175 PolarHBondContact O-N 3.27Å; W1172-G1175 VanDerWaalsContact O-N 3.15Å; W1172-F1177 HydrophobicContact CB-CD2 4.14Å
1173	K	73.3	Confident	64.6	Low	186 Å²	186	134.8 Å²	134.8	81%	0.809	63%	0.633	S	S	*	*	H	α-helix	trans	-70.6	-28.6	176.8	-141.1	-174.4	-174.1	-173.8	0	112.9	L1169 A1170 G1175	L1169-K1173 WeakPolarHBondContact O-CB 3.45Å; L1169-K1173 PolarHBondContact O-N 2.05Å; A1170-K1173 PolarHBondContact O-N 3.05Å; K1173-G1175 PolarHBondContact O-N 3.19Å
1174	L	70.4	Confident	62.5	Low	142 Å²	142	134.8 Å²	134.8	74%	0.743	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	6.1	171.9	-69.7	167.5	0	0	0	113.3	A1170 W1172 F1176	A1170-L1174 WeakPolarHBondContact O-CB 3.45Å; A1170-L1174 VanDerWaalsContact O-CG 3.25Å; A1170-L1174 WeakPolarHBondContact O-CG 3.02Å; A1170-L1174 PolarHBondContact O-N 3.05Å; W1172-L1174 VanDerWaalsContact C-N 3.34Å; L1174-F1176 PolarHBondContact O-N 3.29Å
1175	G	60.2	Low	60.1	Low	41 Å²	41	137.9 Å²	137.9	42%	0.423	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	80.8	10.7	169.1	0	0	0	0	0	115.8	L1171 W1172 K1173 F1177 R1178	L1171-G1175 PolarHBondContact O-N 2.97Å; W1172-G1175 PolarHBondContact O-N 3.27Å; W1172-G1175 VanDerWaalsContact O-N 3.15Å; K1173-G1175 PolarHBondContact O-N 3.19Å; G1175-F1177 PolarHBondContact O-N 3.22Å; G1175-R1178 PolarHBondContact O-N 2.94Å
1176	F	59.6	Low	57.8	Low	164 Å²	164	141.8 Å²	141.8	72%	0.719	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-18.3	-173.7	-142.7	-95.1	0	0	0	114.1	L1171 L1174	L1171-F1176 HydrophobicContact CB-CB 4.29Å; L1171-F1176 HydrophobicContact CD2-CB 4.38Å; L1171-F1176 HydrophobicContact CD2-CD2 4.42Å; L1171-F1176 HydrophobicContact CD2-CG 4.3Å; L1171-F1176 VanDerWaalsContact O-CB 3.29Å; L1171-F1176 WeakPolarHBondContact O-CB 3.02Å; L1171-F1176 PolarHBondContact O-N 3.41Å; L1174-F1176 PolarHBondContact O-N 3.29Å
1177	F	61.3	Low	55.4	Low	133 Å²	133	144.4 Å²	144.4	58%	0.583	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	9.4	-179.7	-64.6	-76.3	0	0	0	114.6	L1171 W1172 G1175 R1179	L1171-F1177 HydrophobicContact CB-CE2 3.96Å; W1172-F1177 HydrophobicContact CB-CD2 4.14Å; G1175-F1177 PolarHBondContact O-N 3.22Å; F1177-R1179 PolarHBondContact O-N 2.92Å
1178	R	49	Very low	53.2	Low	231 Å²	231	147.1 Å²	147.1	87%	0.872	67%	0.672	S	S	*	*			trans	-88.3	88.7	169.5	-80.1	-171.8	175	-177	-0.3	110.3	G1175	G1175-R1178 PolarHBondContact O-N 2.94Å
1179	R	44.5	Very low	51	Low	243 Å²	243	152.7 Å²	152.7	92%	0.917	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-83.5	116.4	172.4	-156	175.3	-173.6	-177.8	2	110.4	F1177	F1177-R1179 PolarHBondContact O-N 2.92Å
1180	Q	39.3	Very low	48.8	Very low	190 Å²	190	151.6 Å²	151.6	89%	0.888	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-75	136.9	164.6	-128.3	170.5	-9.1	0	0	109.3
1181	K	37	Very low	46.5	Very low	195 Å²	195	157.1 Å²	157.1	85%	0.848	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-68.5	133.6	-173.6	-110.5	173.8	174.7	174.4	0	112.9
1182	R	34.9	Very low	44.4	Very low	185 Å²	185	157.3 Å²	157.3	70%	0.698	74%	0.739	S	S	*	*				64.6	126.2	126.8	-132.5	-179.7	-178.2	170	4.3	119.6	D1184	R1182-D1184 IonicContact CZ-OD2 3.39Å; R1182-D1184 IonicContact NE-OD2 3.81Å; R1182-D1184 PolarHBondContact NE-OD2 2.81Å; R1182-D1184 IonicContact NH2-OD2 2.68Å; R1182-D1184 PolarHBondContact NH2-OD2 3.08Å; R1182-D1184 VanDerWaalsContact NH2-OD2 3.08Å
1183	K	33.8	Very low	42.6	Very low	212 Å²	212	158.4 Å²	158.4	92%	0.922	75%	0.748	S	S	*	*				-155.2	126.5	109.5	-108	177.3	-177.5	-179	0	111.2
1184	D	40.2	Very low	40.9	Very low	110 Å²	110	155.6 Å²	155.6	59%	0.588	75%	0.746	S	S	*	*			trans	-72.8	146.2	179.2	-57.2	-43.9	0	0	0	110.8	R1182	R1182-D1184 IonicContact CZ-OD2 3.39Å; R1182-D1184 IonicContact NE-OD2 3.81Å; R1182-D1184 PolarHBondContact NE-OD2 2.81Å; R1182-D1184 IonicContact NH2-OD2 2.68Å; R1182-D1184 PolarHBondContact NH2-OD2 3.08Å; R1182-D1184 VanDerWaalsContact NH2-OD2 3.08Å
1185	K	32.1	Very low	39.4	Very low	172 Å²	172	152.3 Å²	152.3	75%	0.748	74%	0.74	S	S	*	*				-174.6	132.4	129.7	-106.7	178.7	172.5	-120.4	0	113.7
1186	E	33.3	Very low	38.3	Very low	135 Å²	135	158.6 Å²	158.6	63%	0.631	76%	0.758	S	S	*	*			trans	77	100.3	140	-73.8	158.5	-167	0	0	120.8
1187	E	33.5	Very low	37.3	Very low	161 Å²	161	159 Å²	159	75%	0.752	76%	0.763	S	S	*	*				68.5	130.5	111	-87.9	179.2	160.5	0	0	123.5
1188	Q	32.4	Very low	36	Very low	148 Å²	148	168 Å²	168	69%	0.692	79%	0.793	S	S	*	*			trans	100.1	115.3	135.6	-83	177.6	-20.4	0	0	122.1
1189	E	31.9	Very low	35.3	Very low	166 Å²	166	164.9 Å²	164.9	78%	0.776	79%	0.789	S	S	*	*				84.4	112.5	126.7	-80.4	-178.4	173.6	0	0	123.3
1190	A	33.8	Very low	34.8	Very low	80 Å²	80	160.8 Å²	160.8	66%	0.661	78%	0.782	S	S	*	*				91	138.8	112.6	0	0	0	0	0	122.3
1191	N	30.3	Very low	34.6	Very low	162 Å²	162	159.2 Å²	159.2	87%	0.866	78%	0.776	S	S	*	*			trans	76.8	115.8	146.2	-74.2	-16.7	0	0	0	121
1192	G	31.5	Very low	34.5	Very low	68 Å²	68	157.1 Å²	157.1	70%	0.701	77%	0.772	S	S	*	*				95	113	80.2	0	0	0	0	0	118
1193	K	32.8	Very low	34.4	Very low	202 Å²	202	155.3 Å²	155.3	88%	0.878	78%	0.777	S	S	*	*			trans	60.8	128	131.9	-83.6	-167.7	173.2	-178	0	122.3
1194	V	38.3	Very low	34.5	Very low	127 Å²	127	151.5 Å²	151.5	77%	0.77	77%	0.767	S	S	*	*				91.2	138.4	121.3	171.6	0	0	0	0	120.6
1195	A	36.9	Very low	34.1	Very low	74 Å²	74	154.5 Å²	154.5	61%	0.612	78%	0.78	S	S	*	*			trans	95.6	118.8	144.7	0	0	0	0	0	121.6
1196	E	38.4	Very low	34.2	Very low	172 Å²	172	153.2 Å²	153.2	80%	0.804	78%	0.782	S	S	*	*				71.3	126.9	124.3	-75.3	176.5	153.8	0	0	123.2
1197	E	38.3	Very low	34.3	Very low	174 Å²	174	154.7 Å²	154.7	81%	0.813	80%	0.795	S	S	*	*			trans	49	112.3	136.5	-66.2	-169.8	156.3	0	0	120.3
1198	R	33.4	Very low	34.4	Very low	322 Å²	322	154.1 Å²	154.1	100%	1.215	80%	0.799	S	S	*	*				-163	0	100.2	-108.9	179.3	-178.8	176.8	1.5	112.5

Retrieved 1,198 of 1,198 residues in 841.6 ms (Link to these results)

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