A0A087XQ08_POEFO Loading...

Integrin beta

AlphaFold DB , UniProt , Accession A0A087XQ08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 807 aa.

						>A0A087XQ08_POEFO|A0A087XQ08
MDLKLIFIAFIGLFYCCNSQKEGNECINKNAKHCGECIQAGAKCGWCTDPDFLKQGETVSSRCDELQSLIKRGCNETLIENPLGKRTILKNNPVTDRSKAKAETENQKLKPEEITQVQPQKVSLTLRSGEPQSFELKFKRAEDYPIDLYYLMDLSYSMKDDLENVKNLGTSLMNEMSKITSDFKIGFGSFVEKTVMPYISTTPAKLLNPCTGDQNCTSPFSYKNVLPLTNNGATFNTLVGEQQISGNLDSPEGGFDAIMQVAVCGEQIGWRNVTRLLVFSTDAGFHFAGDGKLGGIVLPNDGKCHLENNIYTMSHYYDYPSIAHLVQKLSDNNIQTIFAVTEEFQPVYQELKNLIPKSAVGTLSANSSNVINLIIDAYNALSSEVILENTKVSNNVTIEYTSRCKNGVINKGENGRKCSNISIGDEVHFNISITSKGCPNNTSPEIIKIKPLGFTEEVEIILHFICECDCHSEAVNNSQVCSNGNGTYECGACRCKEGRVGRECECSSNEVSTEDMDRTCRKDNGTDICSNNGECVCGTCECKARENPEERYSGQFCECDNFNCDRSGNKLCGGHGRCECRKCICDPMWNGTACDCSLDESTCLASNKQICNGRGRCECGVCKCDDLKFQGPKCETCPTCPSACAEHKDCVECRMFLTGVKKDVCEEECNYFTMRKVDTKDKFPQPTDKSYPLTHCKEKDANDCWIYYVYTVTNSSEKVVYVLDKPDCPKGPDLIPIVAGVVAGIVLIGLALLLIWKLLMIIHDRREFAKFEKEKMNAKWDTQENPIYKSPINQFQNPNYGRKGAVL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	48.5	Very low	246 Å²	246	132.5 Å²	132.5	100%	1.212	67%	0.665	S	S	*	*				0	113.8	0	-84.5	164.9	60.9	0	0	107.2
2	D	46.5	Very low	47.9	Very low	117 Å²	117	124.7 Å²	124.7	63%	0.626	64%	0.642	S	S	*	*			trans	-80	127.1	-163.8	-112	-48.5	0	0	0	112.8	K4 L5	D2-K4 PolarHBondContact O-N 2.68Å; D2-K4 VanDerWaalsContact O-N 3.09Å; D2-L5 HydrophobicContact CB-CD1 4.42Å; D2-L5 PolarHBondContact O-N 2.69Å; D2-L5 VanDerWaalsContact O-N 3.1Å
3	L	43.4	Very low	47	Very low	143 Å²	143	124.2 Å²	124.2	75%	0.749	64%	0.64	S	S	*	*	H	α-helix	trans	-61.1	-19.6	-180	-150.6	73.3	0	0	0	112.7
4	K	47.3	Very low	46.2	Very low	166 Å²	166	127.4 Å²	127.4	72%	0.722	65%	0.648	S	S	*	*	H	α-helix	trans	-68	-31.2	175.3	-78.1	-175.4	174.4	-179.3	0	113.8	D2 I8	D2-K4 PolarHBondContact O-N 2.68Å; D2-K4 VanDerWaalsContact O-N 3.09Å; K4-I8 WeakPolarHBondContact O-CG1 3.34Å; K4-I8 PolarHBondContact O-N 3.12Å
5	L	47.3	Very low	45.4	Very low	130 Å²	130	132.4 Å²	132.4	68%	0.681	66%	0.657	S	S	*	*	H	α-helix	trans	-72.7	-30.6	179.4	-98.7	127.4	0	0	0	112.3	D2 A9	D2-L5 HydrophobicContact CB-CD1 4.42Å; D2-L5 PolarHBondContact O-N 2.69Å; D2-L5 VanDerWaalsContact O-N 3.1Å; L5-A9 WeakPolarHBondContact O-CB 3.47Å; L5-A9 PolarHBondContact O-N 2.83Å
6	I	55.5	Low	44.5	Very low	98 Å²	98	131.1 Å²	131.1	50%	0.503	66%	0.664	S	S	.	*	H	α-helix	trans	-72.5	-36.9	178.1	-60.4	176	0	0	0	110.4	A9 F10	I6-A9 PolarHBondContact O-N 2.94Å; I6-F10 HydrophobicContact CG2-CD2 4.02Å; I6-F10 HydrophobicContact CG2-CE2 4.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.23Å; I6-F10 PolarHBondContact O-N 3.25Å
7	F	50.9	Low	43.7	Very low	151 Å²	151	129.5 Å²	129.5	66%	0.662	67%	0.666	S	S	*	*	H	α-helix	trans	-70.7	-35.6	179.5	-134.9	-92.7	0	0	0	112.8	F10 I11	F7-F10 PolarHBondContact O-N 3.24Å; F7-I11 HydrophobicContact CD1-CD1 3.85Å; F7-I11 HydrophobicContact CD1-CG1 4.46Å; F7-I11 HydrophobicContact CE1-CD1 4.21Å; F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 3.08Å; F7-I11 VanDerWaalsContact O-N 3.12Å
8	I	53.5	Low	42.8	Very low	126 Å²	126	130.9 Å²	130.9	65%	0.646	68%	0.675	S	S	*	*	H	α-helix	trans	-70.2	-36.3	175.3	-63.7	168.4	0	0	0	110.8	K4 G12	K4-I8 WeakPolarHBondContact O-CG1 3.34Å; K4-I8 PolarHBondContact O-N 3.12Å; I8-G12 PolarHBondContact O-N 3.18Å; I8-G12 VanDerWaalsContact O-N 3.09Å
9	A	52.2	Low	42.1	Very low	55 Å²	55	130.1 Å²	130.1	46%	0.455	68%	0.681	S	S	.	*	H	α-helix	trans	-66.4	-37.7	174.1	0	0	0	0	0	112.5	L5 I6 G12 L13	L5-A9 WeakPolarHBondContact O-CB 3.47Å; L5-A9 PolarHBondContact O-N 2.83Å; I6-A9 PolarHBondContact O-N 2.94Å; A9-G12 PolarHBondContact O-N 3.14Å; A9-L13 PolarHBondContact O-N 2.64Å; A9-L13 VanDerWaalsContact O-N 3.1Å
10	F	46.2	Very low	41.6	Very low	133 Å²	133	131.3 Å²	131.3	58%	0.583	68%	0.684	S	S	*	*	H	α-helix	trans	-71.5	-33.9	177.7	-99.8	-85.3	0	0	0	113.7	I6 F7 L13 F14	I6-F10 HydrophobicContact CG2-CD2 4.02Å; I6-F10 HydrophobicContact CG2-CE2 4.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.23Å; I6-F10 PolarHBondContact O-N 3.25Å; F7-F10 PolarHBondContact O-N 3.24Å; F10-L13 PolarHBondContact O-N 3.07Å; F10-F14 PolarHBondContact O-N 2.66Å
11	I	49.6	Very low	41.3	Very low	93 Å²	93	135 Å²	135	48%	0.477	69%	0.694	S	S	.	*	H	α-helix	trans	-72.6	-34.6	174.6	-65.6	168.1	0	0	0	110.9	F7 F14 Y15	F7-I11 HydrophobicContact CD1-CD1 3.85Å; F7-I11 HydrophobicContact CD1-CG1 4.46Å; F7-I11 HydrophobicContact CE1-CD1 4.21Å; F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 3.08Å; F7-I11 VanDerWaalsContact O-N 3.12Å; I11-F14 PolarHBondContact O-N 2.85Å; I11-Y15 HydrophobicContact CG2-CD2 4.39Å; I11-Y15 PolarHBondContact O-N 3.47Å
12	G	40.4	Very low	41.4	Very low	38 Å²	38	128.6 Å²	128.6	39%	0.392	66%	0.661	S	S	.	*	H	α-helix	trans	-66.1	-33.9	173	0	0	0	0	0	113.7	I8 A9	I8-G12 PolarHBondContact O-N 3.18Å; I8-G12 VanDerWaalsContact O-N 3.09Å; A9-G12 PolarHBondContact O-N 3.14Å
13	L	37.4	Very low	41.7	Very low	118 Å²	118	124.1 Å²	124.1	62%	0.618	64%	0.643	S	S	*	*	H	α-helix	trans	-74	-29.6	176.4	-94.3	148.4	0	0	0	113.4	A9 F10	A9-L13 PolarHBondContact O-N 2.64Å; A9-L13 VanDerWaalsContact O-N 3.1Å; F10-L13 PolarHBondContact O-N 3.07Å
14	F	34.8	Very low	43.1	Very low	169 Å²	169	118.9 Å²	118.9	74%	0.741	62%	0.616	S	S	*	*	H	α-helix	trans	-78.8	-24.9	175	-102.3	-85.8	0	0	0	113.7	F10 I11	F10-F14 PolarHBondContact O-N 2.66Å; I11-F14 PolarHBondContact O-N 2.85Å
15	Y	34.3	Very low	44.8	Very low	203 Å²	203	115.6 Å²	115.6	80%	0.796	60%	0.603	S	S	*	*	H	α-helix	trans	-81.9	-15.2	176.4	-100.3	-89.5	0	0	0	114.4	I11	I11-Y15 HydrophobicContact CG2-CD2 4.39Å; I11-Y15 PolarHBondContact O-N 3.47Å
16	C	31.7	Very low	46.7	Very low	112 Å²	112	109.4 Å²	109.4	76%	0.757	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	4.7	178.6	-76.4	0	0	0	0	114.7
17	C	30.4	Very low	47.9	Very low	104 Å²	104	107.7 Å²	107.7	70%	0.703	56%	0.562	S	S	*	*			trans	-116.2	24.2	-179.6	-80.5	0	0	0	0	114.7	S19	C17-S19 VanDerWaalsContact C-N 3.32Å; C17-S19 PolarHBondContact O-N 3.25Å
18	N	27.9	Very low	49.3	Very low	155 Å²	155	105.3 Å²	105.3	83%	0.829	56%	0.556	S	S	*	*			trans	-91.6	77.2	154.5	-87.8	-17.2	0	0	0	108.4	Q20	N18-Q20 PolarHBondContact O-N 3.09Å; N18-Q20 VanDerWaalsContact O-N 3.08Å
19	S	29.8	Very low	50.6	Low	114 Å²	114	104.7 Å²	104.7	80%	0.797	55%	0.549	S	S	*	.			trans	-60.9	110.1	159	-162.9	0	0	0	0	106.1	C17 K21	C17-S19 VanDerWaalsContact C-N 3.32Å; C17-S19 PolarHBondContact O-N 3.25Å; S19-K21 PolarHBondContact O-N 3.3Å; S19-K21 VanDerWaalsContact O-N 3.11Å
20	Q	32.3	Very low	52.1	Low	155 Å²	155	106.3 Å²	106.3	72%	0.724	55%	0.55	S	S	*	.			trans	-52	121.6	167.8	-78.5	171.5	-73.4	0	0	106.8	N18 E22	N18-Q20 PolarHBondContact O-N 3.09Å; N18-Q20 VanDerWaalsContact O-N 3.08Å; Q20-E22 HydrophobicContact CB-CG 3.89Å; Q20-E22 PolarHBondContact O-N 3.25Å
21	K	34.6	Very low	54	Low	208 Å²	208	100 Å²	100	90%	0.904	52%	0.522	S	S	*	.			trans	-65.1	90.3	159.5	-77.3	-177.6	174.7	-176.8	0	105.3	S19 G23	S19-K21 PolarHBondContact O-N 3.3Å; S19-K21 VanDerWaalsContact O-N 3.11Å; K21-G23 PolarHBondContact O-N 3.38Å
22	E	43.4	Very low	55.8	Low	112 Å²	112	101.9 Å²	101.9	52%	0.523	53%	0.526	S	S	.	.			trans	-77.1	95.2	179.8	-79.4	-175.4	153.4	0	0	108.6	Q20 P548	Q20-E22 HydrophobicContact CB-CG 3.89Å; Q20-E22 PolarHBondContact O-N 3.25Å; E22-P548 WeakPolarHBondContact O-CD 3.38Å
23	G	53.3	Low	58.1	Low	23 Å²	23	101.8 Å²	101.8	24%	0.237	52%	0.516	C	S	.	.	S	Bend	trans	-172.8	127.7	159.2	0	0	0	0	0	109.6	K21 N28	K21-G23 PolarHBondContact O-N 3.38Å; G23-N28 PolarHBondContact O-ND2 3.04Å; G23-N28 VanDerWaalsContact O-ND2 3.16Å
24	N	73.4	Confident	60.8	Low	34 Å²	34	96.4 Å²	96.4	18%	0.182	49%	0.488	C	S	.	.			trans	-72.6	153.7	-177.4	75.2	29.7	0	0	0	111.3	C26 I27 N28 D64 E65	N24-C26 PolarHBondContact O-N 3.2Å; N24-C26 PolarHBondContact OD1-N 3.12Å; N24-I27 PolarHBondContact O-N 3.43Å; N24-I27 VanDerWaalsContact OD1-CG1 3.28Å; N24-I27 WeakPolarHBondContact OD1-CG1 3.22Å; N24-I27 PolarHBondContact OD1-N 3.46Å; N24-N28 VanDerWaalsContact O-CG 3.32Å; N24-N28 PolarHBondContact O-N 3.2Å; N24-N28 PolarHBondContact O-ND2 3.22Å; N24-D64 PolarHBondContact ND2-OD1 2.79Å; N24-E65 HydrophobicContact CB-CG 4.24Å; N24-E65 WeakPolarHBondContact CB-OE1 3.43Å
25	E	82.3	Confident	63.4	Low	96 Å²	96	88.4 Å²	88.4	45%	0.449	45%	0.453	S	S	.	.	H	α-helix	trans	-60.5	-27.3	-175.1	63.7	-172.1	-179.7	0	0	113.4	K29 G41	E25-K29 PolarHBondContact O-N 3.42Å; E25-G41 WeakPolarHBondContact OE1-CA 3.38Å
26	C	86.3	Confident	66.1	Low	0 Å²	0	82.6 Å²	82.6	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-70.6	-49.6	-177.9	-50.2	0	0	0	0	111.9	N24 K29 C44	N24-C26 PolarHBondContact O-N 3.2Å; N24-C26 PolarHBondContact OD1-N 3.12Å; C26-K29 WeakPolarHBondContact O-CB 3.37Å; C26-K29 PolarHBondContact O-N 2.89Å; C26-C44 WeakPolarHBondContact CA-SG 3.31Å; C26-C44 HydrophobicContact CB-CB 3.74Å; C26-C44 WeakPolarHBondContact CB-SG 3.22Å; C26-C44 WeakPolarHBondContact SG-CA 3.34Å; C26-C44 WeakPolarHBondContact SG-CB 3.49Å; C26-C44 CovalentContact SG-SG 2.03Å; C26-C44 PolarHBondContact SG-SG 2.88Å
27	I	82.1	Confident	69	Low	63 Å²	63	77.3 Å²	77.3	32%	0.323	40%	0.397	S	S	.	.	H	α-helix	trans	-68.4	-41.3	179.2	-62.9	166.5	0	0	0	110.2	N24 K29 N30 D64 P548	N24-I27 PolarHBondContact O-N 3.43Å; N24-I27 VanDerWaalsContact OD1-CG1 3.28Å; N24-I27 WeakPolarHBondContact OD1-CG1 3.22Å; N24-I27 PolarHBondContact OD1-N 3.46Å; I27-K29 PolarHBondContact O-N 3.2Å; I27-K29 VanDerWaalsContact O-N 3.15Å; I27-N30 PolarHBondContact O-N 3.12Å; I27-D64 WeakPolarHBondContact CD1-OD1 3.46Å; I27-P548 HydrophobicContact CD1-CB 3.96Å; I27-P548 HydrophobicContact CG2-CB 4.19Å; I27-P548 HydrophobicContact CG2-CG 4.32Å
28	N	79	Confident	72	Confident	100 Å²	100	72.4 Å²	72.4	54%	0.535	36%	0.364	S	S	.	.	H	α-helix	trans	-61.6	-24.5	179.6	-72.5	-23.6	0	0	0	113.2	G23 N24 N30	G23-N28 PolarHBondContact O-ND2 3.04Å; G23-N28 VanDerWaalsContact O-ND2 3.16Å; N24-N28 VanDerWaalsContact O-CG 3.32Å; N24-N28 PolarHBondContact O-N 3.2Å; N24-N28 PolarHBondContact O-ND2 3.22Å; N28-N30 PolarHBondContact O-N 2.85Å
29	K	81.6	Confident	74.9	Confident	114 Å²	114	67.7 Å²	67.7	50%	0.496	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.6	175	-174.2	64.7	175.5	-179.1	0	112.5	E25 C26 I27 A31 A40	E25-K29 PolarHBondContact O-N 3.42Å; C26-K29 WeakPolarHBondContact O-CB 3.37Å; C26-K29 PolarHBondContact O-N 2.89Å; I27-K29 PolarHBondContact O-N 3.2Å; I27-K29 VanDerWaalsContact O-N 3.15Å; K29-A31 HydrophobicContact CG-CB 4.14Å; K29-A31 PolarHBondContact O-N 3.44Å; K29-A40 HydrophobicContact CB-CB 3.65Å; K29-A40 HydrophobicContact CD-CB 4.28Å; K29-A40 HydrophobicContact CG-CB 3.73Å
30	N	83.2	Confident	77.7	Confident	89 Å²	89	63.3 Å²	63.3	48%	0.476	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.4	-173.7	-164.4	25	0	0	0	112.3	I27 N28 K32 S60	I27-N30 PolarHBondContact O-N 3.12Å; N28-N30 PolarHBondContact O-N 2.85Å; N30-K32 PolarHBondContact O-N 3.29Å; N30-S60 WeakPolarHBondContact OD1-CB 3.35Å; N30-S60 PolarHBondContact OD1-OG 3.13Å
31	A	86.6	Confident	80.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.			trans	-62.6	127.6	-173.5	0	0	0	0	0	111.5	K29 E36 C37 S60 C63	K29-A31 HydrophobicContact CG-CB 4.14Å; K29-A31 PolarHBondContact O-N 3.44Å; A31-E36 HydrophobicContact CB-CB 3.77Å; A31-C37 HydrophobicContact CB-CB 3.8Å; A31-S60 WeakPolarHBondContact O-CA 3.33Å; A31-S60 VanDerWaalsContact O-CB 3.27Å; A31-S60 WeakPolarHBondContact O-CB 3.23Å; A31-C63 HydrophobicContact CB-CB 4.1Å
32	K	86.3	Confident	82.9	Confident	132 Å²	132	47.7 Å²	47.7	57%	0.574	25%	0.245	S	C	*	.	S	Bend	trans	-88.1	-19.9	178.2	-65.6	-173.7	178.8	-174.5	0	112.8	N30 E36	N30-K32 PolarHBondContact O-N 3.29Å; K32-E36 PolarHBondContact N-OE2 3.19Å
33	H	90.1	Very high	85.1	Confident	37 Å²	37	48.8 Å²	48.8	17%	0.171	25%	0.248	C	C	.	.	S	Bend	trans	-134.1	158.9	-176.2	-53.6	-58.3	0	0	0	110.9	G35 E36 C37 R494	H33-G35 PolarHBondContact O-N 2.99Å; H33-E36 PolarHBondContact O-N 3.13Å; H33-C37 PolarHBondContact O-N 3.25Å; H33-R494 VanDerWaalsContact CE1-CG 3.45Å; H33-R494 WeakPolarHBondContact CE1-CG 3.14Å
34	C	92.4	Very high	87	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.034	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-44.5	-177.1	-165	0	0	0	0	112.5	E36 C37 I38 W46 C468 C490	C34-E36 VanDerWaalsContact C-N 3.35Å; C34-E36 PolarHBondContact O-N 3.49Å; C34-C37 VanDerWaalsContact O-CB 3.29Å; C34-C37 WeakPolarHBondContact O-CB 3.24Å; C34-C37 PolarHBondContact O-N 3.21Å; C34-I38 PolarHBondContact O-N 3.43Å; C34-W46 HydrophobicContact CB-CB 4.23Å; C34-W46 HydrophobicContact CB-CD2 4.01Å; C34-W46 HydrophobicContact CB-CG 3.74Å; C34-W46 WeakPolarHBondContact SG-CB 3.14Å; C34-C468 HydrophobicContact CB-CB 3.82Å; C34-C468 WeakPolarHBondContact CB-SG 3.48Å; C34-C468 PolarHBondContact O-SG 3.19Å; C34-C468 WeakPolarHBondContact SG-CB 3.48Å; C34-C468 CovalentContact SG-SG 2.01Å; C34-C468 PolarHBondContact SG-SG 3.36Å; C34-C490 HydrophobicContact CB-CB 3.92Å
35	G	91	Very high	87.9	Confident	1 Å²	1	46 Å²	46	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-57.3	-41.8	176.9	0	0	0	0	0	114	H33 C37 I38 Q39 C466 E467	H33-G35 PolarHBondContact O-N 2.99Å; G35-C37 VanDerWaalsContact C-N 3.28Å; G35-C37 PolarHBondContact O-N 3.06Å; G35-I38 VanDerWaalsContact O-CG1 3.31Å; G35-I38 WeakPolarHBondContact O-CG1 3.33Å; G35-Q39 WeakPolarHBondContact O-CB 3.5Å; G35-Q39 VanDerWaalsContact O-CG 3.23Å; G35-Q39 WeakPolarHBondContact O-CG 3.48Å; G35-Q39 PolarHBondContact O-N 3.05Å; G35-Q39 PolarHBondContact O-NE2 3.42Å; G35-C466 VanDerWaalsContact CA-O 3.26Å; G35-C466 WeakPolarHBondContact CA-O 3.49Å; G35-E467 WeakPolarHBondContact CA-OE2 3.32Å
36	E	91.1	Very high	88.5	Confident	81 Å²	81	41.6 Å²	41.6	38%	0.379	21%	0.207	S	C	.	.	H	α-helix	trans	-65.1	-34.4	176.3	-65.8	-178.9	167.9	0	0	112.2	A31 K32 H33 C34 A40	A31-E36 HydrophobicContact CB-CB 3.77Å; K32-E36 PolarHBondContact N-OE2 3.19Å; H33-E36 PolarHBondContact O-N 3.13Å; C34-E36 VanDerWaalsContact C-N 3.35Å; C34-E36 PolarHBondContact O-N 3.49Å; E36-A40 PolarHBondContact O-N 3.32Å
37	C	92.4	Very high	89	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-69.3	-50.6	180	-177.8	0	0	0	0	112	A31 H33 C34 G35 Q39 A40 C44 G45 W46 C63	A31-C37 HydrophobicContact CB-CB 3.8Å; H33-C37 PolarHBondContact O-N 3.25Å; C34-C37 VanDerWaalsContact O-CB 3.29Å; C34-C37 WeakPolarHBondContact O-CB 3.24Å; C34-C37 PolarHBondContact O-N 3.21Å; G35-C37 VanDerWaalsContact C-N 3.28Å; G35-C37 PolarHBondContact O-N 3.06Å; C37-Q39 PolarHBondContact O-N 3.05Å; C37-A40 WeakPolarHBondContact O-CB 3.4Å; C37-A40 PolarHBondContact O-N 3.19Å; C37-C44 WeakPolarHBondContact O-CB 3.31Å; C37-G45 PolarHBondContact SG-O 2.86Å; C37-W46 HydrophobicContact CB-CE3 3.78Å; C37-W46 HydrophobicContact CB-CZ3 4.44Å; C37-C63 WeakPolarHBondContact CA-SG 3.24Å; C37-C63 HydrophobicContact CB-CB 3.68Å; C37-C63 WeakPolarHBondContact CB-SG 3.3Å; C37-C63 WeakPolarHBondContact SG-CA 3.32Å; C37-C63 WeakPolarHBondContact SG-CB 3.33Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.48Å
38	I	91.9	Very high	89.6	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-68.1	-21.4	-178.7	62.3	168.2	0	0	0	112.5	C34 G35 P82 I465 E467 C468	C34-I38 PolarHBondContact O-N 3.43Å; G35-I38 VanDerWaalsContact O-CG1 3.31Å; G35-I38 WeakPolarHBondContact O-CG1 3.33Å; I38-P82 HydrophobicContact CB-CG 4.43Å; I38-P82 HydrophobicContact CD1-CG 3.68Å; I38-P82 HydrophobicContact CG2-CG 4.14Å; I38-I465 HydrophobicContact CD1-CG2 3.89Å; I38-E467 VanDerWaalsContact CD1-C 3.43Å; I38-E467 WeakPolarHBondContact CD1-O 3.49Å; I38-C468 VanDerWaalsContact CG2-SG 3.6Å
39	Q	90.4	Very high	90.3	Very high	56 Å²	56	36.5 Å²	36.5	26%	0.262	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.3	172.3	-72.4	-179.4	57.8	0	0	113.4	G35 C37 G41 S128 C466	G35-Q39 WeakPolarHBondContact O-CB 3.5Å; G35-Q39 VanDerWaalsContact O-CG 3.23Å; G35-Q39 WeakPolarHBondContact O-CG 3.48Å; G35-Q39 PolarHBondContact O-N 3.05Å; G35-Q39 PolarHBondContact O-NE2 3.42Å; C37-Q39 PolarHBondContact O-N 3.05Å; Q39-G41 VanDerWaalsContact C-N 3.33Å; Q39-S128 WeakPolarHBondContact O-CB 3.37Å; Q39-S128 PolarHBondContact O-OG 3.12Å; Q39-C466 PolarHBondContact NE2-O 2.96Å
40	A	88.8	Confident	90.5	Very high	23 Å²	23	34.6 Å²	34.6	19%	0.19	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-36.7	179.7	0	0	0	0	0	112.4	K29 E36 C37	K29-A40 HydrophobicContact CB-CB 3.65Å; K29-A40 HydrophobicContact CD-CB 4.28Å; K29-A40 HydrophobicContact CG-CB 3.73Å; E36-A40 PolarHBondContact O-N 3.32Å; C37-A40 WeakPolarHBondContact O-CB 3.4Å; C37-A40 PolarHBondContact O-N 3.19Å
41	G	86	Confident	90.7	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.031	20%	0.195	C	C	.	.			trans	179.9	164.3	-178.4	0	0	0	0	0	113.4	E25 Q39 K43 C44 R127	E25-G41 WeakPolarHBondContact OE1-CA 3.38Å; Q39-G41 VanDerWaalsContact C-N 3.33Å; G41-K43 PolarHBondContact O-N 2.84Å; G41-C44 PolarHBondContact O-N 2.71Å; G41-R127 PolarHBondContact O-NH2 3.11Å
42	A	89.1	Confident	90.9	Very high	32 Å²	32	38.1 Å²	38.1	26%	0.264	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22	-178.3	0	0	0	0	0	113	R127 S128 E130	A42-R127 PolarHBondContact O-NH2 2.99Å; A42-S128 PolarHBondContact N-O 3.08Å; A42-E130 HydrophobicContact CB-CB 3.96Å
43	K	89.9	Confident	90.9	Very high	134 Å²	134	32.8 Å²	32.8	58%	0.583	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.8	-177.7	-63.4	-178.6	-179	177.8	0	114.2	G41 E65 L66	G41-K43 PolarHBondContact O-N 2.84Å; K43-E65 HydrophobicContact CB-CG 4.22Å; K43-E65 WeakPolarHBondContact O-CA 3.4Å; K43-L66 PolarHBondContact O-N 3.42Å
44	C	91.9	Very high	90.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.8	-173.2	-52.3	0	0	0	0	111.5	C26 C37 G41 D64 N81 R127	C26-C44 WeakPolarHBondContact CA-SG 3.31Å; C26-C44 HydrophobicContact CB-CB 3.74Å; C26-C44 WeakPolarHBondContact CB-SG 3.22Å; C26-C44 WeakPolarHBondContact SG-CA 3.34Å; C26-C44 WeakPolarHBondContact SG-CB 3.49Å; C26-C44 CovalentContact SG-SG 2.03Å; C26-C44 PolarHBondContact SG-SG 2.88Å; C37-C44 WeakPolarHBondContact O-CB 3.31Å; G41-C44 PolarHBondContact O-N 2.71Å; C44-D64 CarbonylContact C-O 3.58Å; C44-D64 WeakPolarHBondContact CA-O 3.46Å; C44-N81 PolarHBondContact O-OD1 3.32Å; C44-R127 PolarHBondContact O-NH2 2.76Å
45	G	93.8	Very high	89.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	163.1	169	0	0	0	0	0	110.2	C37 C63 D64 L69 E80	C37-G45 PolarHBondContact SG-O 2.86Å; G45-C63 WeakPolarHBondContact O-CA 3.38Å; G45-D64 PolarHBondContact N-O 3.44Å; G45-D64 PolarHBondContact O-N 3.35Å; G45-L69 WeakPolarHBondContact O-CD1 3.33Å; G45-E80 WeakPolarHBondContact CA-O 3.35Å
46	W	95.4	Very high	88.7	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.011	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.8	172.7	178.2	-89.5	0	0	0	110.8	C34 C37 V59 R62 C63 I79 E80 C490 A492	C34-W46 HydrophobicContact CB-CB 4.23Å; C34-W46 HydrophobicContact CB-CD2 4.01Å; C34-W46 HydrophobicContact CB-CG 3.74Å; C34-W46 WeakPolarHBondContact SG-CB 3.14Å; C37-W46 HydrophobicContact CB-CE3 3.78Å; C37-W46 HydrophobicContact CB-CZ3 4.44Å; W46-V59 HydrophobicContact CH2-CG1 4Å; W46-V59 HydrophobicContact CZ2-CG1 4.4Å; W46-R62 WeakPolarHBondContact CA-O 3.42Å; W46-R62 HydrophobicContact CD2-CB 3.84Å; W46-R62 HydrophobicContact CE3-CB 3.84Å; W46-R62 HydrophobicContact CH2-CB 3.72Å; W46-R62 HydrophobicContact CH2-CG 4.41Å; W46-R62 HydrophobicContact CZ2-CB 3.7Å; W46-R62 VanDerWaalsContact CZ2-CD 3.43Å; W46-R62 HydrophobicContact CZ2-CG 4.18Å; W46-R62 HydrophobicContact CZ3-CB 3.78Å; W46-C63 HydrophobicContact CE3-CB 3.8Å; W46-C63 HydrophobicContact CZ3-CB 3.97Å; W46-I79 WeakPolarHBondContact O-CA 3.37Å; W46-E80 HydrophobicContact CB-CB 4.28Å; W46-E80 PolarHBondContact N-O 3.36Å; W46-E80 PolarHBondContact O-N 3.37Å; W46-C490 PolarHBondContact NE1-O 2.89Å; W46-A492 HydrophobicContact CZ2-CB 4.31Å
47	C	95.8	Very high	88.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.4	177.1	-172.7	0	0	0	0	111.7	F52 R62 L69 C74	C47-F52 HydrophobicContact CB-CD1 3.92Å; C47-F52 HydrophobicContact CB-CD2 4.38Å; C47-F52 HydrophobicContact CB-CE1 4.09Å; C47-F52 HydrophobicContact CB-CG 4.07Å; C47-F52 HydrophobicContact CB-CZ 4.4Å; C47-F52 VanDerWaalsContact SG-CD2 3.56Å; C47-F52 WeakPolarHBondContact SG-CG 3.31Å; C47-R62 PolarHBondContact N-O 2.79Å; C47-R62 PolarHBondContact O-NH1 3.32Å; C47-L69 HydrophobicContact CB-CD1 4.43Å; C47-L69 HydrophobicContact CB-CD2 4.27Å; C47-C74 HydrophobicContact CB-CB 3.93Å; C47-C74 WeakPolarHBondContact CB-SG 3.43Å; C47-C74 WeakPolarHBondContact SG-CB 3.03Å; C47-C74 CovalentContact SG-SG 2.03Å; C47-C74 PolarHBondContact SG-SG 2.96Å
48	T	94.6	Very high	87.6	Confident	21 Å²	21	41.8 Å²	41.8	13%	0.129	22%	0.218	C	C	.	.			trans	-89.2	-4.6	179.3	63.6	0	0	0	0	113.8	P50 L78 E80 C490 G491	T48-P50 WeakPolarHBondContact O-CD 3.32Å; T48-L78 PolarHBondContact N-O 2.96Å; T48-L78 PolarHBondContact OG1-O 3.1Å; T48-E80 HydrophobicContact CG2-CB 4.46Å; T48-E80 HydrophobicContact CG2-CG 3.47Å; T48-E80 VanDerWaalsContact CG2-CG 3.47Å; T48-C490 HydrophobicContact CG2-CB 4.09Å; T48-G491 WeakPolarHBondContact O-CA 3.34Å
49	D	93.4	Very high	87.2	Confident	35 Å²	35	43.3 Å²	43.3	19%	0.187	23%	0.228	C	C	.	.			trans	-62.5	117.4	177.8	-176.9	-10.9	0	0	0	110.9	D51 F52 R62 L78	D49-D51 PolarHBondContact O-N 2.99Å; D49-D51 PolarHBondContact OD1-N 2.79Å; D49-F52 HydrophobicContact CB-CB 4.1Å; D49-F52 VanDerWaalsContact O-CB 3.31Å; D49-F52 WeakPolarHBondContact O-CB 3.2Å; D49-F52 PolarHBondContact O-N 3.21Å; D49-R62 PolarHBondContact O-NH1 3.05Å; D49-R62 PolarHBondContact O-NH2 2.56Å; D49-L78 HydrophobicContact CB-CB 4.29Å; D49-L78 HydrophobicContact CB-CD1 3.7Å
50	P	86.5	Confident	86.9	Confident	74 Å²	74	41.4 Å²	41.4	48%	0.481	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-55	-35.5	-179.4	-25.7	35.4	0	0	0	113.3	T48 R62	T48-P50 WeakPolarHBondContact O-CD 3.32Å; P50-R62 PolarHBondContact O-NH2 2.04Å
51	D	87.9	Confident	86.9	Confident	148 Å²	148	41.7 Å²	41.7	79%	0.791	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-91.8	5.2	-173	-64.7	-37.9	0	0	0	113.4	D49 L53	D49-D51 PolarHBondContact O-N 2.99Å; D49-D51 PolarHBondContact OD1-N 2.79Å; D51-L53 PolarHBondContact O-N 2.83Å
52	F	90.1	Very high	87.1	Confident	15 Å²	15	42 Å²	42	7%	0.066	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-64.4	-39	-177.1	179.2	-111.2	0	0	0	114	C47 D49 K54 S61 R62 L69 R72 C74	C47-F52 HydrophobicContact CB-CD1 3.92Å; C47-F52 HydrophobicContact CB-CD2 4.38Å; C47-F52 HydrophobicContact CB-CE1 4.09Å; C47-F52 HydrophobicContact CB-CG 4.07Å; C47-F52 HydrophobicContact CB-CZ 4.4Å; C47-F52 VanDerWaalsContact SG-CD2 3.56Å; C47-F52 WeakPolarHBondContact SG-CG 3.31Å; D49-F52 HydrophobicContact CB-CB 4.1Å; D49-F52 VanDerWaalsContact O-CB 3.31Å; D49-F52 WeakPolarHBondContact O-CB 3.2Å; D49-F52 PolarHBondContact O-N 3.21Å; F52-K54 PolarHBondContact O-N 3.44Å; F52-S61 WeakPolarHBondContact CE1-O 3.42Å; F52-R62 HydrophobicContact CD1-CG 4.31Å; F52-L69 HydrophobicContact CE1-CD2 4.11Å; F52-L69 HydrophobicContact CZ-CD2 3.75Å; F52-R72 HydrophobicContact CE2-CB 3.88Å; F52-R72 HydrophobicContact CZ-CB 4.02Å; F52-C74 HydrophobicContact CD2-CB 3.81Å; F52-C74 HydrophobicContact CE2-CB 3.69Å
53	L	87	Confident	87.3	Confident	19 Å²	19	40.6 Å²	40.6	10%	0.099	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-78.8	122.7	-173.2	-68.4	178.9	0	0	0	111.5	D51 E57 T58 R62	D51-L53 PolarHBondContact O-N 2.83Å; L53-E57 HydrophobicContact CD2-CB 4.35Å; L53-T58 WeakPolarHBondContact CD2-O 3.39Å; L53-R62 HydrophobicContact CD1-CG 4.13Å; L53-R62 HydrophobicContact CD2-CG 3.91Å; L53-R62 HydrophobicContact CG-CG 4.02Å
54	K	82.8	Confident	87.5	Confident	135 Å²	135	34.7 Å²	34.7	59%	0.587	18%	0.184	S	C	*	.	P	Polyproline II helix	trans	-77.6	165.9	174.1	-61.6	-178.6	-177.8	-180	0	111.2	F52 G56 E57 R502	F52-K54 PolarHBondContact O-N 3.44Å; K54-G56 PolarHBondContact O-N 3.42Å; K54-E57 HydrophobicContact CB-CG 4.2Å; K54-E57 PolarHBondContact N-OE2 2.87Å; K54-E57 PolarHBondContact O-N 3.07Å; K54-R502 PolarHBondContact O-NH2 2.89Å
55	Q	72.6	Confident	87.5	Confident	116 Å²	116	37.4 Å²	37.4	54%	0.542	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	129.3	175.6	-163.6	172.1	10.8	0	0	110.1	Q555	Q55-Q555 HydrophobicContact CG-CB 4.41Å; Q55-Q555 VanDerWaalsContact NE2-CG 3.3Å
56	G	70.6	Confident	87.3	Confident	4 Å²	4	40 Å²	40	4%	0.041	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-13.8	-175.7	0	0	0	0	0	115.6	K54 C540 C542	K54-G56 PolarHBondContact O-N 3.42Å; G56-C540 WeakPolarHBondContact CA-O 3.24Å; G56-C542 PolarHBondContact O-N 3.11Å; G56-C542 PolarHBondContact O-SG 3.02Å
57	E	79.3	Confident	87.1	Confident	30 Å²	30	46.2 Å²	46.2	14%	0.14	24%	0.24	C	C	.	.			trans	-82.3	145.9	178.9	-64.9	-174.6	157.1	0	0	112.1	L53 K54 R72 R502	L53-E57 HydrophobicContact CD2-CB 4.35Å; K54-E57 HydrophobicContact CB-CG 4.2Å; K54-E57 PolarHBondContact N-OE2 2.87Å; K54-E57 PolarHBondContact O-N 3.07Å; E57-R72 VanDerWaalsContact CD-NH2 3.33Å; E57-R72 IonicContact OE1-NH2 3.93Å; E57-R72 PolarHBondContact OE1-NH2 3.05Å; E57-R72 VanDerWaalsContact OE1-NH2 3.17Å; E57-R72 IonicContact OE2-NH2 3.06Å; E57-R72 PolarHBondContact OE2-NH2 3.18Å; E57-R72 VanDerWaalsContact OE2-NH2 3.09Å; E57-R502 PolarHBondContact O-NH2 3.35Å
58	T	81.2	Confident	86.8	Confident	29 Å²	29	48 Å²	48	18%	0.178	25%	0.252	C	S	.	.			trans	-83.1	160.2	177.8	56.1	0	0	0	0	111.8	L53 S60 S61 E541	L53-T58 WeakPolarHBondContact CD2-O 3.39Å; T58-S60 PolarHBondContact O-N 2.92Å; T58-S60 PolarHBondContact OG1-OG 3.28Å; T58-S61 WeakPolarHBondContact O-CB 3.42Å; T58-S61 PolarHBondContact O-N 3.05Å; T58-S61 PolarHBondContact O-OG 3.26Å; T58-S61 PolarHBondContact OG1-OG 2.9Å; T58-E541 HydrophobicContact CG2-CB 4.09Å; T58-E541 HydrophobicContact CG2-CG 4.44Å
59	V	83.9	Confident	86.7	Confident	33 Å²	33	47 Å²	47	20%	0.2	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-56.6	-33.5	173.2	176.4	0	0	0	0	112	W46 S61 R62 A492	W46-V59 HydrophobicContact CH2-CG1 4Å; W46-V59 HydrophobicContact CZ2-CG1 4.4Å; V59-S61 PolarHBondContact O-N 3.29Å; V59-S61 VanDerWaalsContact O-N 3.16Å; V59-R62 VanDerWaalsContact O-CB 3.32Å; V59-R62 WeakPolarHBondContact O-CB 3.34Å; V59-R62 WeakPolarHBondContact O-CG 3.3Å; V59-R62 PolarHBondContact O-N 3.4Å; V59-R62 VanDerWaalsContact O-N 3.09Å; V59-A492 HydrophobicContact CG1-CB 4.21Å
60	S	84.7	Confident	86.6	Confident	16 Å²	16	47.7 Å²	47.7	11%	0.112	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.1	-18.3	176.9	54.4	0	0	0	0	114.8	N30 A31 T58 R62 C63	N30-S60 WeakPolarHBondContact OD1-CB 3.35Å; N30-S60 PolarHBondContact OD1-OG 3.13Å; A31-S60 WeakPolarHBondContact O-CA 3.33Å; A31-S60 VanDerWaalsContact O-CB 3.27Å; A31-S60 WeakPolarHBondContact O-CB 3.23Å; T58-S60 PolarHBondContact O-N 2.92Å; T58-S60 PolarHBondContact OG1-OG 3.28Å; S60-R62 PolarHBondContact O-N 3.18Å; S60-R62 VanDerWaalsContact O-N 3.14Å; S60-C63 WeakPolarHBondContact O-CB 3.16Å; S60-C63 PolarHBondContact O-N 3.41Å
61	S	87.6	Confident	86.7	Confident	28 Å²	28	53.3 Å²	53.3	20%	0.196	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-65.9	-12.6	173.8	-61	0	0	0	0	113.3	F52 T58 V59 R72	F52-S61 WeakPolarHBondContact CE1-O 3.42Å; T58-S61 WeakPolarHBondContact O-CB 3.42Å; T58-S61 PolarHBondContact O-N 3.05Å; T58-S61 PolarHBondContact O-OG 3.26Å; T58-S61 PolarHBondContact OG1-OG 2.9Å; V59-S61 PolarHBondContact O-N 3.29Å; V59-S61 VanDerWaalsContact O-N 3.16Å; S61-R72 PolarHBondContact O-NH1 3.47Å
62	R	92	Very high	86.8	Confident	11 Å²	11	50.2 Å²	50.2	4%	0.042	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-69.5	-20.4	169.7	-65.7	179.2	173.5	-74	-4.4	112.7	W46 C47 D49 P50 F52 L53 V59 S60 G491	W46-R62 WeakPolarHBondContact CA-O 3.42Å; W46-R62 HydrophobicContact CD2-CB 3.84Å; W46-R62 HydrophobicContact CE3-CB 3.84Å; W46-R62 HydrophobicContact CH2-CB 3.72Å; W46-R62 HydrophobicContact CH2-CG 4.41Å; W46-R62 HydrophobicContact CZ2-CB 3.7Å; W46-R62 VanDerWaalsContact CZ2-CD 3.43Å; W46-R62 HydrophobicContact CZ2-CG 4.18Å; W46-R62 HydrophobicContact CZ3-CB 3.78Å; C47-R62 PolarHBondContact N-O 2.79Å; C47-R62 PolarHBondContact O-NH1 3.32Å; D49-R62 PolarHBondContact O-NH1 3.05Å; D49-R62 PolarHBondContact O-NH2 2.56Å; P50-R62 PolarHBondContact O-NH2 2.04Å; F52-R62 HydrophobicContact CD1-CG 4.31Å; L53-R62 HydrophobicContact CD1-CG 4.13Å; L53-R62 HydrophobicContact CD2-CG 3.91Å; L53-R62 HydrophobicContact CG-CG 4.02Å; V59-R62 VanDerWaalsContact O-CB 3.32Å; V59-R62 WeakPolarHBondContact O-CB 3.34Å; V59-R62 WeakPolarHBondContact O-CG 3.3Å; V59-R62 PolarHBondContact O-N 3.4Å; V59-R62 VanDerWaalsContact O-N 3.09Å; S60-R62 PolarHBondContact O-N 3.18Å; S60-R62 VanDerWaalsContact O-N 3.14Å; R62-G491 PolarHBondContact NH2-O 3.36Å
63	C	93.1	Very high	86.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.2	176.3	-173.5	0	0	0	0	111	A31 C37 G45 W46 S60	A31-C63 HydrophobicContact CB-CB 4.1Å; C37-C63 WeakPolarHBondContact CA-SG 3.24Å; C37-C63 HydrophobicContact CB-CB 3.68Å; C37-C63 WeakPolarHBondContact CB-SG 3.3Å; C37-C63 WeakPolarHBondContact SG-CA 3.32Å; C37-C63 WeakPolarHBondContact SG-CB 3.33Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.48Å; G45-C63 WeakPolarHBondContact O-CA 3.38Å; W46-C63 HydrophobicContact CE3-CB 3.8Å; W46-C63 HydrophobicContact CZ3-CB 3.97Å; S60-C63 WeakPolarHBondContact O-CB 3.16Å; S60-C63 PolarHBondContact O-N 3.41Å
64	D	92.6	Very high	87.1	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.053	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	177.2	175.8	-155.1	-20.5	0	0	0	109.6	N24 I27 C44 G45 S68 L69	N24-D64 PolarHBondContact ND2-OD1 2.79Å; I27-D64 WeakPolarHBondContact CD1-OD1 3.46Å; C44-D64 CarbonylContact C-O 3.58Å; C44-D64 WeakPolarHBondContact CA-O 3.46Å; G45-D64 PolarHBondContact N-O 3.44Å; G45-D64 PolarHBondContact O-N 3.35Å; D64-S68 VanDerWaalsContact CG-CB 3.44Å; D64-S68 VanDerWaalsContact OD2-CB 3.28Å; D64-S68 WeakPolarHBondContact OD2-CB 3.49Å; D64-L69 HydrophobicContact CB-CD2 3.65Å; D64-L69 HydrophobicContact CB-CG 3.91Å
65	E	92	Very high	87.6	Confident	57 Å²	57	49.4 Å²	49.4	27%	0.266	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	143.7	167.4	-72.9	-173.8	-177.9	0	0	111	N24 K43 Q67 S68 L69	N24-E65 HydrophobicContact CB-CG 4.24Å; N24-E65 WeakPolarHBondContact CB-OE1 3.43Å; K43-E65 HydrophobicContact CB-CG 4.22Å; K43-E65 WeakPolarHBondContact O-CA 3.4Å; E65-Q67 VanDerWaalsContact C-N 3.26Å; E65-Q67 PolarHBondContact O-N 3.49Å; E65-Q67 VanDerWaalsContact O-N 3.14Å; E65-S68 WeakPolarHBondContact O-CA 3.28Å; E65-S68 WeakPolarHBondContact O-CB 3.39Å; E65-S68 PolarHBondContact O-N 3.36Å; E65-L69 PolarHBondContact O-N 3.32Å
66	L	90.6	Very high	88.5	Confident	55 Å²	55	50.3 Å²	50.3	29%	0.288	26%	0.264	S	S	.	.	H	α-helix	trans	-49.9	-45.1	-176.9	-177.6	63.2	0	0	0	113.2	K43 S68 L69 I70 I79	K43-L66 PolarHBondContact O-N 3.42Å; L66-S68 VanDerWaalsContact C-N 3.35Å; L66-S68 PolarHBondContact O-N 3.4Å; L66-L69 PolarHBondContact O-N 3.47Å; L66-I70 HydrophobicContact CD1-CD1 4.35Å; L66-I70 HydrophobicContact CG-CD1 4.13Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 3.37Å; L66-I70 VanDerWaalsContact O-N 3.16Å; L66-I79 HydrophobicContact CD1-CB 4.19Å; L66-I79 HydrophobicContact CD1-CD1 3.82Å; L66-I79 HydrophobicContact CD1-CG2 3.57Å
67	Q	90.3	Very high	89.5	Confident	134 Å²	134	55.7 Å²	55.7	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-67.1	-35.1	-179.9	-66.2	-62.1	-35.8	0	0	112.6	E65 K71	E65-Q67 VanDerWaalsContact C-N 3.26Å; E65-Q67 PolarHBondContact O-N 3.49Å; E65-Q67 VanDerWaalsContact O-N 3.14Å; Q67-K71 VanDerWaalsContact O-CB 3.32Å; Q67-K71 WeakPolarHBondContact O-CB 3.16Å; Q67-K71 PolarHBondContact O-N 3.17Å
68	S	90.1	Very high	90.2	Very high	38 Å²	38	57.1 Å²	57.1	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-67.7	-41.6	176.5	-61.2	0	0	0	0	111.4	D64 E65 L66 K71 R72	D64-S68 VanDerWaalsContact CG-CB 3.44Å; D64-S68 VanDerWaalsContact OD2-CB 3.28Å; D64-S68 WeakPolarHBondContact OD2-CB 3.49Å; E65-S68 WeakPolarHBondContact O-CA 3.28Å; E65-S68 WeakPolarHBondContact O-CB 3.39Å; E65-S68 PolarHBondContact O-N 3.36Å; L66-S68 VanDerWaalsContact C-N 3.35Å; L66-S68 PolarHBondContact O-N 3.4Å; S68-K71 PolarHBondContact O-N 2.95Å; S68-R72 WeakPolarHBondContact O-CB 3.44Å; S68-R72 VanDerWaalsContact O-CG 3.29Å; S68-R72 WeakPolarHBondContact O-CG 2.97Å; S68-R72 PolarHBondContact O-N 2.89Å
69	L	91.9	Very high	90.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-45.7	175.7	-67.9	-179.4	0	0	0	112	G45 C47 F52 D64 E65 L66 R72 G73 C74 I79	G45-L69 WeakPolarHBondContact O-CD1 3.33Å; C47-L69 HydrophobicContact CB-CD1 4.43Å; C47-L69 HydrophobicContact CB-CD2 4.27Å; F52-L69 HydrophobicContact CE1-CD2 4.11Å; F52-L69 HydrophobicContact CZ-CD2 3.75Å; D64-L69 HydrophobicContact CB-CD2 3.65Å; D64-L69 HydrophobicContact CB-CG 3.91Å; E65-L69 PolarHBondContact O-N 3.32Å; L66-L69 PolarHBondContact O-N 3.47Å; L69-R72 PolarHBondContact O-N 3.5Å; L69-G73 PolarHBondContact O-N 2.88Å; L69-C74 HydrophobicContact CB-CB 4.24Å; L69-C74 WeakPolarHBondContact O-CB 3.4Å; L69-C74 PolarHBondContact O-N 2.84Å; L69-I79 HydrophobicContact CB-CD1 3.89Å; L69-I79 HydrophobicContact CD1-CD1 4.45Å; L69-I79 HydrophobicContact CD1-CG1 4.43Å; L69-I79 HydrophobicContact CD1-CG2 3.92Å
70	I	91.4	Very high	91.3	Very high	49 Å²	49	56.8 Å²	56.8	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-46.7	177.4	-64.3	164.6	0	0	0	110.2	L66 R72 G73 E76 I79	L66-I70 HydrophobicContact CD1-CD1 4.35Å; L66-I70 HydrophobicContact CG-CD1 4.13Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 3.37Å; L66-I70 VanDerWaalsContact O-N 3.16Å; I70-R72 PolarHBondContact O-N 3.13Å; I70-G73 WeakPolarHBondContact O-CA 3.43Å; I70-G73 PolarHBondContact O-N 2.91Å; I70-E76 HydrophobicContact CD1-CG 3.78Å; I70-E76 HydrophobicContact CG1-CG 3.92Å; I70-I79 HydrophobicContact CG1-CD1 3.71Å
71	K	90.1	Very high	91.7	Very high	192 Å²	192	58.1 Å²	58.1	84%	0.835	31%	0.305	S	S	*	.	H	α-helix	trans	-61.3	-31.6	177.5	-173.4	-179.2	177.6	-172.4	0	112.6	Q67 S68 G73	Q67-K71 VanDerWaalsContact O-CB 3.32Å; Q67-K71 WeakPolarHBondContact O-CB 3.16Å; Q67-K71 PolarHBondContact O-N 3.17Å; S68-K71 PolarHBondContact O-N 2.95Å; K71-G73 VanDerWaalsContact C-N 3.26Å; K71-G73 PolarHBondContact O-N 3.32Å
72	R	88.4	Confident	91.9	Very high	82 Å²	82	57.4 Å²	57.4	31%	0.309	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-7.6	175.1	-73.9	177.7	68.4	-166.5	-1.4	113.6	F52 E57 S61 S68 L69 I70	F52-R72 HydrophobicContact CE2-CB 3.88Å; F52-R72 HydrophobicContact CZ-CB 4.02Å; E57-R72 VanDerWaalsContact CD-NH2 3.33Å; E57-R72 IonicContact OE1-NH2 3.93Å; E57-R72 PolarHBondContact OE1-NH2 3.05Å; E57-R72 VanDerWaalsContact OE1-NH2 3.17Å; E57-R72 IonicContact OE2-NH2 3.06Å; E57-R72 PolarHBondContact OE2-NH2 3.18Å; E57-R72 VanDerWaalsContact OE2-NH2 3.09Å; S61-R72 PolarHBondContact O-NH1 3.47Å; S68-R72 WeakPolarHBondContact O-CB 3.44Å; S68-R72 VanDerWaalsContact O-CG 3.29Å; S68-R72 WeakPolarHBondContact O-CG 2.97Å; S68-R72 PolarHBondContact O-N 2.89Å; L69-R72 PolarHBondContact O-N 3.5Å; I70-R72 PolarHBondContact O-N 3.13Å
73	G	90.3	Very high	91.9	Very high	57 Å²	57	62 Å²	62	59%	0.588	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.5	9.4	174.2	0	0	0	0	0	115.1	L69 I70 K71 N75	L69-G73 PolarHBondContact O-N 2.88Å; I70-G73 WeakPolarHBondContact O-CA 3.43Å; I70-G73 PolarHBondContact O-N 2.91Å; K71-G73 VanDerWaalsContact C-N 3.26Å; K71-G73 PolarHBondContact O-N 3.32Å; G73-N75 PolarHBondContact O-N 2.82Å
74	C	94.3	Very high	91.8	Very high	4 Å²	4	62.7 Å²	62.7	3%	0.027	33%	0.332	C	S	.	.			trans	-71.3	127.9	171.2	-167.5	0	0	0	0	109.7	C47 F52 L69 I79	C47-C74 HydrophobicContact CB-CB 3.93Å; C47-C74 WeakPolarHBondContact CB-SG 3.43Å; C47-C74 WeakPolarHBondContact SG-CB 3.03Å; C47-C74 CovalentContact SG-SG 2.03Å; C47-C74 PolarHBondContact SG-SG 2.96Å; F52-C74 HydrophobicContact CD2-CB 3.81Å; F52-C74 HydrophobicContact CE2-CB 3.69Å; L69-C74 HydrophobicContact CB-CB 4.24Å; L69-C74 WeakPolarHBondContact O-CB 3.4Å; L69-C74 PolarHBondContact O-N 2.84Å; C74-I79 HydrophobicContact CB-CD1 4.23Å; C74-I79 HydrophobicContact CB-CG1 4.18Å; C74-I79 VanDerWaalsContact SG-CG1 3.5Å
75	N	93.4	Very high	91.9	Very high	91 Å²	91	68.5 Å²	68.5	49%	0.487	36%	0.357	S	S	.	.			trans	-66.8	135.4	175.8	-171.7	-13	0	0	0	110.2	G73 T77 L78	G73-N75 PolarHBondContact O-N 2.82Å; N75-T77 PolarHBondContact O-N 3.26Å; N75-T77 VanDerWaalsContact O-N 3.1Å; N75-T77 PolarHBondContact OD1-N 3.22Å; N75-L78 HydrophobicContact CB-CD1 4.34Å; N75-L78 HydrophobicContact CB-CG 4.46Å; N75-L78 CarbonylContact O-C 3.53Å; N75-L78 WeakPolarHBondContact O-CA 3.22Å; N75-L78 PolarHBondContact O-N 3.41Å
76	E	91.1	Very high	92.1	Very high	135 Å²	135	72.2 Å²	72.2	63%	0.631	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-53.9	-33.5	-178.3	-68.8	-176.8	-167	0	0	113.4	I70 L78 I79	I70-E76 HydrophobicContact CD1-CG 3.78Å; I70-E76 HydrophobicContact CG1-CG 3.92Å; E76-L78 PolarHBondContact O-N 3.34Å; E76-I79 PolarHBondContact O-N 3.45Å
77	T	91.5	Very high	92.4	Very high	118 Å²	118	72.1 Å²	72.1	72%	0.724	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-71.6	-16.7	177.7	60.6	0	0	0	0	114	N75	N75-T77 PolarHBondContact O-N 3.26Å; N75-T77 VanDerWaalsContact O-N 3.1Å; N75-T77 PolarHBondContact OD1-N 3.22Å
78	L	93.5	Very high	92.7	Very high	60 Å²	60	69.3 Å²	69.3	31%	0.314	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-103.1	15.1	177	-61.4	175.7	0	0	0	111.1	T48 D49 N75 E76	T48-L78 PolarHBondContact N-O 2.96Å; T48-L78 PolarHBondContact OG1-O 3.1Å; D49-L78 HydrophobicContact CB-CB 4.29Å; D49-L78 HydrophobicContact CB-CD1 3.7Å; N75-L78 HydrophobicContact CB-CD1 4.34Å; N75-L78 HydrophobicContact CB-CG 4.46Å; N75-L78 CarbonylContact O-C 3.53Å; N75-L78 WeakPolarHBondContact O-CA 3.22Å; N75-L78 PolarHBondContact O-N 3.41Å; E76-L78 PolarHBondContact O-N 3.34Å
79	I	94.8	Very high	93	Very high	18 Å²	18	71.9 Å²	71.9	9%	0.092	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.2	173.8	-57.3	172.5	0	0	0	109.4	W46 L66 L69 I70 C74 E76	W46-I79 WeakPolarHBondContact O-CA 3.37Å; L66-I79 HydrophobicContact CD1-CB 4.19Å; L66-I79 HydrophobicContact CD1-CD1 3.82Å; L66-I79 HydrophobicContact CD1-CG2 3.57Å; L69-I79 HydrophobicContact CB-CD1 3.89Å; L69-I79 HydrophobicContact CD1-CD1 4.45Å; L69-I79 HydrophobicContact CD1-CG1 4.43Å; L69-I79 HydrophobicContact CD1-CG2 3.92Å; I70-I79 HydrophobicContact CG1-CD1 3.71Å; C74-I79 HydrophobicContact CB-CD1 4.23Å; C74-I79 HydrophobicContact CB-CG1 4.18Å; C74-I79 VanDerWaalsContact SG-CG1 3.5Å; E76-I79 PolarHBondContact O-N 3.45Å
80	E	94.5	Very high	93.2	Very high	36 Å²	36	77 Å²	77	17%	0.168	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120	171.8	-72.6	-77.8	163.5	0	0	109.6	G45 W46 T48 C468 D469 C470	G45-E80 WeakPolarHBondContact CA-O 3.35Å; W46-E80 HydrophobicContact CB-CB 4.28Å; W46-E80 PolarHBondContact N-O 3.36Å; W46-E80 PolarHBondContact O-N 3.37Å; T48-E80 HydrophobicContact CG2-CB 4.46Å; T48-E80 HydrophobicContact CG2-CG 3.47Å; T48-E80 VanDerWaalsContact CG2-CG 3.47Å; E80-C468 HydrophobicContact CB-CB 4.13Å; E80-C468 HydrophobicContact CG-CB 4.23Å; E80-D469 PolarHBondContact OE2-N 3.09Å; E80-C470 HydrophobicContact CG-CB 4.33Å; E80-C470 WeakPolarHBondContact CG-SG 3.21Å; E80-C470 VanDerWaalsContact OE1-CB 3.27Å; E80-C470 WeakPolarHBondContact OE1-CB 3.44Å; E80-C470 PolarHBondContact OE1-N 3.37Å; E80-C470 PolarHBondContact OE1-SG 3.45Å
81	N	92.2	Very high	93.4	Very high	45 Å²	45	78.4 Å²	78.4	24%	0.241	40%	0.399	C	S	.	.			trans	-150.9	64.4	-177.4	-173.2	42.2	0	0	0	110.1	C44 L83 R127	C44-N81 PolarHBondContact O-OD1 3.32Å; N81-L83 PolarHBondContact O-N 2.84Å; N81-R127 PolarHBondContact OD1-NH1 2.8Å; N81-R127 PolarHBondContact OD1-NH2 2.9Å
82	P	92.3	Very high	93.5	Very high	12 Å²	12	72.7 Å²	72.7	8%	0.078	38%	0.378	C	S	.	.			trans	-62.4	134.3	-177.3	28.2	-35.7	0	0	0	110	I38 R127 I465	I38-P82 HydrophobicContact CB-CG 4.43Å; I38-P82 HydrophobicContact CD1-CG 3.68Å; I38-P82 HydrophobicContact CG2-CG 4.14Å; P82-R127 WeakPolarHBondContact O-CD 3.41Å; P82-R127 PolarHBondContact O-NH1 3.43Å; P82-I465 HydrophobicContact CB-CD1 4.42Å; P82-I465 HydrophobicContact CB-CG2 3.85Å; P82-I465 HydrophobicContact CG-CG2 3.71Å
83	L	91	Very high	93.6	Very high	109 Å²	109	73.3 Å²	73.3	57%	0.571	39%	0.392	S	S	*	.			trans	-106.9	149.4	-176.1	-63.9	177.4	0	0	0	111.4	N81 I465	N81-L83 PolarHBondContact O-N 2.84Å; L83-I465 WeakPolarHBondContact O-CD1 3.22Å
84	G	92.3	Very high	93.6	Very high	15 Å²	15	71.6 Å²	71.6	16%	0.155	37%	0.37	C	S	.	.			trans	-60.9	154.7	171.1	0	0	0	0	0	112.5	T125 E130	G84-T125 CarbonylContact C-O 3.5Å; G84-T125 WeakPolarHBondContact CA-O 3.05Å; G84-E130 PolarHBondContact N-OE1 2.89Å; G84-E130 PolarHBondContact N-OE2 3.04Å
85	K	94.8	Very high	93.2	Very high	132 Å²	132	72.7 Å²	72.7	57%	0.574	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.4	-178.8	-174.9	176.8	177.6	179.1	0	111.4	T125	K85-T125 PolarHBondContact N-O 3.49Å; K85-T125 PolarHBondContact O-N 3.45Å
86	R	95.9	Very high	92.3	Very high	134 Å²	134	70.4 Å²	70.4	51%	0.506	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131	169.7	178.6	-166.2	76.4	-148.7	3.7	111	V122 L124 S133	R86-V122 HydrophobicContact CG-CG1 4.28Å; R86-L124 HydrophobicContact CB-CD2 3.97Å; R86-L124 HydrophobicContact CG-CD2 3.71Å; R86-S133 VanDerWaalsContact CD-O 3.3Å; R86-S133 WeakPolarHBondContact CD-O 2.98Å; R86-S133 PolarHBondContact NH1-O 3.37Å
87	T	96.6	Very high	91.2	Very high	53 Å²	53	65.5 Å²	65.5	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.9	171.2	-49.3	0	0	0	0	110.3	L89 S123	T87-L89 HydrophobicContact CG2-CD2 4.05Å; T87-S123 PolarHBondContact N-O 2.86Å; T87-S123 PolarHBondContact O-N 2.01Å
88	I	96.4	Very high	89.7	Confident	75 Å²	75	63.2 Å²	63.2	39%	0.385	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119	174.1	-55.4	175.3	0	0	0	107.9	N91 P119	I88-N91 HydrophobicContact CG2-CB 3.71Å; I88-P119 HydrophobicContact CG2-CB 3.65Å; I88-P119 HydrophobicContact CG2-CG 4.29Å
89	L	96.6	Very high	87.7	Confident	93 Å²	93	67 Å²	67	49%	0.487	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-34.5	-175.1	-60.9	-179	0	0	0	112.7	T87 K121 I461	T87-L89 HydrophobicContact CG2-CD2 4.05Å; L89-K121 HydrophobicContact CB-CB 4.18Å; L89-K121 HydrophobicContact CB-CD 4.42Å; L89-K121 HydrophobicContact CB-CG 4.07Å; L89-K121 HydrophobicContact CD1-CD 4.35Å; L89-K121 HydrophobicContact CD1-CG 4.18Å; L89-K121 PolarHBondContact N-O 3.48Å; L89-I461 HydrophobicContact CD1-CD1 4.15Å
90	K	95.9	Very high	85.7	Confident	106 Å²	106	67.9 Å²	67.9	46%	0.461	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	123.4	176.7	-168	-179.7	175.6	-176.2	0	110	P119 Q120 K121	K90-P119 WeakPolarHBondContact O-CB 3.23Å; K90-Q120 HydrophobicContact CB-CB 4.39Å; K90-Q120 HydrophobicContact CD-CB 4.1Å; K90-Q120 HydrophobicContact CG-CB 4.26Å; K90-Q120 PolarHBondContact O-N 2.82Å; K90-Q120 PolarHBondContact O-OE1 3.29Å; K90-K121 HydrophobicContact CB-CB 3.69Å; K90-K121 PolarHBondContact N-O 3.02Å; K90-K121 VanDerWaalsContact N-O 3.1Å; K90-K121 PolarHBondContact O-N 1.99Å; K90-K121 VanDerWaalsContact O-N 3.15Å
91	N	95.4	Very high	83.5	Confident	80 Å²	80	74.4 Å²	74.4	43%	0.428	38%	0.381	S	S	.	.			trans	-141.5	54.1	-169.4	-165.2	24.9	0	0	0	112.9	I88 Q118 P119	I88-N91 HydrophobicContact CG2-CB 3.71Å; N91-Q118 WeakPolarHBondContact OD1-CG 2.86Å; N91-Q118 PolarHBondContact OD1-NE2 3.44Å; N91-P119 HydrophobicContact CB-CB 4.39Å
92	N	92.3	Very high	81.4	Confident	72 Å²	72	76.4 Å²	76.4	39%	0.385	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-62.4	133.4	173.3	-62.4	-8.2	0	0	0	109.2	T115 Q118 Q120	N92-T115 HydrophobicContact CB-CG2 4.3Å; N92-Q118 WeakPolarHBondContact O-CG 2.99Å; N92-Q120 PolarHBondContact O-NE2 2.9Å
93	P	91.5	Very high	79.4	Confident	94 Å²	94	84 Å²	84	61%	0.61	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-67.9	150	178.9	29.1	-34.4	0	0	0	111	T95	P93-T95 PolarHBondContact O-N 3.32Å
94	V	90	Very high	77.3	Confident	21 Å²	21	82.7 Å²	82.7	13%	0.127	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-60.4	137.2	171.1	-64	0	0	0	0	110.8	D96 T115 Q118 K137 K139	V94-D96 PolarHBondContact O-N 3.48Å; V94-T115 CarbonylContact C-O 3.57Å; V94-T115 VanDerWaalsContact CA-O 3.25Å; V94-T115 WeakPolarHBondContact CA-O 3.48Å; V94-Q118 HydrophobicContact CG1-CB 3.92Å; V94-K137 HydrophobicContact CG1-CD 4.12Å; V94-K137 HydrophobicContact CG1-CG 4.28Å; V94-K137 HydrophobicContact CG2-CD 3.96Å; V94-K139 HydrophobicContact CB-CB 3.88Å; V94-K139 HydrophobicContact CB-CD 4.36Å; V94-K139 HydrophobicContact CG1-CB 4.07Å; V94-K139 HydrophobicContact CG2-CB 3.9Å; V94-K139 HydrophobicContact CG2-CD 3.83Å
95	T	84.5	Confident	75.1	Confident	27 Å²	27	90.7 Å²	90.7	17%	0.166	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-67.9	131.3	-176.1	-55.5	0	0	0	0	110.7	P93 R97 L109 E113 I114 T115	P93-T95 PolarHBondContact O-N 3.32Å; T95-R97 HydrophobicContact CG2-CG 4.27Å; T95-L109 HydrophobicContact CG2-CD1 3.93Å; T95-E113 PolarHBondContact OG1-O 3.08Å; T95-I114 WeakPolarHBondContact OG1-CA 2.87Å; T95-T115 PolarHBondContact N-O 3.29Å; T95-T115 PolarHBondContact OG1-N 3.18Å
96	D	75.1	Confident	72.9	Confident	43 Å²	43	92.1 Å²	92.1	23%	0.23	48%	0.482	C	S	.	.			trans	-118.5	99.2	174.4	-166.1	-6.3	0	0	0	110.2	V94 S98 K99 A100 K139	V94-D96 PolarHBondContact O-N 3.48Å; D96-S98 VanDerWaalsContact C-N 3.26Å; D96-S98 PolarHBondContact O-N 3.07Å; D96-S98 PolarHBondContact OD1-N 2.88Å; D96-S98 PolarHBondContact OD1-OG 3.27Å; D96-K99 HydrophobicContact CB-CD 4.43Å; D96-K99 PolarHBondContact O-N 3.42Å; D96-A100 PolarHBondContact O-N 3.17Å; D96-A100 VanDerWaalsContact O-N 3.16Å; D96-K139 IonicContact OD1-NZ 3.76Å; D96-K139 PolarHBondContact OD1-NZ 2.87Å; D96-K139 IonicContact OD2-NZ 3.09Å
97	R	67.3	Low	70.9	Confident	32 Å²	32	93.4 Å²	93.4	12%	0.121	49%	0.494	C	S	.	.	H	α-helix	trans	-71.3	-21.9	-176.9	-71.7	-163.5	175.8	-158.1	13.2	113.4	T95 K99 A100 K101 I114 E142 D143	T95-R97 HydrophobicContact CG2-CG 4.27Å; R97-K99 PolarHBondContact O-N 2.97Å; R97-A100 PolarHBondContact O-N 3.14Å; R97-K101 PolarHBondContact O-N 2.84Å; R97-K101 VanDerWaalsContact O-N 3.1Å; R97-I114 VanDerWaalsContact NH2-CD1 3.25Å; R97-E142 HydrophobicContact CB-CB 4.43Å; R97-E142 VanDerWaalsContact CD-O 3.27Å; R97-E142 WeakPolarHBondContact CD-O 2.95Å; R97-E142 PolarHBondContact NE-O 2.99Å; R97-E142 VanDerWaalsContact NE-O 3.14Å; R97-D143 IonicContact CZ-OD2 3.41Å; R97-D143 VanDerWaalsContact NH1-CB 3.28Å; R97-D143 IonicContact NH1-OD2 3.62Å; R97-D143 PolarHBondContact NH1-OD2 3.24Å; R97-D143 PolarHBondContact NH2-O 3.38Å
98	S	60.6	Low	69.3	Low	71 Å²	71	96.6 Å²	96.6	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-33.4	173.1	71.8	0	0	0	0	111.9	D96	D96-S98 VanDerWaalsContact C-N 3.26Å; D96-S98 PolarHBondContact O-N 3.07Å; D96-S98 PolarHBondContact OD1-N 2.88Å; D96-S98 PolarHBondContact OD1-OG 3.27Å
99	K	52.6	Low	67.9	Low	139 Å²	139	95.5 Å²	95.5	60%	0.604	50%	0.498	S	S	*	.	H	α-helix	trans	-85.1	-37	175.2	-65.1	-178.8	-176.8	175.7	0	112.7	D96 R97 K101 A102	D96-K99 HydrophobicContact CB-CD 4.43Å; D96-K99 PolarHBondContact O-N 3.42Å; R97-K99 PolarHBondContact O-N 2.97Å; K99-K101 VanDerWaalsContact C-N 3.29Å; K99-K101 PolarHBondContact O-N 3.11Å; K99-A102 WeakPolarHBondContact O-CB 3.4Å; K99-A102 PolarHBondContact O-N 3.33Å
100	A	51.1	Low	66.6	Low	37 Å²	37	97.3 Å²	97.3	31%	0.306	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-32.8	177.8	0	0	0	0	0	113.1	D96 R97 A102 E103 T104 L109	D96-A100 PolarHBondContact O-N 3.17Å; D96-A100 VanDerWaalsContact O-N 3.16Å; R97-A100 PolarHBondContact O-N 3.14Å; A100-A102 PolarHBondContact O-N 2.87Å; A100-E103 PolarHBondContact O-N 3.28Å; A100-T104 PolarHBondContact O-N 3.13Å; A100-L109 HydrophobicContact CB-CD1 4.46Å
101	K	50.3	Low	65.4	Low	173 Å²	173	94 Å²	94	75%	0.752	49%	0.491	S	S	*	.	H	α-helix	trans	-64.9	-20.2	171.2	-78.9	-177.8	177.3	175.9	0	113.8	R97 K99	R97-K101 PolarHBondContact O-N 2.84Å; R97-K101 VanDerWaalsContact O-N 3.1Å; K99-K101 VanDerWaalsContact C-N 3.29Å; K99-K101 PolarHBondContact O-N 3.11Å
102	A	47.3	Very low	64.2	Low	87 Å²	87	97.5 Å²	97.5	72%	0.719	51%	0.505	S	S	*	.	H	α-helix	trans	-88.4	-20.1	-178.8	0	0	0	0	0	113.5	K99 A100	K99-A102 WeakPolarHBondContact O-CB 3.4Å; K99-A102 PolarHBondContact O-N 3.33Å; A100-A102 PolarHBondContact O-N 2.87Å
103	E	50.3	Low	63.4	Low	172 Å²	172	99 Å²	99	80%	0.804	51%	0.51	S	S	*	.	H	α-helix	trans	-102.7	-22.1	-175.1	-71.6	-179.7	173.7	0	0	114	A100	A100-E103 PolarHBondContact O-N 3.28Å
104	T	47.1	Very low	63	Low	81 Å²	81	94.9 Å²	94.9	50%	0.497	48%	0.483	S	S	.	.			trans	-149.7	110.8	179	-11.5	0	0	0	0	111.4	A100 N106	A100-T104 PolarHBondContact O-N 3.13Å; T104-N106 PolarHBondContact O-N 3.18Å; T104-N106 VanDerWaalsContact O-N 3.16Å
105	E	46.5	Very low	62.9	Low	183 Å²	183	94.8 Å²	94.8	86%	0.855	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	117.3	169.7	-72	-177.7	159.2	0	0	109.6
106	N	48.2	Very low	63.1	Low	162 Å²	162	93.6 Å²	93.6	87%	0.866	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	18.6	163.4	-60.9	-35.3	0	0	0	121.1	T104	T104-N106 PolarHBondContact O-N 3.18Å; T104-N106 VanDerWaalsContact O-N 3.16Å
107	Q	54.4	Low	64	Low	161 Å²	161	91.6 Å²	91.6	75%	0.752	46%	0.464	S	S	*	.			trans	-91.7	109.6	165.1	-87.9	-179.1	-6.2	0	0	112.1	L109	Q107-L109 PolarHBondContact O-N 3.1Å
108	K	61.8	Low	65.3	Low	119 Å²	119	91.7 Å²	91.7	52%	0.517	47%	0.466	S	S	.	.			trans	-67.7	110.3	169.9	-172.1	173.1	178.2	171	0	108.2	K110 S181	K108-K110 PolarHBondContact O-N 3.44Å; K108-S181 WeakPolarHBondContact CE-OG 3.46Å; K108-S181 VanDerWaalsContact NZ-C 3.28Å; K108-S181 PolarHBondContact NZ-O 3.31Å; K108-S181 PolarHBondContact NZ-OG 2.85Å
109	L	67.2	Low	67	Low	52 Å²	52	88.5 Å²	88.5	27%	0.272	44%	0.444	S	S	.	.			trans	-55	137.5	175.9	-73.5	168.2	0	0	0	109.8	T95 A100 Q107 E113	T95-L109 HydrophobicContact CG2-CD1 3.93Å; A100-L109 HydrophobicContact CB-CD1 4.46Å; Q107-L109 PolarHBondContact O-N 3.1Å; L109-E113 HydrophobicContact CD2-CB 4.27Å; L109-E113 WeakPolarHBondContact CD2-OE2 3.45Å
110	K	70.4	Confident	69.1	Low	131 Å²	131	83.1 Å²	83.1	57%	0.57	42%	0.42	S	S	*	.			trans	-71.1	152	174.6	-64.1	-179.2	179.8	173.8	0	109.8	K108 E112 E113	K108-K110 PolarHBondContact O-N 3.44Å; K110-E112 WeakPolarHBondContact CB-OE2 2.8Å; K110-E112 PolarHBondContact O-N 3.26Å; K110-E112 VanDerWaalsContact O-N 3.12Å; K110-E113 HydrophobicContact CB-CG 4.28Å; K110-E113 PolarHBondContact N-OE2 3.32Å; K110-E113 WeakPolarHBondContact O-CB 3.05Å; K110-E113 PolarHBondContact O-N 3.23Å
111	P	68.9	Low	71.3	Confident	37 Å²	37	84 Å²	84	24%	0.24	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-52.8	-35.3	178.5	-26.2	35.1	0	0	0	113.3	E113 I114 P145 V273	P111-E113 PolarHBondContact O-N 2.86Å; P111-I114 PolarHBondContact O-N 2.83Å; P111-P145 HydrophobicContact CB-CG 4.04Å; P111-P145 HydrophobicContact CG-CG 3.8Å; P111-V273 HydrophobicContact CB-CG1 4.34Å
112	E	71.4	Confident	73.5	Confident	154 Å²	154	75.7 Å²	75.7	72%	0.72	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-72.8	-13.4	-178.4	-53.9	77	-160.8	0	0	113.8	K110	K110-E112 WeakPolarHBondContact CB-OE2 2.8Å; K110-E112 PolarHBondContact O-N 3.26Å; K110-E112 VanDerWaalsContact O-N 3.12Å
113	E	75.6	Confident	75.9	Confident	102 Å²	102	72.2 Å²	72.2	48%	0.477	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-94.3	-8.5	178.3	-63.3	168	170.4	0	0	112	T95 L109 K110 P111	T95-E113 PolarHBondContact OG1-O 3.08Å; L109-E113 HydrophobicContact CD2-CB 4.27Å; L109-E113 WeakPolarHBondContact CD2-OE2 3.45Å; K110-E113 HydrophobicContact CB-CG 4.28Å; K110-E113 PolarHBondContact N-OE2 3.32Å; K110-E113 WeakPolarHBondContact O-CB 3.05Å; K110-E113 PolarHBondContact O-N 3.23Å; P111-E113 PolarHBondContact O-N 2.86Å
114	I	82.4	Confident	78.1	Confident	8 Å²	8	64 Å²	64	4%	0.041	31%	0.314	C	S	.	.			trans	-84.6	123.9	176.6	-52.3	170.5	0	0	0	108.2	T95 R97 P111 Q116 A141 Y144	T95-I114 WeakPolarHBondContact OG1-CA 2.87Å; R97-I114 VanDerWaalsContact NH2-CD1 3.25Å; P111-I114 PolarHBondContact O-N 2.83Å; I114-Q116 HydrophobicContact CG2-CG 4.36Å; I114-A141 HydrophobicContact CG2-CB 3.65Å; I114-Y144 HydrophobicContact CB-CD2 4.36Å; I114-Y144 HydrophobicContact CB-CE2 4.25Å; I114-Y144 HydrophobicContact CD1-CD2 3.86Å; I114-Y144 HydrophobicContact CD1-CE2 4.27Å; I114-Y144 HydrophobicContact CG2-CD2 3.94Å; I114-Y144 HydrophobicContact CG2-CE2 4.14Å
115	T	88.1	Confident	80.4	Confident	19 Å²	19	62 Å²	62	12%	0.117	30%	0.301	C	S	.	.			trans	-118.1	119.3	176.6	-57.9	0	0	0	0	108.7	N92 V94 T95 V117 E456	N92-T115 HydrophobicContact CB-CG2 4.3Å; V94-T115 CarbonylContact C-O 3.57Å; V94-T115 VanDerWaalsContact CA-O 3.25Å; V94-T115 WeakPolarHBondContact CA-O 3.48Å; T95-T115 PolarHBondContact N-O 3.29Å; T95-T115 PolarHBondContact OG1-N 3.18Å; T115-V117 VanDerWaalsContact CG2-O 3.31Å; T115-V117 WeakPolarHBondContact CG2-O 3.47Å; T115-E456 WeakPolarHBondContact CA-OE1 3.41Å; T115-E456 WeakPolarHBondContact CA-OE2 3.38Å
116	Q	89.5	Confident	82.6	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.014	26%	0.26	C	S	.	.			trans	-106.5	-24.5	177.8	-63.9	-165.8	-111.2	0	0	112.3	I114 F138 K139 A141 E456	I114-Q116 HydrophobicContact CG2-CG 4.36Å; Q116-F138 HydrophobicContact CB-CE2 4.19Å; Q116-F138 WeakPolarHBondContact O-CA 3.31Å; Q116-K139 WeakPolarHBondContact CB-O 3.32Å; Q116-K139 PolarHBondContact NE2-O 3.32Å; Q116-K139 PolarHBondContact O-N 3.22Å; Q116-A141 HydrophobicContact CG-CB 3.69Å; Q116-A141 VanDerWaalsContact NE2-N 3.14Å; Q116-E456 WeakPolarHBondContact CB-OE1 3.44Å; Q116-E456 WeakPolarHBondContact CG-OE1 3.39Å; Q116-E456 PolarHBondContact N-OE1 3.41Å; Q116-E456 PolarHBondContact N-OE2 3.1Å
117	V	92.9	Very high	84.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.5	-177.8	-178.6	0	0	0	0	110.3	T115 Q120 L136 F138 P451 E456 V458	T115-V117 VanDerWaalsContact CG2-O 3.31Å; T115-V117 WeakPolarHBondContact CG2-O 3.47Å; V117-Q120 PolarHBondContact O-NE2 3.1Å; V117-L136 HydrophobicContact CG1-CD1 4.25Å; V117-L136 HydrophobicContact CG1-CD2 4.22Å; V117-L136 HydrophobicContact CG1-CG 4.12Å; V117-F138 HydrophobicContact CG2-CD2 3.97Å; V117-P451 HydrophobicContact CG2-CG 3.84Å; V117-E456 HydrophobicContact CB-CB 4.18Å; V117-E456 HydrophobicContact CG2-CB 3.81Å; V117-E456 PolarHBondContact N-OE2 3.19Å; V117-V458 HydrophobicContact CG1-CG2 3.3Å
118	Q	94.8	Very high	86.5	Confident	33 Å²	33	38.3 Å²	38.3	15%	0.154	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.9	177.7	178.6	-177.8	13	0	0	110.3	N91 N92 V94 L136 K137	N91-Q118 WeakPolarHBondContact OD1-CG 2.86Å; N91-Q118 PolarHBondContact OD1-NE2 3.44Å; N92-Q118 WeakPolarHBondContact O-CG 2.99Å; V94-Q118 HydrophobicContact CG1-CB 3.92Å; Q118-L136 CarbonylContact O-C 3.4Å; Q118-L136 WeakPolarHBondContact O-CA 3.37Å; Q118-K137 HydrophobicContact CB-CB 4.32Å; Q118-K137 PolarHBondContact N-O 2.78Å; Q118-K137 PolarHBondContact O-N 2.94Å
119	P	96.8	Very high	87.8	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.032	18%	0.181	C	C	.	.			cis	-73.6	171.3	-7.8	33	-36.8	0	0	0	112.1	I88 K90 N91 V122 F134 E135 V458	I88-P119 HydrophobicContact CG2-CB 3.65Å; I88-P119 HydrophobicContact CG2-CG 4.29Å; K90-P119 WeakPolarHBondContact O-CB 3.23Å; N91-P119 HydrophobicContact CB-CB 4.39Å; P119-V122 HydrophobicContact CB-CG2 4.22Å; P119-V122 HydrophobicContact CG-CG2 3.45Å; P119-V122 VanDerWaalsContact CG-CG2 3.45Å; P119-F134 HydrophobicContact CG-CD2 4.34Å; P119-E135 VanDerWaalsContact CD-O 3.29Å; P119-E135 WeakPolarHBondContact CD-O 3.2Å; P119-V458 WeakPolarHBondContact O-CG1 3.31Å; P119-V458 WeakPolarHBondContact O-CG2 3.43Å
120	Q	95.4	Very high	89	Confident	25 Å²	25	33.9 Å²	33.9	12%	0.117	18%	0.176	C	C	.	.	S	Bend	trans	-98.1	-24.5	177.3	-56.9	76	36.2	0	0	112.5	K90 N92 V117 E459	K90-Q120 HydrophobicContact CB-CB 4.39Å; K90-Q120 HydrophobicContact CD-CB 4.1Å; K90-Q120 HydrophobicContact CG-CB 4.26Å; K90-Q120 PolarHBondContact O-N 2.82Å; K90-Q120 PolarHBondContact O-OE1 3.29Å; N92-Q120 PolarHBondContact O-NE2 2.9Å; V117-Q120 PolarHBondContact O-NE2 3.1Å; Q120-E459 PolarHBondContact O-N 2.96Å
121	K	97.6	Very high	90.2	Very high	55 Å²	55	30.9 Å²	30.9	24%	0.239	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	128	179.8	-163.8	167.9	-175	137.8	0	112.5	L89 K90 E459	L89-K121 HydrophobicContact CB-CB 4.18Å; L89-K121 HydrophobicContact CB-CD 4.42Å; L89-K121 HydrophobicContact CB-CG 4.07Å; L89-K121 HydrophobicContact CD1-CD 4.35Å; L89-K121 HydrophobicContact CD1-CG 4.18Å; L89-K121 PolarHBondContact N-O 3.48Å; K90-K121 HydrophobicContact CB-CB 3.69Å; K90-K121 PolarHBondContact N-O 3.02Å; K90-K121 VanDerWaalsContact N-O 3.1Å; K90-K121 PolarHBondContact O-N 1.99Å; K90-K121 VanDerWaalsContact O-N 3.15Å; K121-E459 CarbonylContact C-O 3.56Å; K121-E459 VanDerWaalsContact CA-O 3.27Å; K121-E459 WeakPolarHBondContact CA-O 3.07Å; K121-E459 WeakPolarHBondContact CE-OE1 3.2Å; K121-E459 WeakPolarHBondContact CE-OE2 3.37Å; K121-E459 HydrophobicContact CG-CB 4.27Å; K121-E459 IonicContact NZ-OE1 3.87Å; K121-E459 PolarHBondContact NZ-OE1 2.88Å; K121-E459 IonicContact NZ-OE2 2.75Å; K121-E459 PolarHBondContact NZ-OE2 3.21Å
122	V	97.5	Very high	91.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141	-178.6	-173.9	0	0	0	0	109.5	R86 P119 L124 F134 V458 E459 I460 I461	R86-V122 HydrophobicContact CG-CG1 4.28Å; P119-V122 HydrophobicContact CB-CG2 4.22Å; P119-V122 HydrophobicContact CG-CG2 3.45Å; P119-V122 VanDerWaalsContact CG-CG2 3.45Å; V122-L124 HydrophobicContact CG1-CD2 3.63Å; V122-L124 HydrophobicContact CG1-CG 4.09Å; V122-F134 HydrophobicContact CG1-CD1 4.47Å; V122-F134 HydrophobicContact CG1-CG 4.37Å; V122-F134 HydrophobicContact CG2-CD2 4.05Å; V122-F134 HydrophobicContact CG2-CE2 4.28Å; V122-F134 HydrophobicContact CG2-CG 4.39Å; V122-V458 HydrophobicContact CG2-CG1 4.23Å; V122-E459 PolarHBondContact N-O 3.5Å; V122-I460 CarbonylContact O-C 3.56Å; V122-I460 WeakPolarHBondContact O-CA 3.41Å; V122-I461 PolarHBondContact O-N 2.97Å
123	S	97.4	Very high	92.6	Very high	14 Å²	14	24.5 Å²	24.5	10%	0.098	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.1	169.2	172.6	0	0	0	0	108.7	T87 I461 H463	T87-S123 PolarHBondContact N-O 2.86Å; T87-S123 PolarHBondContact O-N 2.01Å; S123-I461 CarbonylContact C-O 3.58Å; S123-I461 WeakPolarHBondContact CA-O 3.45Å; S123-H463 PolarHBondContact OG-CD2 3.21Å; S123-H463 VanDerWaalsContact OG-CD2 3.27Å; S123-H463 PolarHBondContact OG-NE2 3.21Å
124	L	96.5	Very high	93.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.5	178.6	-56.8	-178.3	0	0	0	109.1	R86 V122 L126 Q132 F134 I433 I460 I461 L462 H463	R86-L124 HydrophobicContact CB-CD2 3.97Å; R86-L124 HydrophobicContact CG-CD2 3.71Å; V122-L124 HydrophobicContact CG1-CD2 3.63Å; V122-L124 HydrophobicContact CG1-CG 4.09Å; L124-L126 HydrophobicContact CB-CD2 4.03Å; L124-L126 HydrophobicContact CB-CG 4.47Å; L124-Q132 HydrophobicContact CD1-CB 4.48Å; L124-Q132 HydrophobicContact CD2-CB 4.27Å; L124-F134 HydrophobicContact CD1-CD1 4.26Å; L124-F134 HydrophobicContact CD1-CE1 4.42Å; L124-I433 HydrophobicContact CD1-CB 4.08Å; L124-I433 HydrophobicContact CD1-CD1 3.78Å; L124-I433 HydrophobicContact CD1-CG1 4.16Å; L124-I460 HydrophobicContact CD1-CG2 3.8Å; L124-I460 HydrophobicContact CG-CG2 4Å; L124-I461 PolarHBondContact N-O 2.78Å; L124-L462 HydrophobicContact CB-CD2 3.93Å; L124-L462 HydrophobicContact CD1-CD2 4.04Å; L124-L462 HydrophobicContact CG-CD2 4.37Å; L124-L462 WeakPolarHBondContact O-CA 3.45Å; L124-H463 PolarHBondContact O-N 2.83Å
125	T	94.9	Very high	94.3	Very high	37 Å²	37	24 Å²	24	23%	0.227	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.3	167.9	-54.3	0	0	0	0	107.6	G84 K85 Q132 H463 I465	G84-T125 CarbonylContact C-O 3.5Å; G84-T125 WeakPolarHBondContact CA-O 3.05Å; K85-T125 PolarHBondContact N-O 3.49Å; K85-T125 PolarHBondContact O-N 3.45Å; T125-Q132 WeakPolarHBondContact O-CG 3.43Å; T125-H463 CarbonylContact C-O 3.52Å; T125-H463 WeakPolarHBondContact CA-O 3.48Å; T125-H463 HydrophobicContact CG2-CB 4.42Å; T125-I465 HydrophobicContact CG2-CD1 3.71Å; T125-I465 HydrophobicContact CG2-CG1 3.51Å
126	L	93.9	Very high	94.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.5	-172.1	-57.9	-177.9	0	0	0	111	L124 Q132 I433 L462 H463 F464 I465	L124-L126 HydrophobicContact CB-CD2 4.03Å; L124-L126 HydrophobicContact CB-CG 4.47Å; L126-Q132 HydrophobicContact CD2-CB 3.69Å; L126-Q132 HydrophobicContact CD2-CG 3.66Å; L126-I433 HydrophobicContact CD1-CG2 3.87Å; L126-I433 HydrophobicContact CD2-CG2 4.49Å; L126-L462 HydrophobicContact CD1-CB 4.49Å; L126-L462 HydrophobicContact CD1-CD1 4.11Å; L126-L462 HydrophobicContact CD1-CD2 4.04Å; L126-L462 HydrophobicContact CD1-CG 4.46Å; L126-H463 PolarHBondContact N-O 3.36Å; L126-F464 HydrophobicContact CB-CD1 4.38Å; L126-F464 HydrophobicContact CD1-CE1 4.08Å; L126-I465 PolarHBondContact O-N 2.87Å
127	R	92.8	Very high	95	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.8	164.4	178.3	-171	179.8	150.2	-12.3	109.6	G41 A42 C44 N81 P82 G129 E130 I465	G41-R127 PolarHBondContact O-NH2 3.11Å; A42-R127 PolarHBondContact O-NH2 2.99Å; C44-R127 PolarHBondContact O-NH2 2.76Å; N81-R127 PolarHBondContact OD1-NH1 2.8Å; N81-R127 PolarHBondContact OD1-NH2 2.9Å; P82-R127 WeakPolarHBondContact O-CD 3.41Å; P82-R127 PolarHBondContact O-NH1 3.43Å; R127-G129 PolarHBondContact O-N 3.05Å; R127-E130 HydrophobicContact CB-CB 3.89Å; R127-E130 WeakPolarHBondContact CB-OE2 3.44Å; R127-E130 WeakPolarHBondContact CD-OE2 3.43Å; R127-E130 HydrophobicContact CG-CB 4.36Å; R127-E130 PolarHBondContact O-N 3.47Å; R127-I465 HydrophobicContact CB-CD1 4.29Å
128	S	91.4	Very high	95	Very high	8 Å²	8	25.6 Å²	25.6	6%	0.056	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-55	126.2	175	-166.2	0	0	0	0	111.4	Q39 A42 E130 S435 K436 G437	Q39-S128 WeakPolarHBondContact O-CB 3.37Å; Q39-S128 PolarHBondContact O-OG 3.12Å; A42-S128 PolarHBondContact N-O 3.08Å; S128-E130 PolarHBondContact O-N 2.77Å; S128-S435 CarbonylContact C-O 3.52Å; S128-S435 WeakPolarHBondContact CA-O 3.08Å; S128-K436 VanDerWaalsContact OG-C 3.25Å; S128-K436 PolarHBondContact OG-O 3.05Å; S128-G437 PolarHBondContact OG-N 3.16Å
129	G	88.6	Confident	94.8	Very high	40 Å²	40	25.2 Å²	25.2	41%	0.412	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-9.9	-178.5	0	0	0	0	0	115.5	R127 P131 S435	R127-G129 PolarHBondContact O-N 3.05Å; G129-P131 WeakPolarHBondContact O-CD 3.45Å; G129-S435 PolarHBondContact N-O 3.49Å
130	E	92.6	Very high	94.2	Very high	37 Å²	37	25.5 Å²	25.5	17%	0.173	14%	0.142	C	C	.	.			trans	-97.5	115.5	-179.1	-165.3	-167.1	151.9	0	0	110.9	A42 G84 R127 S128 Q132	A42-E130 HydrophobicContact CB-CB 3.96Å; G84-E130 PolarHBondContact N-OE1 2.89Å; G84-E130 PolarHBondContact N-OE2 3.04Å; R127-E130 HydrophobicContact CB-CB 3.89Å; R127-E130 WeakPolarHBondContact CB-OE2 3.44Å; R127-E130 WeakPolarHBondContact CD-OE2 3.43Å; R127-E130 HydrophobicContact CG-CB 4.36Å; R127-E130 PolarHBondContact O-N 3.47Å; S128-E130 PolarHBondContact O-N 2.77Å; E130-Q132 PolarHBondContact OE1-NE2 3.14Å
131	P	94.5	Very high	93.5	Very high	68 Å²	68	24.9 Å²	24.9	44%	0.442	14%	0.142	S	C	.	.			trans	-71.8	134.7	176.5	25.9	-30.9	0	0	0	111.8	G129 S432 T434	G129-P131 WeakPolarHBondContact O-CD 3.45Å; P131-S432 VanDerWaalsContact CB-OG 3.28Å; P131-S432 WeakPolarHBondContact CB-OG 3.19Å; P131-T434 WeakPolarHBondContact CB-OG1 3.33Å
132	Q	96.6	Very high	92.7	Very high	20 Å²	20	25.7 Å²	25.7	9%	0.093	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.7	164.4	-65.8	-62.2	-57.6	0	0	109.9	L124 T125 L126 E130 I433	L124-Q132 HydrophobicContact CD1-CB 4.48Å; L124-Q132 HydrophobicContact CD2-CB 4.27Å; T125-Q132 WeakPolarHBondContact O-CG 3.43Å; L126-Q132 HydrophobicContact CD2-CB 3.69Å; L126-Q132 HydrophobicContact CD2-CG 3.66Å; E130-Q132 PolarHBondContact OE1-NE2 3.14Å; Q132-I433 PolarHBondContact N-O 2.86Å; Q132-I433 PolarHBondContact O-N 3.44Å
133	S	95.8	Very high	91.8	Very high	37 Å²	37	27.9 Å²	27.9	26%	0.259	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.5	-176.6	-39.7	0	0	0	0	113.4	R86 I431 S432	R86-S133 VanDerWaalsContact CD-O 3.3Å; R86-S133 WeakPolarHBondContact CD-O 2.98Å; R86-S133 PolarHBondContact NH1-O 3.37Å; S133-I431 WeakPolarHBondContact CA-O 3.28Å; S133-S432 WeakPolarHBondContact OG-CB 3.47Å; S133-S432 PolarHBondContact OG-OG 3.46Å
134	F	96.6	Very high	91.2	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.1	170.7	72.8	-81.9	0	0	0	110.6	P119 V122 L124 L136 N430 I431 I433 V458 I460	P119-F134 HydrophobicContact CG-CD2 4.34Å; V122-F134 HydrophobicContact CG1-CD1 4.47Å; V122-F134 HydrophobicContact CG1-CG 4.37Å; V122-F134 HydrophobicContact CG2-CD2 4.05Å; V122-F134 HydrophobicContact CG2-CE2 4.28Å; V122-F134 HydrophobicContact CG2-CG 4.39Å; L124-F134 HydrophobicContact CD1-CD1 4.26Å; L124-F134 HydrophobicContact CD1-CE1 4.42Å; F134-L136 HydrophobicContact CE2-CB 4.26Å; F134-N430 PolarHBondContact O-OD1 3.26Å; F134-I431 HydrophobicContact CD1-CB 4.37Å; F134-I431 HydrophobicContact CE1-CB 3.88Å; F134-I431 HydrophobicContact CE1-CG2 3.91Å; F134-I431 HydrophobicContact CE2-CD1 4.08Å; F134-I431 HydrophobicContact CZ-CB 3.97Å; F134-I431 HydrophobicContact CZ-CD1 3.8Å; F134-I431 HydrophobicContact CZ-CG1 4.41Å; F134-I431 HydrophobicContact CZ-CG2 4.15Å; F134-I431 PolarHBondContact N-O 2.88Å; F134-I431 PolarHBondContact O-N 2.94Å; F134-I433 HydrophobicContact CE1-CD1 4.34Å; F134-V458 HydrophobicContact CE2-CG1 4.16Å; F134-V458 HydrophobicContact CZ-CG1 4.48Å; F134-I460 HydrophobicContact CE1-CD1 3.76Å; F134-I460 HydrophobicContact CE1-CG1 4.31Å; F134-I460 HydrophobicContact CZ-CD1 3.52Å; F134-I460 HydrophobicContact CZ-CG1 4.03Å
135	E	96.3	Very high	90.9	Very high	95 Å²	95	28.1 Å²	28.1	44%	0.444	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124	178.6	-172.4	173.5	13.3	0	0	109.8	P119 H428 F429	P119-E135 VanDerWaalsContact CD-O 3.29Å; P119-E135 WeakPolarHBondContact CD-O 3.2Å; E135-H428 HydrophobicContact CG-CB 4.32Å; E135-H428 WeakPolarHBondContact OE2-CB 3.12Å; E135-H428 IonicContact OE2-CE1 3.88Å; E135-H428 IonicContact OE2-CG 3.43Å; E135-H428 IonicContact OE2-ND1 2.88Å; E135-H428 PolarHBondContact OE2-ND1 3.41Å; E135-F429 CarbonylContact C-O 3.55Å; E135-F429 WeakPolarHBondContact CA-O 3.3Å
136	L	96.4	Very high	90.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.2	169.8	-176.7	163	0	0	0	108.2	V117 Q118 F134 F138 L387 H428 F429 I431 I449 V458	V117-L136 HydrophobicContact CG1-CD1 4.25Å; V117-L136 HydrophobicContact CG1-CD2 4.22Å; V117-L136 HydrophobicContact CG1-CG 4.12Å; Q118-L136 CarbonylContact O-C 3.4Å; Q118-L136 WeakPolarHBondContact O-CA 3.37Å; F134-L136 HydrophobicContact CE2-CB 4.26Å; L136-F138 HydrophobicContact CD2-CB 4.31Å; L136-L387 HydrophobicContact CD1-CD1 4.27Å; L136-L387 HydrophobicContact CD2-CD2 4.43Å; L136-H428 CarbonylContact O-C 3.56Å; L136-H428 WeakPolarHBondContact O-CA 3.48Å; L136-F429 HydrophobicContact CB-CB 4.35Å; L136-F429 HydrophobicContact CD2-CD2 3.99Å; L136-F429 PolarHBondContact N-O 2.66Å; L136-F429 PolarHBondContact O-N 3.43Å; L136-I431 HydrophobicContact CB-CD1 3.82Å; L136-I431 HydrophobicContact CD1-CD1 3.81Å; L136-I431 HydrophobicContact CG-CD1 4.48Å; L136-I449 HydrophobicContact CD1-CG2 4.24Å; L136-V458 HydrophobicContact CD1-CB 4.35Å; L136-V458 HydrophobicContact CD1-CG2 3.41Å; L136-V458 VanDerWaalsContact CD1-CG2 3.41Å; L136-V458 HydrophobicContact CG-CG2 4.01Å
137	K	95.1	Very high	90.7	Very high	56 Å²	56	26.3 Å²	26.3	24%	0.243	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.6	171.5	178.7	-174.7	-62.8	-143.9	0	109.3	V94 Q118 E426	V94-K137 HydrophobicContact CG1-CD 4.12Å; V94-K137 HydrophobicContact CG1-CG 4.28Å; V94-K137 HydrophobicContact CG2-CD 3.96Å; Q118-K137 HydrophobicContact CB-CB 4.32Å; Q118-K137 PolarHBondContact N-O 2.78Å; Q118-K137 PolarHBondContact O-N 2.94Å; K137-E426 HydrophobicContact CD-CG 4.1Å; K137-E426 WeakPolarHBondContact CD-OE1 3.5Å; K137-E426 WeakPolarHBondContact CE-OE1 3.22Å; K137-E426 HydrophobicContact CG-CG 3.82Å; K137-E426 IonicContact NZ-OE1 2.77Å; K137-E426 PolarHBondContact NZ-OE1 3.27Å; K137-E426 IonicContact NZ-OE2 3.81Å
138	F	93.3	Very high	90.9	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.3	170.4	176.8	-93.6	0	0	0	109.3	Q116 V117 L136 R140 V385 E426 V427 F429 P451 F454	Q116-F138 HydrophobicContact CB-CE2 4.19Å; Q116-F138 WeakPolarHBondContact O-CA 3.31Å; V117-F138 HydrophobicContact CG2-CD2 3.97Å; L136-F138 HydrophobicContact CD2-CB 4.31Å; F138-R140 HydrophobicContact CE1-CB 4.34Å; F138-V385 HydrophobicContact CD1-CB 4.4Å; F138-V385 HydrophobicContact CD1-CG1 3.9Å; F138-V385 HydrophobicContact CD1-CG2 3.66Å; F138-V385 HydrophobicContact CE1-CB 4.43Å; F138-V385 HydrophobicContact CE1-CG1 4.13Å; F138-V385 HydrophobicContact CE1-CG2 3.4Å; F138-V385 HydrophobicContact CG-CG1 4.13Å; F138-V385 HydrophobicContact CZ-CG2 4.23Å; F138-E426 WeakPolarHBondContact O-CA 3.35Å; F138-V427 HydrophobicContact CB-CG2 3.97Å; F138-V427 HydrophobicContact CD1-CG2 4.01Å; F138-V427 HydrophobicContact CG-CG2 4.48Å; F138-V427 PolarHBondContact N-O 3.04Å; F138-V427 PolarHBondContact O-N 3.36Å; F138-F429 HydrophobicContact CB-CE2 4.41Å; F138-P451 HydrophobicContact CD2-CB 4.29Å; F138-P451 HydrophobicContact CD2-CG 3.78Å; F138-P451 HydrophobicContact CE2-CB 4.11Å; F138-P451 HydrophobicContact CE2-CG 3.69Å; F138-F454 HydrophobicContact CE2-CD1 4.39Å; F138-F454 HydrophobicContact CE2-CD2 4.3Å; F138-F454 HydrophobicContact CE2-CE1 4.48Å; F138-F454 HydrophobicContact CE2-CE2 4.39Å; F138-F454 HydrophobicContact CE2-CG 4.3Å; F138-F454 HydrophobicContact CE2-CZ 4.48Å; F138-F454 HydrophobicContact CZ-CD1 4.36Å; F138-F454 HydrophobicContact CZ-CD2 4.22Å; F138-F454 HydrophobicContact CZ-CE1 4.01Å; F138-F454 AromaticContact CZ-CE2 3.84Å; F138-F454 HydrophobicContact CZ-CE2 3.84Å; F138-F454 HydrophobicContact CZ-CG 4.46Å; F138-F454 AromaticContact CZ-CZ 3.74Å; F138-F454 HydrophobicContact CZ-CZ 3.74Å
139	K	90.1	Very high	91.2	Very high	24 Å²	24	25.9 Å²	25.9	10%	0.104	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.9	171.4	-173.4	178.4	178.3	-176.5	0	109.2	V94 D96 Q116 A141 G424	V94-K139 HydrophobicContact CB-CB 3.88Å; V94-K139 HydrophobicContact CB-CD 4.36Å; V94-K139 HydrophobicContact CG1-CB 4.07Å; V94-K139 HydrophobicContact CG2-CB 3.9Å; V94-K139 HydrophobicContact CG2-CD 3.83Å; D96-K139 IonicContact OD1-NZ 3.76Å; D96-K139 PolarHBondContact OD1-NZ 2.87Å; D96-K139 IonicContact OD2-NZ 3.09Å; Q116-K139 WeakPolarHBondContact CB-O 3.32Å; Q116-K139 PolarHBondContact NE2-O 3.32Å; Q116-K139 PolarHBondContact O-N 3.22Å; K139-A141 PolarHBondContact O-N 3.27Å; K139-G424 WeakPolarHBondContact CE-O 3.13Å
140	R	85.5	Confident	91.6	Very high	11 Å²	11	24 Å²	24	4%	0.042	12%	0.124	C	C	.	.			trans	-72.5	114.6	175.5	-175.7	171.2	168.2	-172.6	-2.9	109.3	F138 Y378 S382 I421 I423 G424 D425	F138-R140 HydrophobicContact CE1-CB 4.34Å; R140-Y378 PolarHBondContact NH2-OH 3.39Å; R140-S382 VanDerWaalsContact NH1-CB 3.33Å; R140-S382 PolarHBondContact NH1-O 3.1Å; R140-S382 PolarHBondContact NH1-OG 3.13Å; R140-S382 VanDerWaalsContact NH2-CB 3.25Å; R140-S382 PolarHBondContact NH2-OG 3.39Å; R140-I421 PolarHBondContact NH1-O 3.46Å; R140-I423 VanDerWaalsContact NH2-CG1 3.33Å; R140-G424 WeakPolarHBondContact O-CA 3.33Å; R140-G424 PolarHBondContact O-N 2.9Å; R140-G424 VanDerWaalsContact O-N 3.08Å; R140-D425 PolarHBondContact N-O 2.99Å; R140-D425 VanDerWaalsContact N-O 3.17Å
141	A	80.6	Confident	91.8	Very high	13 Å²	13	22.2 Å²	22.2	11%	0.107	12%	0.115	C	C	.	.			trans	-65.6	140.3	-179.9	0	0	0	0	0	111.6	I114 Q116 K139 Y144	I114-A141 HydrophobicContact CG2-CB 3.65Å; Q116-A141 HydrophobicContact CG-CB 3.69Å; Q116-A141 VanDerWaalsContact NE2-N 3.14Å; K139-A141 PolarHBondContact O-N 3.27Å; A141-Y144 HydrophobicContact CB-CD2 4.21Å
142	E	79.8	Confident	91.9	Very high	72 Å²	72	19 Å²	19	34%	0.336	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	141.8	164.9	-72.7	169.2	-154	0	0	109.7	R97 Y144 I423	R97-E142 HydrophobicContact CB-CB 4.43Å; R97-E142 VanDerWaalsContact CD-O 3.27Å; R97-E142 WeakPolarHBondContact CD-O 2.95Å; R97-E142 PolarHBondContact NE-O 2.99Å; R97-E142 VanDerWaalsContact NE-O 3.14Å; E142-Y144 VanDerWaalsContact C-N 3.32Å; E142-Y144 PolarHBondContact O-N 3.47Å; E142-I423 HydrophobicContact CB-CG2 4.26Å; E142-I423 HydrophobicContact CG-CG2 3.56Å
143	D	79.4	Confident	91.8	Very high	45 Å²	45	18 Å²	18	24%	0.241	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	46.6	173	-177.8	28.3	0	0	0	113	R97 T180 S181	R97-D143 IonicContact CZ-OD2 3.41Å; R97-D143 VanDerWaalsContact NH1-CB 3.28Å; R97-D143 IonicContact NH1-OD2 3.62Å; R97-D143 PolarHBondContact NH1-OD2 3.24Å; R97-D143 PolarHBondContact NH2-O 3.38Å; D143-T180 VanDerWaalsContact OD1-CA 3.31Å; D143-T180 WeakPolarHBondContact OD1-CA 3.45Å; D143-T180 PolarHBondContact OD1-OG1 3.34Å; D143-S181 VanDerWaalsContact CG-OG 3.27Å; D143-S181 WeakPolarHBondContact OD1-CB 3.47Å; D143-S181 PolarHBondContact OD1-N 3.33Å; D143-S181 PolarHBondContact OD1-OG 2.88Å; D143-S181 PolarHBondContact OD2-OG 3.2Å
144	Y	84.2	Confident	91.8	Very high	15 Å²	15	16.3 Å²	16.3	6%	0.059	8%	0.078	C	C	.	.			trans	-80.1	140.1	174.2	-164.4	-105.2	0	0	0	110.4	I114 A141 E142 T180 V273 T274 T455	I114-Y144 HydrophobicContact CB-CD2 4.36Å; I114-Y144 HydrophobicContact CB-CE2 4.25Å; I114-Y144 HydrophobicContact CD1-CD2 3.86Å; I114-Y144 HydrophobicContact CD1-CE2 4.27Å; I114-Y144 HydrophobicContact CG2-CD2 3.94Å; I114-Y144 HydrophobicContact CG2-CE2 4.14Å; A141-Y144 HydrophobicContact CB-CD2 4.21Å; E142-Y144 VanDerWaalsContact C-N 3.32Å; E142-Y144 PolarHBondContact O-N 3.47Å; Y144-T180 VanDerWaalsContact O-CB 3.31Å; Y144-T180 WeakPolarHBondContact O-CB 3.34Å; Y144-T180 PolarHBondContact O-OG1 2.84Å; Y144-V273 HydrophobicContact CE1-CB 4.16Å; Y144-T274 WeakPolarHBondContact CD1-OG1 3.33Å; Y144-T455 PolarHBondContact OH-OG1 3.1Å
145	P	89.7	Confident	91.7	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.026	8%	0.077	C	C	.	.			trans	-64.4	144.6	-178	-17.8	28.6	0	0	0	113	P111 D182 V273 T274	P111-P145 HydrophobicContact CB-CG 4.04Å; P111-P145 HydrophobicContact CG-CG 3.8Å; P145-D182 VanDerWaalsContact CA-O 3.26Å; P145-D182 WeakPolarHBondContact CA-O 3.47Å; P145-D182 HydrophobicContact CB-CB 3.93Å; P145-D182 HydrophobicContact CG-CB 4.21Å; P145-V273 HydrophobicContact CB-CB 3.96Å; P145-V273 HydrophobicContact CB-CG1 3.83Å; P145-V273 HydrophobicContact CB-CG2 4.19Å; P145-V273 HydrophobicContact CG-CG1 4.08Å; P145-V273 WeakPolarHBondContact O-CB 3.27Å; P145-T274 PolarHBondContact O-N 3.46Å
146	I	91.6	Very high	91.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.4	-179.3	-59.6	172.7	0	0	0	109.5	M176 I179 T180 D182 F183 K184 R271 L276 Y378	I146-M176 HydrophobicContact CD1-CE 3.7Å; I146-M176 HydrophobicContact CG2-CE 4.08Å; I146-I179 HydrophobicContact CD1-CG2 4.45Å; I146-T180 HydrophobicContact CB-CG2 4.09Å; I146-T180 HydrophobicContact CD1-CG2 3.8Å; I146-T180 HydrophobicContact CG1-CG2 3.97Å; I146-D182 PolarHBondContact N-O 3.42Å; I146-F183 HydrophobicContact CB-CD2 4.08Å; I146-F183 HydrophobicContact CG2-CD2 4.13Å; I146-F183 HydrophobicContact CG2-CE2 4.13Å; I146-F183 WeakPolarHBondContact O-CA 3.46Å; I146-K184 PolarHBondContact O-N 3.38Å; I146-R271 PolarHBondContact O-NH2 3.43Å; I146-L276 HydrophobicContact CG2-CD1 3.74Å; I146-L276 HydrophobicContact CG2-CG 4.17Å; I146-Y378 HydrophobicContact CD1-CD2 4.27Å; I146-Y378 HydrophobicContact CD1-CE1 4.43Å; I146-Y378 HydrophobicContact CD1-CE2 3.6Å; I146-Y378 HydrophobicContact CG1-CE2 4.4Å
147	D	95	Very high	91.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.2	165.5	-69.3	-13.1	0	0	0	108.3	L228 W270 R271 V273 T274 L276	D147-L228 HydrophobicContact CB-CD1 3.95Å; D147-L228 HydrophobicContact CB-CD2 4.06Å; D147-W270 HydrophobicContact CB-CE3 3.63Å; D147-W270 HydrophobicContact CB-CZ3 3.55Å; D147-R271 IonicContact OD1-CZ 2.62Å; D147-R271 IonicContact OD1-NE 3.79Å; D147-R271 PolarHBondContact OD1-NE 3.48Å; D147-R271 IonicContact OD1-NH2 3.69Å; D147-R271 PolarHBondContact OD1-NH2 3Å; D147-R271 VanDerWaalsContact OD2-CB 3.25Å; D147-R271 WeakPolarHBondContact OD2-CB 3.36Å; D147-R271 WeakPolarHBondContact OD2-CG 3.27Å; D147-R271 PolarHBondContact OD2-N 3.02Å; D147-R271 IonicContact OD2-NE 2.71Å; D147-R271 PolarHBondContact OD2-NE 3.06Å; D147-V273 HydrophobicContact CB-CG2 4.41Å; D147-T274 PolarHBondContact N-O 3.17Å; D147-L276 PolarHBondContact O-N 3.48Å
148	L	96.1	Very high	90.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.4	176.4	-175	150.1	0	0	0	109.9	L172 F183 K184 I185 G186 L228 L276 V278 I374	L148-L172 HydrophobicContact CD1-CD2 4.26Å; L148-L172 HydrophobicContact CD2-CD2 4.17Å; L148-F183 HydrophobicContact CB-CE2 3.64Å; L148-F183 HydrophobicContact CB-CZ 3.74Å; L148-F183 HydrophobicContact CD1-CE2 4.4Å; L148-F183 HydrophobicContact CD1-CZ 4.32Å; L148-F183 HydrophobicContact CG-CZ 4.49Å; L148-K184 PolarHBondContact N-O 3.08Å; L148-I185 HydrophobicContact CD2-CD1 4.38Å; L148-I185 HydrophobicContact CD2-CG1 4.11Å; L148-I185 CarbonylContact O-C 3.57Å; L148-I185 VanDerWaalsContact O-CA 3.25Å; L148-I185 WeakPolarHBondContact O-CA 3.3Å; L148-G186 PolarHBondContact O-N 3.5Å; L148-L228 WeakPolarHBondContact O-CD2 3.06Å; L148-L276 CarbonylContact C-O 3.51Å; L148-L276 WeakPolarHBondContact CA-O 3.36Å; L148-L276 HydrophobicContact CB-CB 4.48Å; L148-L276 HydrophobicContact CD1-CD1 4.46Å; L148-L276 HydrophobicContact CG-CB 4.4Å; L148-V278 HydrophobicContact CD1-CG2 3.97Å; L148-V278 HydrophobicContact CD2-CG2 4.07Å; L148-V278 HydrophobicContact CG-CG2 4.01Å; L148-I374 HydrophobicContact CD1-CD1 4.39Å; L148-I374 HydrophobicContact CD1-CG2 3.53Å
149	Y	97.7	Very high	90.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.5	173.7	-165.2	-94	0	0	0	109.5	L151 F187 G188 Y222 N224 L228 V261 I268 W270 L276 L277 V278	Y149-L151 HydrophobicContact CD1-CB 4.48Å; Y149-F187 PolarHBondContact OH-O 3.12Å; Y149-G188 VanDerWaalsContact OH-CA 3.27Å; Y149-G188 WeakPolarHBondContact OH-CA 3.04Å; Y149-G188 PolarHBondContact OH-N 2.97Å; Y149-Y222 PolarHBondContact OH-OH 3.36Å; Y149-N224 PolarHBondContact OH-OD1 2.8Å; Y149-L228 HydrophobicContact CD2-CG 4.46Å; Y149-V261 HydrophobicContact CD1-CG1 3.85Å; Y149-V261 HydrophobicContact CD1-CG2 3.9Å; Y149-V261 HydrophobicContact CE1-CG1 4.25Å; Y149-V261 HydrophobicContact CE1-CG2 3.5Å; Y149-V261 HydrophobicContact CG-CG1 4.34Å; Y149-I268 HydrophobicContact CD2-CG2 3.54Å; Y149-I268 HydrophobicContact CE1-CD1 4.36Å; Y149-I268 HydrophobicContact CE2-CD1 3.86Å; Y149-I268 HydrophobicContact CE2-CG2 3.79Å; Y149-I268 HydrophobicContact CG-CG2 4.12Å; Y149-W270 VanDerWaalsContact CB-CH2 3.46Å; Y149-W270 HydrophobicContact CG-CZ2 4.41Å; Y149-L276 PolarHBondContact N-O 3.46Å; Y149-L277 HydrophobicContact CD1-CD1 3.98Å; Y149-V278 PolarHBondContact O-N 3.49Å
150	Y	96.5	Very high	90.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	111.6	-180	-162.6	-78.4	0	0	0	109.5	M152 V165 L168 G186 F187 G188 V278 S280 V370 I374	Y150-M152 HydrophobicContact CD1-CB 4.02Å; Y150-M152 HydrophobicContact CE1-CB 3.83Å; Y150-M152 HydrophobicContact CE1-CG 4.15Å; Y150-M152 HydrophobicContact CE1-SD 4.16Å; Y150-V165 HydrophobicContact CE1-CG1 4.06Å; Y150-L168 HydrophobicContact CD2-CD2 3.96Å; Y150-L168 HydrophobicContact CE2-CD2 3.56Å; Y150-G186 PolarHBondContact N-O 3.41Å; Y150-F187 AromaticContact CD1-CD2 3.96Å; Y150-F187 HydrophobicContact CD1-CD2 3.96Å; Y150-F187 AromaticContact CD1-CE2 3.8Å; Y150-F187 HydrophobicContact CD1-CE2 3.8Å; Y150-F187 HydrophobicContact CE1-CE2 4.42Å; Y150-F187 HydrophobicContact CG-CD2 4.44Å; Y150-F187 CarbonylContact O-C 3.59Å; Y150-F187 WeakPolarHBondContact O-CA 3.13Å; Y150-G188 PolarHBondContact O-N 3.08Å; Y150-V278 HydrophobicContact CD2-CB 4.02Å; Y150-V278 HydrophobicContact CD2-CG1 3.93Å; Y150-V278 HydrophobicContact CE2-CB 4.4Å; Y150-V278 HydrophobicContact CE2-CG1 3.79Å; Y150-S280 PolarHBondContact OH-OG 3.35Å; Y150-V370 HydrophobicContact CE2-CG2 3.84Å; Y150-I374 HydrophobicContact CD2-CD1 4.46Å; Y150-I374 HydrophobicContact CE2-CD1 4.34Å
151	L	97.5	Very high	90.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	109.4	179.9	-178	58.1	0	0	0	109.3	Y149 G188 F190 Y222 A257 I258 V261 L277 V278 F279 S280	Y149-L151 HydrophobicContact CD1-CB 4.48Å; L151-G188 WeakPolarHBondContact CA-O 3.36Å; L151-F190 HydrophobicContact CD1-CD1 3.77Å; L151-F190 HydrophobicContact CD1-CE1 4.48Å; L151-F190 HydrophobicContact CD2-CD1 4.4Å; L151-F190 HydrophobicContact CG-CD1 3.74Å; L151-F190 HydrophobicContact CG-CE1 3.99Å; L151-Y222 HydrophobicContact CD1-CD2 4.01Å; L151-Y222 HydrophobicContact CD1-CE2 3.63Å; L151-A257 HydrophobicContact CD1-CB 3.96Å; L151-A257 HydrophobicContact CD2-CB 3.72Å; L151-A257 HydrophobicContact CG-CB 4.34Å; L151-I258 HydrophobicContact CD2-CG1 3.95Å; L151-V261 HydrophobicContact CD2-CG2 4.31Å; L151-L277 HydrophobicContact CB-CD1 3.8Å; L151-L277 HydrophobicContact CD2-CD1 4.3Å; L151-V278 WeakPolarHBondContact CA-O 3.3Å; L151-V278 WeakPolarHBondContact CB-O 3.44Å; L151-V278 PolarHBondContact N-O 3.49Å; L151-F279 HydrophobicContact CD2-CD2 3.89Å; L151-F279 HydrophobicContact CD2-CE2 4.37Å; L151-F279 HydrophobicContact CG-CD2 4.24Å; L151-S280 PolarHBondContact O-N 3.02Å
152	M	95.6	Very high	90.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.9	-171.6	-170.3	166	-179	0	0	112.3	Y150 L154 M158 D161 L162 V165 F187 G188 S189 F190	Y150-M152 HydrophobicContact CD1-CB 4.02Å; Y150-M152 HydrophobicContact CE1-CB 3.83Å; Y150-M152 HydrophobicContact CE1-CG 4.15Å; Y150-M152 HydrophobicContact CE1-SD 4.16Å; M152-L154 HydrophobicContact CG-CD2 4.26Å; M152-L154 HydrophobicContact SD-CD2 4.35Å; M152-M158 HydrophobicContact CE-CE 4Å; M152-D161 HydrophobicContact CE-CB 3.96Å; M152-L162 HydrophobicContact CE-CB 4Å; M152-L162 HydrophobicContact CE-CD1 4.22Å; M152-L162 HydrophobicContact SD-CD1 4.08Å; M152-V165 HydrophobicContact CE-CB 4.37Å; M152-V165 HydrophobicContact CE-CG2 3.99Å; M152-V165 HydrophobicContact SD-CB 4.01Å; M152-V165 HydrophobicContact SD-CG1 3.9Å; M152-V165 HydrophobicContact SD-CG2 3.97Å; M152-F187 HydrophobicContact CB-CE2 3.77Å; M152-F187 HydrophobicContact CB-CZ 3.68Å; M152-F187 HydrophobicContact CG-CZ 4.41Å; M152-F187 HydrophobicContact SD-CE2 4.14Å; M152-F187 HydrophobicContact SD-CZ 4.11Å; M152-G188 PolarHBondContact N-O 3.34Å; M152-S189 CarbonylContact O-C 3.56Å; M152-S189 VanDerWaalsContact O-CA 3.24Å; M152-S189 WeakPolarHBondContact O-CA 3.46Å; M152-F190 WeakPolarHBondContact O-CD1 3.09Å; M152-F190 PolarHBondContact O-N 3.49Å
153	D	96.1	Very high	91	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.5	164.8	-172.8	-5.8	0	0	0	110.5	S155 M158 F190 S280 T281	D153-S155 WeakPolarHBondContact OD1-CB 3.33Å; D153-S155 PolarHBondContact OD1-N 3.12Å; D153-S155 PolarHBondContact OD1-OG 3.37Å; D153-S155 VanDerWaalsContact OD1-OG 3.12Å; D153-S155 PolarHBondContact OD2-OG 3.48Å; D153-M158 HydrophobicContact CB-CE 4.38Å; D153-M158 HydrophobicContact CB-CG 3.83Å; D153-M158 HydrophobicContact CB-SD 4.4Å; D153-M158 VanDerWaalsContact O-CB 3.31Å; D153-M158 WeakPolarHBondContact O-CB 3.39Å; D153-M158 WeakPolarHBondContact O-CG 3.31Å; D153-F190 HydrophobicContact CB-CE1 4.04Å; D153-F190 HydrophobicContact CB-CE2 3.93Å; D153-F190 HydrophobicContact CB-CZ 3.58Å; D153-S280 VanDerWaalsContact CB-O 3.28Å; D153-S280 WeakPolarHBondContact CB-O 3.21Å; D153-S280 PolarHBondContact N-O 2.65Å; D153-T281 PolarHBondContact OD2-OG1 3.15Å
154	L	95.9	Very high	91	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.122	C	C	.	.			trans	-113.1	23.5	175.6	-66.2	-170.9	0	0	0	112.3	M152 L162 F190 V191 F220 Q242 S245	M152-L154 HydrophobicContact CG-CD2 4.26Å; M152-L154 HydrophobicContact SD-CD2 4.35Å; L154-L162 HydrophobicContact CD2-CD1 4.04Å; L154-L162 HydrophobicContact CD2-CD2 4.25Å; L154-F190 PolarHBondContact N-O 3.29Å; L154-V191 HydrophobicContact CB-CG2 4.23Å; L154-F220 HydrophobicContact CB-CZ 4.45Å; L154-F220 HydrophobicContact CD1-CZ 4.22Å; L154-Q242 HydrophobicContact CD1-CB 4.13Å; L154-S245 PolarHBondContact O-N 3.49Å
155	S	93.6	Very high	90.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-53.7	164.5	164.3	70.4	0	0	0	0	111.1	D153 S157 M158 E252	D153-S155 WeakPolarHBondContact OD1-CB 3.33Å; D153-S155 PolarHBondContact OD1-N 3.12Å; D153-S155 PolarHBondContact OD1-OG 3.37Å; D153-S155 VanDerWaalsContact OD1-OG 3.12Å; D153-S155 PolarHBondContact OD2-OG 3.48Å; S155-S157 PolarHBondContact O-N 3.21Å; S155-S157 PolarHBondContact OG-OG 3.42Å; S155-S157 VanDerWaalsContact OG-OG 3.1Å; S155-M158 PolarHBondContact O-N 3.46Å; S155-E252 WeakPolarHBondContact CB-OE1 3.36Å
156	Y	91.3	Very high	90.6	Very high	97 Å²	97	25.9 Å²	25.9	38%	0.38	13%	0.127	S	C	.	.	S	Bend	trans	-64.5	-28.8	-174.7	179.9	-100.7	0	0	0	112.8	M158 C210 Q214 I244 S245	Y156-M158 VanDerWaalsContact C-N 3.34Å; Y156-C210 HydrophobicContact CD2-CB 4.47Å; Y156-C210 WeakPolarHBondContact CD2-SG 3.46Å; Y156-Q214 PolarHBondContact OH-NE2 3.45Å; Y156-I244 HydrophobicContact CD2-CD1 4.01Å; Y156-I244 HydrophobicContact CE2-CD1 4.46Å; Y156-S245 WeakPolarHBondContact CA-O 3.34Å; Y156-S245 PolarHBondContact N-O 3.44Å
157	S	89.8	Confident	89.8	Confident	56 Å²	56	31 Å²	31	39%	0.392	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.2	-178.6	53.5	0	0	0	0	112.5	S155 K159 D282	S155-S157 PolarHBondContact O-N 3.21Å; S155-S157 PolarHBondContact OG-OG 3.42Å; S155-S157 VanDerWaalsContact OG-OG 3.1Å; S157-K159 PolarHBondContact O-N 3.21Å; S157-D282 WeakPolarHBondContact CB-OD2 3.44Å; S157-D282 VanDerWaalsContact OG-CG 3.27Å; S157-D282 PolarHBondContact OG-OD1 3.23Å; S157-D282 PolarHBondContact OG-OD2 2.73Å
158	M	90.8	Very high	89	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	15	-180	-64.2	-69.2	-61.6	0	0	115.1	M152 D153 S155 Y156 D161 L162 D282	M152-M158 HydrophobicContact CE-CE 4Å; D153-M158 HydrophobicContact CB-CE 4.38Å; D153-M158 HydrophobicContact CB-CG 3.83Å; D153-M158 HydrophobicContact CB-SD 4.4Å; D153-M158 VanDerWaalsContact O-CB 3.31Å; D153-M158 WeakPolarHBondContact O-CB 3.39Å; D153-M158 WeakPolarHBondContact O-CG 3.31Å; S155-M158 PolarHBondContact O-N 3.46Å; Y156-M158 VanDerWaalsContact C-N 3.34Å; M158-D161 HydrophobicContact CE-CB 3.84Å; M158-D161 PolarHBondContact O-N 3.44Å; M158-L162 PolarHBondContact O-N 3.3Å; M158-L162 VanDerWaalsContact O-N 3.07Å; M158-D282 HydrophobicContact SD-CB 3.67Å; M158-D282 PolarHBondContact SD-N 2.88Å; M158-D282 VanDerWaalsContact SD-N 3.44Å; M158-D282 VanDerWaalsContact SD-OD1 3.37Å
159	K	88.3	Confident	88.3	Confident	84 Å²	84	31.3 Å²	31.3	37%	0.365	16%	0.156	S	C	.	.	H	α-helix	trans	-65.3	-42.9	-172.4	-179.1	-179.4	176.6	-179.3	0	113.2	S157 Q214 I244	S157-K159 PolarHBondContact O-N 3.21Å; K159-Q214 VanDerWaalsContact NZ-CD 3.28Å; K159-I244 HydrophobicContact CB-CG1 4.26Å; K159-I244 HydrophobicContact CB-CG2 4.07Å; K159-I244 HydrophobicContact CD-CG1 4.4Å; K159-I244 HydrophobicContact CG-CG1 4.14Å; K159-I244 HydrophobicContact CG-CG2 4.47Å
160	D	85.3	Confident	87.6	Confident	84 Å²	84	33.9 Å²	33.9	45%	0.449	17%	0.172	S	C	.	.	H	α-helix	trans	-75.1	-32.2	178.4	56	-31.1	0	0	0	112.4	E163	D160-E163 PolarHBondContact O-N 2.98Å
161	D	85.8	Confident	87.2	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-43.6	171.1	-66.2	-71.9	0	0	0	112.3	M152 M158 E163 N164 V165 N366 S367	M152-D161 HydrophobicContact CE-CB 3.96Å; M158-D161 HydrophobicContact CE-CB 3.84Å; M158-D161 PolarHBondContact O-N 3.44Å; D161-E163 PolarHBondContact O-N 2.98Å; D161-N164 PolarHBondContact O-N 3.42Å; D161-V165 WeakPolarHBondContact O-CG2 3.31Å; D161-V165 PolarHBondContact O-N 3.05Å; D161-N366 WeakPolarHBondContact OD1-CA 3.24Å; D161-S367 WeakPolarHBondContact CB-OG 3.26Å; D161-S367 WeakPolarHBondContact OD1-CB 3.37Å; D161-S367 PolarHBondContact OD1-N 3.27Å; D161-S367 PolarHBondContact OD1-OG 2.88Å
162	L	86.8	Confident	86.7	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-55.2	-40.1	180	-177.3	60.1	0	0	0	111.6	M152 L154 M158 N164 V165 K166 V239 Q242 I244	M152-L162 HydrophobicContact CE-CB 4Å; M152-L162 HydrophobicContact CE-CD1 4.22Å; M152-L162 HydrophobicContact SD-CD1 4.08Å; L154-L162 HydrophobicContact CD2-CD1 4.04Å; L154-L162 HydrophobicContact CD2-CD2 4.25Å; M158-L162 PolarHBondContact O-N 3.3Å; M158-L162 VanDerWaalsContact O-N 3.07Å; L162-N164 VanDerWaalsContact C-N 3.29Å; L162-N164 PolarHBondContact O-N 3.48Å; L162-V165 PolarHBondContact O-N 3.37Å; L162-K166 WeakPolarHBondContact O-CG 3.29Å; L162-K166 PolarHBondContact O-N 3.49Å; L162-K166 VanDerWaalsContact O-N 3.08Å; L162-V239 HydrophobicContact CD1-CG1 4.28Å; L162-Q242 HydrophobicContact CD1-CB 4.43Å; L162-I244 HydrophobicContact CD2-CG2 4.17Å
163	E	84.3	Confident	86.3	Confident	97 Å²	97	38 Å²	38	45%	0.453	20%	0.197	S	C	.	.	H	α-helix	trans	-61.1	-35.5	179.4	-65.8	-56.4	149.3	0	0	113.3	D160 D161 K166	D160-E163 PolarHBondContact O-N 2.98Å; D161-E163 PolarHBondContact O-N 2.98Å; E163-K166 IonicContact OE1-NZ 2.71Å; E163-K166 PolarHBondContact OE1-NZ 3.05Å; E163-K166 IonicContact OE2-NZ 2.84Å; E163-K166 PolarHBondContact OE2-NZ 2.9Å
164	N	79.5	Confident	85.9	Confident	73 Å²	73	42.8 Å²	42.8	39%	0.39	22%	0.223	S	C	.	.	H	α-helix	trans	-79.5	-32.3	176.7	-70.8	-51.8	0	0	0	112.1	D161 L162 K166 N167 N366	D161-N164 PolarHBondContact O-N 3.42Å; L162-N164 VanDerWaalsContact C-N 3.29Å; L162-N164 PolarHBondContact O-N 3.48Å; N164-K166 VanDerWaalsContact C-N 3.31Å; N164-K166 PolarHBondContact O-N 3.28Å; N164-N167 PolarHBondContact O-N 3.43Å; N164-N366 VanDerWaalsContact CB-O 3.32Å; N164-N366 WeakPolarHBondContact CB-O 3.26Å; N164-N366 PolarHBondContact ND2-O 3.01Å
165	V	81.9	Confident	85.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-70.8	-24.8	178.1	-178.5	0	0	0	0	112.4	Y150 M152 D161 L162 N167 L168 F187 V239	Y150-V165 HydrophobicContact CE1-CG1 4.06Å; M152-V165 HydrophobicContact CE-CB 4.37Å; M152-V165 HydrophobicContact CE-CG2 3.99Å; M152-V165 HydrophobicContact SD-CB 4.01Å; M152-V165 HydrophobicContact SD-CG1 3.9Å; M152-V165 HydrophobicContact SD-CG2 3.97Å; D161-V165 WeakPolarHBondContact O-CG2 3.31Å; D161-V165 PolarHBondContact O-N 3.05Å; L162-V165 PolarHBondContact O-N 3.37Å; V165-N167 PolarHBondContact O-N 2.86Å; V165-N167 VanDerWaalsContact O-N 3.13Å; V165-L168 HydrophobicContact CG1-CB 4.31Å; V165-L168 HydrophobicContact CG1-CD2 4.05Å; V165-L168 WeakPolarHBondContact O-CB 3.39Å; V165-L168 PolarHBondContact O-N 3.38Å; V165-F187 HydrophobicContact CG1-CE2 4.33Å; V165-V239 HydrophobicContact CG1-CG1 4.07Å
166	K	82.7	Confident	85.3	Confident	43 Å²	43	45.9 Å²	45.9	19%	0.187	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.8	175.7	-72.3	177.5	-170.8	169.1	0	114.4	L162 E163 N164 N236 V239	L162-K166 WeakPolarHBondContact O-CG 3.29Å; L162-K166 PolarHBondContact O-N 3.49Å; L162-K166 VanDerWaalsContact O-N 3.08Å; E163-K166 IonicContact OE1-NZ 2.71Å; E163-K166 PolarHBondContact OE1-NZ 3.05Å; E163-K166 IonicContact OE2-NZ 2.84Å; E163-K166 PolarHBondContact OE2-NZ 2.9Å; N164-K166 VanDerWaalsContact C-N 3.31Å; N164-K166 PolarHBondContact O-N 3.28Å; K166-N236 WeakPolarHBondContact O-CA 3.39Å; K166-N236 WeakPolarHBondContact O-CB 3.44Å; K166-V239 HydrophobicContact CG-CG1 4.39Å
167	N	74.7	Confident	84.9	Confident	109 Å²	109	44.7 Å²	44.7	58%	0.583	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	6.5	179.3	-63.3	-53.5	0	0	0	113.2	N164 V165 S171	N164-N167 PolarHBondContact O-N 3.43Å; V165-N167 PolarHBondContact O-N 2.86Å; V165-N167 VanDerWaalsContact O-N 3.13Å; N167-S171 PolarHBondContact O-OG 3.3Å; N167-S171 VanDerWaalsContact O-OG 3.12Å
168	L	79.8	Confident	84.8	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-70.4	-40.1	-174.7	-179.6	60.3	0	0	0	112.4	Y150 V165 T170 S171 L172 F235 V370 I371	Y150-L168 HydrophobicContact CD2-CD2 3.96Å; Y150-L168 HydrophobicContact CE2-CD2 3.56Å; V165-L168 HydrophobicContact CG1-CB 4.31Å; V165-L168 HydrophobicContact CG1-CD2 4.05Å; V165-L168 WeakPolarHBondContact O-CB 3.39Å; V165-L168 PolarHBondContact O-N 3.38Å; L168-T170 PolarHBondContact O-N 3.26Å; L168-S171 PolarHBondContact O-N 2.94Å; L168-L172 HydrophobicContact CD1-CB 4.07Å; L168-L172 HydrophobicContact CG-CB 4.28Å; L168-L172 HydrophobicContact CG-CD2 4.44Å; L168-L172 VanDerWaalsContact O-CB 3.22Å; L168-L172 WeakPolarHBondContact O-CB 3.22Å; L168-L172 PolarHBondContact O-N 3.34Å; L168-F235 HydrophobicContact CB-CE1 4.39Å; L168-V370 HydrophobicContact CD1-CG1 3.47Å; L168-V370 VanDerWaalsContact CD1-CG1 3.47Å; L168-V370 HydrophobicContact CD2-CG1 3.85Å; L168-V370 HydrophobicContact CD2-CG2 4.39Å; L168-V370 HydrophobicContact CG-CG1 4.28Å; L168-I371 HydrophobicContact CD1-CD1 3.85Å; L168-I371 HydrophobicContact CD1-CG1 3.27Å
169	G	79.9	Confident	84.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-55.8	-56.3	-168.6	0	0	0	0	0	113.3	S171 M173 N236	G169-S171 PolarHBondContact O-N 2.91Å; G169-M173 WeakPolarHBondContact O-CB 3.25Å; G169-M173 VanDerWaalsContact O-CG 3.23Å; G169-M173 WeakPolarHBondContact O-CG 3.42Å; G169-M173 PolarHBondContact O-N 3.43Å; G169-N236 WeakPolarHBondContact CA-OD1 3.21Å; G169-N236 PolarHBondContact N-OD1 2.95Å
170	T	84.8	Confident	84.5	Confident	54 Å²	54	47 Å²	47	33%	0.331	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-40.3	177.9	42.9	0	0	0	0	113.2	L168 N174 N236	L168-T170 PolarHBondContact O-N 3.26Å; T170-N174 PolarHBondContact O-N 3.16Å; T170-N174 PolarHBondContact O-ND2 3.3Å; T170-N236 VanDerWaalsContact CG2-ND2 3.34Å; T170-N236 WeakPolarHBondContact CG2-ND2 3.42Å; T170-N236 PolarHBondContact N-OD1 3.42Å; T170-N236 PolarHBondContact OG1-ND2 3.31Å
171	S	86.4	Confident	84.5	Confident	50 Å²	50	45.9 Å²	45.9	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-68.4	-44.9	-177.6	-55	0	0	0	0	111.4	N167 L168 G169 N174 E175	N167-S171 PolarHBondContact O-OG 3.3Å; N167-S171 VanDerWaalsContact O-OG 3.12Å; L168-S171 PolarHBondContact O-N 2.94Å; G169-S171 PolarHBondContact O-N 2.91Å; S171-N174 PolarHBondContact O-N 3.49Å; S171-E175 PolarHBondContact O-N 2.94Å; S171-E175 VanDerWaalsContact O-N 3.09Å
172	L	87.3	Confident	84.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-43.3	176.3	-178.2	60.7	0	0	0	111.1	L148 L168 N174 E175 M176 I185 I371 I374	L148-L172 HydrophobicContact CD1-CD2 4.26Å; L148-L172 HydrophobicContact CD2-CD2 4.17Å; L168-L172 HydrophobicContact CD1-CB 4.07Å; L168-L172 HydrophobicContact CG-CB 4.28Å; L168-L172 HydrophobicContact CG-CD2 4.44Å; L168-L172 VanDerWaalsContact O-CB 3.22Å; L168-L172 WeakPolarHBondContact O-CB 3.22Å; L168-L172 PolarHBondContact O-N 3.34Å; L172-N174 VanDerWaalsContact C-N 3.29Å; L172-N174 PolarHBondContact O-N 3.36Å; L172-E175 PolarHBondContact O-N 3.35Å; L172-M176 HydrophobicContact CD1-CG 3.92Å; L172-M176 HydrophobicContact CG-CG 4.15Å; L172-M176 WeakPolarHBondContact O-CB 3.47Å; L172-M176 VanDerWaalsContact O-CG 3.24Å; L172-M176 WeakPolarHBondContact O-CG 3.3Å; L172-M176 PolarHBondContact O-N 3.1Å; L172-I185 HydrophobicContact CD2-CD1 3.93Å; L172-I371 HydrophobicContact CB-CG1 4.49Å; L172-I371 HydrophobicContact CD1-CG1 4.49Å; L172-I371 HydrophobicContact CD1-CG2 4.13Å; L172-I374 HydrophobicContact CD1-CB 4.46Å; L172-I374 HydrophobicContact CD1-CD1 4.16Å; L172-I374 HydrophobicContact CD1-CG2 4.26Å; L172-I374 HydrophobicContact CD2-CD1 3.81Å
173	M	86.8	Confident	84.9	Confident	36 Å²	36	47.9 Å²	47.9	18%	0.177	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-40.7	174.6	-77.7	-163.3	76	0	0	112.2	G169 M176 S177 F183 I185 N230 G232	G169-M173 WeakPolarHBondContact O-CB 3.25Å; G169-M173 VanDerWaalsContact O-CG 3.23Å; G169-M173 WeakPolarHBondContact O-CG 3.42Å; G169-M173 PolarHBondContact O-N 3.43Å; M173-M176 PolarHBondContact O-N 3.14Å; M173-S177 WeakPolarHBondContact O-CB 3.37Å; M173-S177 PolarHBondContact O-N 3.36Å; M173-F183 HydrophobicContact CB-CD1 4.41Å; M173-F183 HydrophobicContact CB-CE1 4.49Å; M173-F183 HydrophobicContact CE-CD1 4.19Å; M173-F183 HydrophobicContact CG-CD1 3.75Å; M173-F183 HydrophobicContact CG-CE1 3.69Å; M173-I185 HydrophobicContact CG-CG2 4.36Å; M173-I185 HydrophobicContact SD-CG2 4.17Å; M173-N230 WeakPolarHBondContact CE-O 3.47Å; M173-G232 WeakPolarHBondContact SD-CA 3.48Å; M173-G232 PolarHBondContact SD-N 3.44Å
174	N	88.8	Confident	85.4	Confident	101 Å²	101	45.8 Å²	45.8	54%	0.54	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-42.8	176.9	-72.2	-22.9	0	0	0	112.1	T170 S171 L172 S177	T170-N174 PolarHBondContact O-N 3.16Å; T170-N174 PolarHBondContact O-ND2 3.3Å; S171-N174 PolarHBondContact O-N 3.49Å; L172-N174 VanDerWaalsContact C-N 3.29Å; L172-N174 PolarHBondContact O-N 3.36Å; N174-S177 PolarHBondContact O-N 3.25Å; N174-S177 PolarHBondContact O-OG 3.23Å
175	E	89.3	Confident	86.1	Confident	65 Å²	65	42.3 Å²	42.3	30%	0.304	23%	0.227	S	C	.	.	H	α-helix	trans	-69	-42.7	176.4	-69.5	-55.7	130.7	0	0	112.2	S171 L172 S177 K178 I371 I375	S171-E175 PolarHBondContact O-N 2.94Å; S171-E175 VanDerWaalsContact O-N 3.09Å; L172-E175 PolarHBondContact O-N 3.35Å; E175-S177 PolarHBondContact O-N 3.16Å; E175-K178 WeakPolarHBondContact O-CB 3.23Å; E175-K178 PolarHBondContact O-N 2.64Å; E175-K178 VanDerWaalsContact O-N 3.14Å; E175-K178 IonicContact OE1-NZ 2.69Å; E175-K178 PolarHBondContact OE1-NZ 3.35Å; E175-K178 WeakPolarHBondContact OE2-CE 3.37Å; E175-K178 IonicContact OE2-NZ 2.68Å; E175-K178 PolarHBondContact OE2-NZ 3.39Å; E175-I371 HydrophobicContact CB-CG2 4.04Å; E175-I371 HydrophobicContact CG-CG2 3.81Å; E175-I375 HydrophobicContact CB-CD1 3.87Å; E175-I375 HydrophobicContact CG-CD1 4.45Å
176	M	86.6	Confident	86.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-28.1	177.1	-68.9	-60.8	-70.8	0	0	112.3	I146 L172 M173 K178 I179 T180 F183 I375	I146-M176 HydrophobicContact CD1-CE 3.7Å; I146-M176 HydrophobicContact CG2-CE 4.08Å; L172-M176 HydrophobicContact CD1-CG 3.92Å; L172-M176 HydrophobicContact CG-CG 4.15Å; L172-M176 WeakPolarHBondContact O-CB 3.47Å; L172-M176 VanDerWaalsContact O-CG 3.24Å; L172-M176 WeakPolarHBondContact O-CG 3.3Å; L172-M176 PolarHBondContact O-N 3.1Å; M173-M176 PolarHBondContact O-N 3.14Å; M176-K178 PolarHBondContact O-N 3.41Å; M176-I179 PolarHBondContact O-N 2.62Å; M176-I179 HydrophobicContact SD-CD1 4.22Å; M176-T180 PolarHBondContact O-N 3.14Å; M176-F183 HydrophobicContact CB-CD1 4.1Å; M176-F183 HydrophobicContact CB-CD2 3.93Å; M176-F183 HydrophobicContact CB-CE1 4.19Å; M176-F183 HydrophobicContact CB-CE2 4.04Å; M176-F183 HydrophobicContact CB-CG 3.96Å; M176-F183 HydrophobicContact CB-CZ 4.17Å; M176-F183 HydrophobicContact CE-CD2 3.99Å; M176-F183 HydrophobicContact CE-CE2 3.72Å; M176-F183 HydrophobicContact CG-CD2 4.21Å; M176-F183 HydrophobicContact CG-CE1 4.24Å; M176-F183 HydrophobicContact CG-CE2 3.81Å; M176-F183 HydrophobicContact CG-CZ 3.82Å; M176-I375 HydrophobicContact SD-CG1 4.46Å
177	S	84.8	Confident	87.5	Confident	73 Å²	73	40.2 Å²	40.2	51%	0.51	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.6	175	79.3	0	0	0	0	113.8	M173 N174 E175 I179 T180	M173-S177 WeakPolarHBondContact O-CB 3.37Å; M173-S177 PolarHBondContact O-N 3.36Å; N174-S177 PolarHBondContact O-N 3.25Å; N174-S177 PolarHBondContact O-OG 3.23Å; E175-S177 PolarHBondContact O-N 3.16Å; S177-I179 VanDerWaalsContact C-N 3.29Å; S177-T180 VanDerWaalsContact CA-O 3.31Å; S177-T180 WeakPolarHBondContact CA-O 3.46Å
178	K	87.1	Confident	88.6	Confident	148 Å²	148	35 Å²	35	64%	0.643	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.2	174.8	-56.8	175.3	-171.1	166.3	0	112.3	E175 M176	E175-K178 WeakPolarHBondContact O-CB 3.23Å; E175-K178 PolarHBondContact O-N 2.64Å; E175-K178 VanDerWaalsContact O-N 3.14Å; E175-K178 IonicContact OE1-NZ 2.69Å; E175-K178 PolarHBondContact OE1-NZ 3.35Å; E175-K178 WeakPolarHBondContact OE2-CE 3.37Å; E175-K178 IonicContact OE2-NZ 2.68Å; E175-K178 PolarHBondContact OE2-NZ 3.39Å; M176-K178 PolarHBondContact O-N 3.41Å
179	I	84.6	Confident	89.4	Confident	39 Å²	39	34.8 Å²	34.8	20%	0.2	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-44.7	-177.5	-58.1	175.8	0	0	0	110.5	I146 M176 S177 I375 Y378	I146-I179 HydrophobicContact CD1-CG2 4.45Å; M176-I179 PolarHBondContact O-N 2.62Å; M176-I179 HydrophobicContact SD-CD1 4.22Å; S177-I179 VanDerWaalsContact C-N 3.29Å; I179-I375 HydrophobicContact CD1-CG2 4.28Å; I179-Y378 HydrophobicContact CD1-CD1 4.37Å; I179-Y378 HydrophobicContact CG2-CE1 3.7Å
180	T	86.6	Confident	90.3	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	19%	0.189	C	C	.	.			trans	-139.8	138.5	-179.7	-174.3	0	0	0	0	111.3	D143 Y144 I146 M176 S177 D182 F183	D143-T180 VanDerWaalsContact OD1-CA 3.31Å; D143-T180 WeakPolarHBondContact OD1-CA 3.45Å; D143-T180 PolarHBondContact OD1-OG1 3.34Å; Y144-T180 VanDerWaalsContact O-CB 3.31Å; Y144-T180 WeakPolarHBondContact O-CB 3.34Å; Y144-T180 PolarHBondContact O-OG1 2.84Å; I146-T180 HydrophobicContact CB-CG2 4.09Å; I146-T180 HydrophobicContact CD1-CG2 3.8Å; I146-T180 HydrophobicContact CG1-CG2 3.97Å; M176-T180 PolarHBondContact O-N 3.14Å; S177-T180 VanDerWaalsContact CA-O 3.31Å; S177-T180 WeakPolarHBondContact CA-O 3.46Å; T180-D182 VanDerWaalsContact C-N 3.29Å; T180-D182 PolarHBondContact OG1-N 2.66Å; T180-F183 HydrophobicContact CG2-CB 4.02Å; T180-F183 HydrophobicContact CG2-CD2 4.46Å
181	S	85.3	Confident	90.9	Very high	59 Å²	59	32.2 Å²	32.2	41%	0.413	17%	0.173	S	C	.	.	S	Bend	trans	-81.3	-11.2	175.4	68	0	0	0	0	112.2	K108 D143	K108-S181 WeakPolarHBondContact CE-OG 3.46Å; K108-S181 VanDerWaalsContact NZ-C 3.28Å; K108-S181 PolarHBondContact NZ-O 3.31Å; K108-S181 PolarHBondContact NZ-OG 2.85Å; D143-S181 VanDerWaalsContact CG-OG 3.27Å; D143-S181 WeakPolarHBondContact OD1-CB 3.47Å; D143-S181 PolarHBondContact OD1-N 3.33Å; D143-S181 PolarHBondContact OD1-OG 2.88Å; D143-S181 PolarHBondContact OD2-OG 3.2Å
182	D	89.1	Confident	91.3	Very high	37 Å²	37	29.8 Å²	29.8	20%	0.198	16%	0.156	C	C	.	.	S	Bend	trans	-124.9	88.1	178.4	-173.1	-0.4	0	0	0	110.9	P145 I146 T180 R271	P145-D182 VanDerWaalsContact CA-O 3.26Å; P145-D182 WeakPolarHBondContact CA-O 3.47Å; P145-D182 HydrophobicContact CB-CB 3.93Å; P145-D182 HydrophobicContact CG-CB 4.21Å; I146-D182 PolarHBondContact N-O 3.42Å; T180-D182 VanDerWaalsContact C-N 3.29Å; T180-D182 PolarHBondContact OG1-N 2.66Å; D182-R271 IonicContact OD1-CZ 2.66Å; D182-R271 IonicContact OD1-NH1 2.7Å; D182-R271 PolarHBondContact OD1-NH1 2.75Å; D182-R271 IonicContact OD1-NH2 3.62Å; D182-R271 PolarHBondContact OD1-NH2 2.79Å; D182-R271 IonicContact OD2-CZ 2.82Å; D182-R271 IonicContact OD2-NH1 3.88Å; D182-R271 PolarHBondContact OD2-NH1 3.12Å
183	F	92.3	Very high	91.8	Very high	13 Å²	13	29.8 Å²	29.8	6%	0.057	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.8	-178.6	-178.1	-110.9	0	0	0	110.9	I146 L148 M173 M176 T180 I185	I146-F183 HydrophobicContact CB-CD2 4.08Å; I146-F183 HydrophobicContact CG2-CD2 4.13Å; I146-F183 HydrophobicContact CG2-CE2 4.13Å; I146-F183 WeakPolarHBondContact O-CA 3.46Å; L148-F183 HydrophobicContact CB-CE2 3.64Å; L148-F183 HydrophobicContact CB-CZ 3.74Å; L148-F183 HydrophobicContact CD1-CE2 4.4Å; L148-F183 HydrophobicContact CD1-CZ 4.32Å; L148-F183 HydrophobicContact CG-CZ 4.49Å; M173-F183 HydrophobicContact CB-CD1 4.41Å; M173-F183 HydrophobicContact CB-CE1 4.49Å; M173-F183 HydrophobicContact CE-CD1 4.19Å; M173-F183 HydrophobicContact CG-CD1 3.75Å; M173-F183 HydrophobicContact CG-CE1 3.69Å; M176-F183 HydrophobicContact CB-CD1 4.1Å; M176-F183 HydrophobicContact CB-CD2 3.93Å; M176-F183 HydrophobicContact CB-CE1 4.19Å; M176-F183 HydrophobicContact CB-CE2 4.04Å; M176-F183 HydrophobicContact CB-CG 3.96Å; M176-F183 HydrophobicContact CB-CZ 4.17Å; M176-F183 HydrophobicContact CE-CD2 3.99Å; M176-F183 HydrophobicContact CE-CE2 3.72Å; M176-F183 HydrophobicContact CG-CD2 4.21Å; M176-F183 HydrophobicContact CG-CE1 4.24Å; M176-F183 HydrophobicContact CG-CE2 3.81Å; M176-F183 HydrophobicContact CG-CZ 3.82Å; T180-F183 HydrophobicContact CG2-CB 4.02Å; T180-F183 HydrophobicContact CG2-CD2 4.46Å; F183-I185 HydrophobicContact CE1-CB 3.89Å; F183-I185 HydrophobicContact CE1-CD1 4.48Å; F183-I185 HydrophobicContact CZ-CB 4.24Å
184	K	95.1	Very high	92.1	Very high	53 Å²	53	30.5 Å²	30.5	23%	0.23	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.2	167.1	-69.1	-173.8	178.6	-168	0	110.9	I146 L148 L228 T229	I146-K184 PolarHBondContact O-N 3.38Å; L148-K184 PolarHBondContact N-O 3.08Å; K184-L228 HydrophobicContact CB-CB 4.23Å; K184-L228 HydrophobicContact CB-CD2 4.27Å; K184-L228 HydrophobicContact CD-CB 4.3Å; K184-T229 CarbonylContact C-O 3.59Å; K184-T229 WeakPolarHBondContact CA-O 3.43Å
185	I	94.9	Very high	92.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.2	176.7	-164.9	170.8	0	0	0	110.8	L148 L172 M173 F183 T229 F235	L148-I185 HydrophobicContact CD2-CD1 4.38Å; L148-I185 HydrophobicContact CD2-CG1 4.11Å; L148-I185 CarbonylContact O-C 3.57Å; L148-I185 VanDerWaalsContact O-CA 3.25Å; L148-I185 WeakPolarHBondContact O-CA 3.3Å; L172-I185 HydrophobicContact CD2-CD1 3.93Å; M173-I185 HydrophobicContact CG-CG2 4.36Å; M173-I185 HydrophobicContact SD-CG2 4.17Å; F183-I185 HydrophobicContact CE1-CB 3.89Å; F183-I185 HydrophobicContact CE1-CD1 4.48Å; F183-I185 HydrophobicContact CZ-CB 4.24Å; I185-T229 PolarHBondContact N-O 3.14Å; I185-T229 PolarHBondContact O-N 3Å; I185-F235 HydrophobicContact CB-CD2 4.5Å; I185-F235 HydrophobicContact CD1-CD2 3.72Å; I185-F235 HydrophobicContact CD1-CE2 3.62Å; I185-F235 HydrophobicContact CD1-CG 4.23Å; I185-F235 HydrophobicContact CD1-CZ 4.06Å; I185-F235 HydrophobicContact CG1-CD2 3.74Å; I185-F235 HydrophobicContact CG1-CE2 3.76Å; I185-F235 HydrophobicContact CG2-CB 4.23Å; I185-F235 HydrophobicContact CG2-CD2 4.08Å; I185-F235 HydrophobicContact CG2-CG 4.42Å
186	G	96.6	Very high	92.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	166.3	174.1	0	0	0	0	0	110.7	L148 Y150 L226	L148-G186 PolarHBondContact O-N 3.5Å; Y150-G186 PolarHBondContact N-O 3.41Å; G186-L226 CarbonylContact C-O 3.53Å; G186-L226 VanDerWaalsContact CA-O 3.23Å; G186-L226 WeakPolarHBondContact CA-O 3.45Å
187	F	97	Very high	93.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.7	-177.8	-172.5	-93	0	0	0	111.7	Y149 Y150 M152 V165 V225 L226 F235 V239 Q242	Y149-F187 PolarHBondContact OH-O 3.12Å; Y150-F187 AromaticContact CD1-CD2 3.96Å; Y150-F187 HydrophobicContact CD1-CD2 3.96Å; Y150-F187 AromaticContact CD1-CE2 3.8Å; Y150-F187 HydrophobicContact CD1-CE2 3.8Å; Y150-F187 HydrophobicContact CE1-CE2 4.42Å; Y150-F187 HydrophobicContact CG-CD2 4.44Å; Y150-F187 CarbonylContact O-C 3.59Å; Y150-F187 WeakPolarHBondContact O-CA 3.13Å; M152-F187 HydrophobicContact CB-CE2 3.77Å; M152-F187 HydrophobicContact CB-CZ 3.68Å; M152-F187 HydrophobicContact CG-CZ 4.41Å; M152-F187 HydrophobicContact SD-CE2 4.14Å; M152-F187 HydrophobicContact SD-CZ 4.11Å; V165-F187 HydrophobicContact CG1-CE2 4.33Å; F187-V225 HydrophobicContact CD1-CB 3.87Å; F187-V225 HydrophobicContact CD1-CG1 4.36Å; F187-V225 HydrophobicContact CD1-CG2 3.92Å; F187-V225 HydrophobicContact CE1-CG2 4.22Å; F187-V225 PolarHBondContact O-N 2.76Å; F187-L226 HydrophobicContact CB-CB 4.11Å; F187-L226 PolarHBondContact N-O 2.75Å; F187-L226 PolarHBondContact O-N 2.91Å; F187-F235 HydrophobicContact CB-CD2 4.11Å; F187-F235 HydrophobicContact CB-CE2 3.73Å; F187-F235 HydrophobicContact CB-CZ 4.48Å; F187-F235 AromaticContact CD2-CE2 3.86Å; F187-F235 HydrophobicContact CD2-CE2 3.86Å; F187-F235 AromaticContact CD2-CZ 3.79Å; F187-F235 HydrophobicContact CD2-CZ 3.79Å; F187-F235 HydrophobicContact CG-CE2 4.23Å; F187-V239 HydrophobicContact CB-CG2 4.1Å; F187-V239 HydrophobicContact CD1-CG2 3.94Å; F187-V239 HydrophobicContact CD2-CG2 3.5Å; F187-V239 HydrophobicContact CE1-CG2 4.23Å; F187-V239 HydrophobicContact CE2-CG1 4.24Å; F187-V239 HydrophobicContact CE2-CG2 3.81Å; F187-V239 HydrophobicContact CG-CG2 3.57Å; F187-V239 HydrophobicContact CZ-CG1 4.37Å; F187-V239 HydrophobicContact CZ-CG2 4.16Å; F187-Q242 HydrophobicContact CE1-CG 4.01Å
188	G	97.5	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.4	169.8	0	0	0	0	0	110.8	Y149 Y150 L151 M152 K223	Y149-G188 VanDerWaalsContact OH-CA 3.27Å; Y149-G188 WeakPolarHBondContact OH-CA 3.04Å; Y149-G188 PolarHBondContact OH-N 2.97Å; Y150-G188 PolarHBondContact O-N 3.08Å; L151-G188 WeakPolarHBondContact CA-O 3.36Å; M152-G188 PolarHBondContact N-O 3.34Å; G188-K223 CarbonylContact C-O 3.57Å; G188-K223 VanDerWaalsContact CA-O 3.27Å; G188-K223 WeakPolarHBondContact CA-O 3.34Å
189	S	97.1	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.3	177.5	57.8	0	0	0	0	111.3	M152 F220 Y222 K223	M152-S189 CarbonylContact O-C 3.56Å; M152-S189 VanDerWaalsContact O-CA 3.24Å; M152-S189 WeakPolarHBondContact O-CA 3.46Å; S189-F220 WeakPolarHBondContact O-CE2 3.28Å; S189-F220 WeakPolarHBondContact OG-CE2 3.47Å; S189-Y222 VanDerWaalsContact O-CD2 3.28Å; S189-Y222 WeakPolarHBondContact O-CD2 3.28Å; S189-K223 PolarHBondContact N-O 3.41Å; S189-K223 PolarHBondContact O-N 3.14Å
190	F	97.9	Very high	94.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.8	173.1	70.5	-87.7	0	0	0	111.6	L151 M152 D153 L154 S221 Y222 E252 G254 A257 F279	L151-F190 HydrophobicContact CD1-CD1 3.77Å; L151-F190 HydrophobicContact CD1-CE1 4.48Å; L151-F190 HydrophobicContact CD2-CD1 4.4Å; L151-F190 HydrophobicContact CG-CD1 3.74Å; L151-F190 HydrophobicContact CG-CE1 3.99Å; M152-F190 WeakPolarHBondContact O-CD1 3.09Å; M152-F190 PolarHBondContact O-N 3.49Å; D153-F190 HydrophobicContact CB-CE1 4.04Å; D153-F190 HydrophobicContact CB-CE2 3.93Å; D153-F190 HydrophobicContact CB-CZ 3.58Å; L154-F190 PolarHBondContact N-O 3.29Å; F190-S221 WeakPolarHBondContact CA-O 3.44Å; F190-S221 WeakPolarHBondContact CB-O 3.31Å; F190-Y222 HydrophobicContact CB-CD2 4.5Å; F190-E252 HydrophobicContact CD2-CB 4.49Å; F190-E252 HydrophobicContact CE2-CB 3.99Å; F190-G254 VanDerWaalsContact CD2-CA 3.42Å; F190-A257 HydrophobicContact CB-CB 3.65Å; F190-A257 HydrophobicContact CD1-CB 4.21Å; F190-A257 HydrophobicContact CG-CB 4.04Å; F190-F279 HydrophobicContact CD1-CE2 4.31Å; F190-F279 AromaticContact CE1-CD2 3.98Å; F190-F279 HydrophobicContact CE1-CD2 3.98Å; F190-F279 AromaticContact CE1-CE2 3.42Å; F190-F279 HydrophobicContact CE1-CE2 3.42Å; F190-F279 VanDerWaalsContact CE1-CE2 3.42Å; F190-F279 AromaticContact CE1-CZ 3.99Å; F190-F279 HydrophobicContact CE1-CZ 3.99Å; F190-F279 HydrophobicContact CE2-CE2 4.15Å; F190-F279 HydrophobicContact CE2-CZ 4.1Å; F190-F279 HydrophobicContact CZ-CD2 4.23Å; F190-F279 HydrophobicContact CZ-CE1 4.35Å; F190-F279 AromaticContact CZ-CE2 3.31Å; F190-F279 HydrophobicContact CZ-CE2 3.31Å; F190-F279 AromaticContact CZ-CZ 3.39Å; F190-F279 HydrophobicContact CZ-CZ 3.39Å
191	V	96.9	Very high	94.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.			trans	-140.1	-89.7	169.5	-171.1	0	0	0	0	106.4	L154 F220 S221 N247 G253	L154-V191 HydrophobicContact CB-CG2 4.23Å; V191-F220 VanDerWaalsContact CB-O 3.32Å; V191-F220 WeakPolarHBondContact CB-O 3.44Å; V191-F220 HydrophobicContact CG2-CD1 4.25Å; V191-F220 HydrophobicContact CG2-CE1 3.8Å; V191-F220 HydrophobicContact CG2-CE2 4.15Å; V191-F220 HydrophobicContact CG2-CZ 3.74Å; V191-F220 PolarHBondContact N-O 3.1Å; V191-S221 PolarHBondContact N-O 3.45Å; V191-N247 HydrophobicContact CG1-CB 4.27Å; V191-G253 PolarHBondContact O-N 3.29Å
192	E	96.9	Very high	95.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.133	C	C	.	.			trans	-159	161.6	-175.9	-166.6	46.5	-77.9	0	0	113.6	T194 Y198 I199 F220 S221 N247 E252 G253 H286 Y319	E192-T194 PolarHBondContact O-N 2.79Å; E192-Y198 VanDerWaalsContact CG-CB 3.43Å; E192-Y198 HydrophobicContact CG-CG 4.2Å; E192-I199 HydrophobicContact CB-CG2 4.45Å; E192-F220 PolarHBondContact N-O 3.08Å; E192-F220 VanDerWaalsContact N-O 3.07Å; E192-F220 CarbonylContact O-C 3.49Å; E192-F220 VanDerWaalsContact O-O 3.11Å; E192-S221 VanDerWaalsContact O-CA 3.26Å; E192-S221 WeakPolarHBondContact O-CA 3.43Å; E192-S221 PolarHBondContact O-N 2.97Å; E192-N247 HydrophobicContact CB-CB 4.21Å; E192-E252 WeakPolarHBondContact OE2-CA 3.39Å; E192-G253 VanDerWaalsContact OE1-CA 3.24Å; E192-G253 WeakPolarHBondContact OE1-CA 3.5Å; E192-G253 WeakPolarHBondContact OE2-CA 3.08Å; E192-G253 PolarHBondContact OE2-N 2.91Å; E192-H286 IonicContact OE2-CD2 3.91Å; E192-H286 PolarHBondContact OE2-CD2 3.39Å; E192-H286 IonicContact OE2-CG 2.85Å; E192-Y319 WeakPolarHBondContact OE1-CE1 3.5Å; E192-Y319 PolarHBondContact OE1-OH 3.31Å; E192-Y319 PolarHBondContact OE2-OH 3.46Å
193	K	96.6	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.			trans	-51.7	130.2	170.1	-68.8	-171.7	-176	-59.8	0	110.2	V195 Y198 D256 I296 S314 Y317 Y319	K193-V195 HydrophobicContact CB-CG2 4.39Å; K193-V195 PolarHBondContact O-N 3.45Å; K193-Y198 HydrophobicContact CB-CD2 3.96Å; K193-Y198 HydrophobicContact CB-CE2 4.39Å; K193-Y198 HydrophobicContact CD-CE2 4.42Å; K193-D256 IonicContact NZ-OD1 2.67Å; K193-D256 IonicContact NZ-OD2 2.74Å; K193-D256 PolarHBondContact NZ-OD2 2.04Å; K193-I296 HydrophobicContact CD-CD1 3.69Å; K193-S314 WeakPolarHBondContact CD-O 3.39Å; K193-S314 PolarHBondContact NZ-O 2.82Å; K193-Y317 PolarHBondContact NZ-O 2.9Å; K193-Y319 HydrophobicContact CD-CD1 4.38Å; K193-Y319 HydrophobicContact CD-CE1 3.71Å; K193-Y319 HydrophobicContact CD-CE2 3.9Å; K193-Y319 VanDerWaalsContact CD-CZ 3.44Å; K193-Y319 WeakPolarHBondContact CD-OH 3.5Å; K193-Y319 VanDerWaalsContact CE-CD1 3.5Å; K193-Y319 HydrophobicContact CG-CE1 3.75Å
194	T	94.1	Very high	95.3	Very high	50 Å²	50	29.4 Å²	29.4	31%	0.307	18%	0.182	S	C	.	.	S	Bend	trans	-84.4	46.5	-172.7	59.3	0	0	0	0	112.9	E192 I199 P219	E192-T194 PolarHBondContact O-N 2.79Å; T194-I199 VanDerWaalsContact CA-CD1 3.41Å; T194-I199 HydrophobicContact CG2-CD1 4.33Å; T194-P219 HydrophobicContact CG2-CB 4.37Å; T194-P219 WeakPolarHBondContact CG2-O 3.3Å
195	V	94.8	Very high	95.1	Very high	28 Å²	28	29.6 Å²	29.6	17%	0.17	18%	0.182	C	C	.	.	S	Bend	trans	-131.9	156.3	177.5	-58.3	0	0	0	0	110.6	K193 Y198 I199 I296 H315	K193-V195 HydrophobicContact CB-CG2 4.39Å; K193-V195 PolarHBondContact O-N 3.45Å; V195-Y198 HydrophobicContact CG2-CD2 3.6Å; V195-Y198 HydrophobicContact CG2-CE2 3.54Å; V195-Y198 WeakPolarHBondContact O-CD2 3.24Å; V195-Y198 PolarHBondContact O-N 2.92Å; V195-Y198 VanDerWaalsContact O-N 3.13Å; V195-I199 PolarHBondContact O-N 2.62Å; V195-I296 HydrophobicContact CG2-CD1 3.93Å; V195-H315 HydrophobicContact CG1-CB 3.78Å
196	M	94.3	Very high	94.9	Very high	92 Å²	92	32.8 Å²	32.8	45%	0.453	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	145.9	167.2	-76	-70.1	-62.3	0	0	109.3	T201 G294	M196-T201 HydrophobicContact CG-CG2 3.81Å; M196-T201 WeakPolarHBondContact CG-OG1 3.44Å; M196-G294 WeakPolarHBondContact O-CA 3.36Å
197	P	95.2	Very high	94.7	Very high	46 Å²	46	39 Å²	39	30%	0.299	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.2	-0.4	3.5	35.9	-36.3	0	0	0	115.4	I199 L293	P197-I199 PolarHBondContact O-N 3.19Å; P197-L293 HydrophobicContact CG-CB 3.98Å
198	Y	95.7	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-32.9	-170.5	-35.1	-69.3	0	0	0	113.3	E192 K193 V195 L248 D249 D290 G291 G294	E192-Y198 VanDerWaalsContact CG-CB 3.43Å; E192-Y198 HydrophobicContact CG-CG 4.2Å; K193-Y198 HydrophobicContact CB-CD2 3.96Å; K193-Y198 HydrophobicContact CB-CE2 4.39Å; K193-Y198 HydrophobicContact CD-CE2 4.42Å; V195-Y198 HydrophobicContact CG2-CD2 3.6Å; V195-Y198 HydrophobicContact CG2-CE2 3.54Å; V195-Y198 WeakPolarHBondContact O-CD2 3.24Å; V195-Y198 PolarHBondContact O-N 2.92Å; V195-Y198 VanDerWaalsContact O-N 3.13Å; Y198-L248 WeakPolarHBondContact O-CB 2.95Å; Y198-L248 PolarHBondContact O-N 2.9Å; Y198-D249 VanDerWaalsContact CA-OD1 3.3Å; Y198-D249 WeakPolarHBondContact CA-OD1 3.15Å; Y198-D249 WeakPolarHBondContact CD1-OD2 3.49Å; Y198-D290 PolarHBondContact OH-O 3.48Å; Y198-G291 VanDerWaalsContact OH-C 3.28Å; Y198-G291 WeakPolarHBondContact OH-CA 3.32Å; Y198-G291 PolarHBondContact OH-O 3.35Å; Y198-G294 PolarHBondContact OH-N 3.07Å; Y198-G294 VanDerWaalsContact OH-N 3.1Å
199	I	94.5	Very high	94.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	25%	0.249	C	C	.	.	S	Bend	trans	-125.9	159.1	171.4	68	151	0	0	0	111.2	E192 T194 V195 P197 T201 L206 P219 N247	E192-I199 HydrophobicContact CB-CG2 4.45Å; T194-I199 VanDerWaalsContact CA-CD1 3.41Å; T194-I199 HydrophobicContact CG2-CD1 4.33Å; V195-I199 PolarHBondContact O-N 2.62Å; P197-I199 PolarHBondContact O-N 3.19Å; I199-T201 HydrophobicContact CG1-CG2 4.41Å; I199-T201 PolarHBondContact O-N 3.42Å; I199-L206 HydrophobicContact CD1-CD2 3.63Å; I199-P219 HydrophobicContact CB-CB 4.45Å; I199-P219 HydrophobicContact CD1-CB 3.99Å; I199-P219 HydrophobicContact CD1-CG 4.14Å; I199-P219 HydrophobicContact CG2-CB 3.93Å; I199-P219 HydrophobicContact CG2-CG 4.4Å; I199-N247 HydrophobicContact CG2-CB 4.37Å
200	S	93.8	Very high	93.9	Very high	34 Å²	34	42.6 Å²	42.6	24%	0.238	25%	0.253	C	S	.	.			trans	-77.4	115.8	168.1	-176	0	0	0	0	111.1	T202	S200-T202 PolarHBondContact O-N 3.48Å; S200-T202 PolarHBondContact OG-OG1 2.84Å
201	T	93.4	Very high	93.2	Very high	66 Å²	66	47.7 Å²	47.7	41%	0.405	28%	0.284	S	S	.	.			trans	-84.8	11.6	178.4	56.8	0	0	0	0	114.1	M196 I199	M196-T201 HydrophobicContact CG-CG2 3.81Å; M196-T201 WeakPolarHBondContact CG-OG1 3.44Å; I199-T201 HydrophobicContact CG1-CG2 4.41Å; I199-T201 PolarHBondContact O-N 3.42Å
202	T	93.9	Very high	92.2	Very high	71 Å²	71	51 Å²	51	44%	0.436	32%	0.319	S	S	.	.	S	Bend	trans	-68.1	140.1	173.7	64.6	0	0	0	0	110	S200 A204 K205 L206	S200-T202 PolarHBondContact O-N 3.48Å; S200-T202 PolarHBondContact OG-OG1 2.84Å; T202-A204 PolarHBondContact O-N 2.87Å; T202-A204 VanDerWaalsContact O-N 3.1Å; T202-K205 PolarHBondContact O-N 2.9Å; T202-K205 WeakPolarHBondContact OG1-CB 3.49Å; T202-K205 WeakPolarHBondContact OG1-CG 3.49Å; T202-L206 PolarHBondContact O-N 3.02Å
203	P	93.6	Very high	91.2	Very high	104 Å²	104	59.8 Å²	59.8	68%	0.675	37%	0.365	S	S	*	.	H	α-helix	trans	-54.1	-36.6	-175.3	-29.8	35.5	0	0	0	114.5	L207	P203-L207 WeakPolarHBondContact O-CG 3.38Å; P203-L207 PolarHBondContact O-N 3.49Å
204	A	91	Very high	90.5	Very high	72 Å²	72	62.7 Å²	62.7	60%	0.595	38%	0.379	S	S	*	.	H	α-helix	trans	-66	-41.1	176.6	0	0	0	0	0	112.4	T202 L207 N208	T202-A204 PolarHBondContact O-N 2.87Å; T202-A204 VanDerWaalsContact O-N 3.1Å; A204-L207 PolarHBondContact O-N 2.89Å; A204-N208 PolarHBondContact O-N 2.67Å
205	K	91.1	Very high	90.1	Very high	57 Å²	57	66.3 Å²	66.3	25%	0.248	40%	0.397	C	S	.	.	H	α-helix	trans	-78.4	-25.6	-179.8	-70.2	-61.5	-163.9	168.2	0	114	T202 L207 N208 P209 C210	T202-K205 PolarHBondContact O-N 2.9Å; T202-K205 WeakPolarHBondContact OG1-CB 3.49Å; T202-K205 WeakPolarHBondContact OG1-CG 3.49Å; K205-L207 VanDerWaalsContact C-N 3.29Å; K205-N208 WeakPolarHBondContact CA-O 3.46Å; K205-N208 WeakPolarHBondContact CD-O 3.41Å; K205-N208 CarbonylContact O-C 3.52Å; K205-N208 VanDerWaalsContact O-C 3.27Å; K205-P209 PolarHBondContact NZ-O 2.99Å; K205-P209 VanDerWaalsContact O-CA 3.28Å; K205-P209 WeakPolarHBondContact O-CA 3.24Å; K205-P209 VanDerWaalsContact O-N 3.12Å; K205-C210 PolarHBondContact NZ-O 3Å
206	L	92.1	Very high	89.9	Confident	67 Å²	67	65.2 Å²	65.2	35%	0.351	39%	0.39	S	S	.	.	H	α-helix	trans	-67.1	-32.6	169.1	-71	174.6	0	0	0	112	I199 T202 S218	I199-L206 HydrophobicContact CD1-CD2 3.63Å; T202-L206 PolarHBondContact O-N 3.02Å; L206-S218 WeakPolarHBondContact O-CA 3.31Å; L206-S218 WeakPolarHBondContact O-CB 3.3Å; L206-S218 PolarHBondContact O-OG 2.93Å
207	L	91.6	Very high	89.9	Confident	132 Å²	132	62.9 Å²	62.9	69%	0.691	38%	0.381	S	S	*	.	H	α-helix	trans	-78.7	-42	174.6	-69.9	171.3	0	0	0	112.2	P203 A204 K205	P203-L207 WeakPolarHBondContact O-CG 3.38Å; P203-L207 PolarHBondContact O-N 3.49Å; A204-L207 PolarHBondContact O-N 2.89Å; K205-L207 VanDerWaalsContact C-N 3.29Å
208	N	92.9	Very high	89.8	Confident	40 Å²	40	63.2 Å²	63.2	21%	0.214	38%	0.384	C	S	.	.			trans	-142.6	102.3	176.4	-177.2	3.6	0	0	0	110.5	A204 K205 C210 Q214 C216	A204-N208 PolarHBondContact O-N 2.67Å; K205-N208 WeakPolarHBondContact CA-O 3.46Å; K205-N208 WeakPolarHBondContact CD-O 3.41Å; K205-N208 CarbonylContact O-C 3.52Å; K205-N208 VanDerWaalsContact O-C 3.27Å; N208-C210 VanDerWaalsContact C-N 3.28Å; N208-C210 PolarHBondContact O-N 3.35Å; N208-C210 PolarHBondContact OD1-N 3.15Å; N208-Q214 PolarHBondContact ND2-O 2.89Å; N208-C216 WeakPolarHBondContact OD1-CB 3.4Å; N208-C216 PolarHBondContact OD1-N 3.31Å
209	P	93.1	Very high	89.8	Confident	22 Å²	22	64 Å²	64	14%	0.143	39%	0.389	C	S	.	.			trans	-70.3	-25.2	-177	25.6	-32.6	0	0	0	113	K205 C216 T217 P219 G246	K205-P209 PolarHBondContact NZ-O 2.99Å; K205-P209 VanDerWaalsContact O-CA 3.28Å; K205-P209 WeakPolarHBondContact O-CA 3.24Å; K205-P209 VanDerWaalsContact O-N 3.12Å; P209-C216 HydrophobicContact CG-CB 4.14Å; P209-T217 WeakPolarHBondContact CD-O 3.41Å; P209-T217 WeakPolarHBondContact CG-O 3.45Å; P209-P219 HydrophobicContact CB-CG 3.91Å; P209-P219 HydrophobicContact CG-CG 4.02Å; P209-G246 WeakPolarHBondContact CB-O 3.43Å
210	C	89.6	Confident	89.8	Confident	12 Å²	12	64.5 Å²	64.5	8%	0.081	39%	0.391	C	S	.	.	S	Bend	trans	-71.1	166.2	-177	-65	0	0	0	0	113.7	Y156 K205 N208 Q214 C216	Y156-C210 HydrophobicContact CD2-CB 4.47Å; Y156-C210 WeakPolarHBondContact CD2-SG 3.46Å; K205-C210 PolarHBondContact NZ-O 3Å; N208-C210 VanDerWaalsContact C-N 3.28Å; N208-C210 PolarHBondContact O-N 3.35Å; N208-C210 PolarHBondContact OD1-N 3.15Å; C210-Q214 HydrophobicContact CB-CB 4.49Å; C210-C216 HydrophobicContact CB-CB 3.78Å; C210-C216 WeakPolarHBondContact CB-SG 3.43Å; C210-C216 WeakPolarHBondContact SG-CB 3.43Å; C210-C216 CovalentContact SG-SG 1.99Å; C210-C216 PolarHBondContact SG-SG 2.91Å
211	T	82.4	Confident	90	Very high	108 Å²	108	63 Å²	63	66%	0.663	38%	0.381	S	S	*	.			trans	-109.4	155.6	176.8	53.7	0	0	0	0	110.7
212	G	76.3	Confident	90.2	Very high	70 Å²	70	59.9 Å²	59.9	72%	0.722	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-155.6	-178.6	0	0	0	0	0	113.9	Q214	G212-Q214 PolarHBondContact O-N 3.41Å
213	D	75.4	Confident	90.4	Very high	183 Å²	183	58.6 Å²	58.6	98%	0.979	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	10.4	-178.1	-63.1	-37.2	0	0	0	113.7
214	Q	80.9	Confident	90.6	Very high	62 Å²	62	53.8 Å²	53.8	29%	0.29	32%	0.319	S	S	.	.			trans	-86.1	131.9	-179.7	-63.1	-151.6	23.9	0	0	111.4	Y156 K159 N208 C210 G212	Y156-Q214 PolarHBondContact OH-NE2 3.45Å; K159-Q214 VanDerWaalsContact NZ-CD 3.28Å; N208-Q214 PolarHBondContact ND2-O 2.89Å; C210-Q214 HydrophobicContact CB-CB 4.49Å; G212-Q214 PolarHBondContact O-N 3.41Å
215	N	86.7	Confident	90.9	Very high	126 Å²	126	51.9 Å²	51.9	67%	0.674	30%	0.3	S	S	*	.			trans	-97.9	119.8	176.7	-162.3	25	0	0	0	109.5
216	C	90.9	Very high	91.1	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.027	29%	0.291	C	S	.	.			trans	-122.8	153.1	-177	-59.6	0	0	0	0	110.7	N208 P209 C210 I244	N208-C216 WeakPolarHBondContact OD1-CB 3.4Å; N208-C216 PolarHBondContact OD1-N 3.31Å; P209-C216 HydrophobicContact CG-CB 4.14Å; C210-C216 HydrophobicContact CB-CB 3.78Å; C210-C216 WeakPolarHBondContact CB-SG 3.43Å; C210-C216 WeakPolarHBondContact SG-CB 3.43Å; C210-C216 CovalentContact SG-SG 1.99Å; C210-C216 PolarHBondContact SG-SG 2.91Å; C216-I244 WeakPolarHBondContact CA-O 3.18Å; C216-I244 HydrophobicContact CB-CD1 3.93Å; C216-I244 WeakPolarHBondContact CB-O 3.49Å; C216-I244 WeakPolarHBondContact SG-CD1 3.49Å
217	T	93.3	Very high	91.4	Very high	44 Å²	44	49.1 Å²	49.1	27%	0.27	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-72.4	146.1	176.4	-66.7	0	0	0	0	110.5	P209 I244 S245	P209-T217 WeakPolarHBondContact CD-O 3.41Å; P209-T217 WeakPolarHBondContact CG-O 3.45Å; T217-I244 PolarHBondContact N-O 2.94Å; T217-S245 WeakPolarHBondContact O-CB 3.47Å; T217-S245 PolarHBondContact O-OG 2.7Å
218	S	94.3	Very high	91.6	Very high	52 Å²	52	43.5 Å²	43.5	36%	0.364	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-47.9	140.4	172.7	-65.7	0	0	0	0	112.3	L206 F220 S245	L206-S218 WeakPolarHBondContact O-CA 3.31Å; L206-S218 WeakPolarHBondContact O-CB 3.3Å; L206-S218 PolarHBondContact O-OG 2.93Å; S218-F220 WeakPolarHBondContact O-CD1 3.33Å; S218-S245 PolarHBondContact O-OG 3.47Å
219	P	94.1	Very high	91.7	Very high	16 Å²	16	43.1 Å²	43.1	10%	0.104	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-57.9	147.6	178.4	-22.3	32.7	0	0	0	112.6	T194 I199 P209 S245	T194-P219 HydrophobicContact CG2-CB 4.37Å; T194-P219 WeakPolarHBondContact CG2-O 3.3Å; I199-P219 HydrophobicContact CB-CB 4.45Å; I199-P219 HydrophobicContact CD1-CB 3.99Å; I199-P219 HydrophobicContact CD1-CG 4.14Å; I199-P219 HydrophobicContact CG2-CB 3.93Å; I199-P219 HydrophobicContact CG2-CG 4.4Å; P209-P219 HydrophobicContact CB-CG 3.91Å; P209-P219 HydrophobicContact CG-CG 4.02Å; P219-S245 WeakPolarHBondContact CA-OG 3.44Å
220	F	95.9	Very high	91.6	Very high	12 Å²	12	47.8 Å²	47.8	5%	0.053	28%	0.284	C	S	.	.			trans	-154.3	154.2	177.5	61.3	-87.3	0	0	0	109.9	L154 S189 V191 E192 S218 K223	L154-F220 HydrophobicContact CB-CZ 4.45Å; L154-F220 HydrophobicContact CD1-CZ 4.22Å; S189-F220 WeakPolarHBondContact O-CE2 3.28Å; S189-F220 WeakPolarHBondContact OG-CE2 3.47Å; V191-F220 VanDerWaalsContact CB-O 3.32Å; V191-F220 WeakPolarHBondContact CB-O 3.44Å; V191-F220 HydrophobicContact CG2-CD1 4.25Å; V191-F220 HydrophobicContact CG2-CE1 3.8Å; V191-F220 HydrophobicContact CG2-CE2 4.15Å; V191-F220 HydrophobicContact CG2-CZ 3.74Å; V191-F220 PolarHBondContact N-O 3.1Å; E192-F220 PolarHBondContact N-O 3.08Å; E192-F220 VanDerWaalsContact N-O 3.07Å; E192-F220 CarbonylContact O-C 3.49Å; E192-F220 VanDerWaalsContact O-O 3.11Å; S218-F220 WeakPolarHBondContact O-CD1 3.33Å; F220-K223 HydrophobicContact CD1-CD 4.15Å; F220-K223 HydrophobicContact CD2-CB 4.35Å; F220-K223 HydrophobicContact CD2-CD 3.68Å; F220-K223 HydrophobicContact CD2-CG 3.57Å; F220-K223 HydrophobicContact CE1-CD 4.26Å; F220-K223 HydrophobicContact CE2-CB 4.24Å; F220-K223 HydrophobicContact CE2-CD 3.8Å; F220-K223 HydrophobicContact CE2-CG 3.86Å; F220-K223 HydrophobicContact CG-CD 3.86Å; F220-K223 HydrophobicContact CG-CG 4.12Å; F220-K223 HydrophobicContact CZ-CD 4.09Å
221	S	96.4	Very high	91.7	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.021	30%	0.299	C	S	.	.	S	Bend	trans	-78.3	-62	178.3	171	0	0	0	0	111.4	F190 V191 E192 Y311 S314	F190-S221 WeakPolarHBondContact CA-O 3.44Å; F190-S221 WeakPolarHBondContact CB-O 3.31Å; V191-S221 PolarHBondContact N-O 3.45Å; E192-S221 VanDerWaalsContact O-CA 3.26Å; E192-S221 WeakPolarHBondContact O-CA 3.43Å; E192-S221 PolarHBondContact O-N 2.97Å; S221-Y311 WeakPolarHBondContact OG-CD1 3.49Å; S221-S314 VanDerWaalsContact CB-CB 3.42Å
222	Y	98.3	Very high	92	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	142.1	179.7	171.1	-117.5	0	0	0	112.4	Y149 L151 S189 F190 N224 A257 Q260 V261 I268 L306 Y311	Y149-Y222 PolarHBondContact OH-OH 3.36Å; L151-Y222 HydrophobicContact CD1-CD2 4.01Å; L151-Y222 HydrophobicContact CD1-CE2 3.63Å; S189-Y222 VanDerWaalsContact O-CD2 3.28Å; S189-Y222 WeakPolarHBondContact O-CD2 3.28Å; F190-Y222 HydrophobicContact CB-CD2 4.5Å; Y222-N224 HydrophobicContact CE1-CB 4.46Å; Y222-A257 HydrophobicContact CD2-CB 3.45Å; Y222-A257 VanDerWaalsContact CD2-CB 3.45Å; Y222-A257 HydrophobicContact CE2-CB 4.19Å; Y222-A257 HydrophobicContact CG-CB 3.79Å; Y222-Q260 HydrophobicContact CD1-CB 3.62Å; Y222-Q260 HydrophobicContact CD1-CG 4.14Å; Y222-Q260 HydrophobicContact CE1-CB 3.7Å; Y222-V261 HydrophobicContact CE1-CG2 4.41Å; Y222-V261 HydrophobicContact CE2-CG2 4.11Å; Y222-V261 VanDerWaalsContact OH-CG2 3.23Å; Y222-V261 WeakPolarHBondContact OH-CG2 3.49Å; Y222-I268 WeakPolarHBondContact OH-CD1 3.14Å; Y222-L306 HydrophobicContact CD1-CD2 3.79Å; Y222-L306 HydrophobicContact CE1-CD1 4.13Å; Y222-L306 HydrophobicContact CE1-CD2 3.77Å; Y222-L306 HydrophobicContact CE1-CG 4.48Å; Y222-Y311 PolarHBondContact O-N 3.39Å
223	K	97.9	Very high	92.6	Very high	45 Å²	45	45 Å²	45	20%	0.196	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	129.3	173.9	-64.8	174.9	178.7	162.3	0	111	G188 S189 F220 V225 N309 I310	G188-K223 CarbonylContact C-O 3.57Å; G188-K223 VanDerWaalsContact CA-O 3.27Å; G188-K223 WeakPolarHBondContact CA-O 3.34Å; S189-K223 PolarHBondContact N-O 3.41Å; S189-K223 PolarHBondContact O-N 3.14Å; F220-K223 HydrophobicContact CD1-CD 4.15Å; F220-K223 HydrophobicContact CD2-CB 4.35Å; F220-K223 HydrophobicContact CD2-CD 3.68Å; F220-K223 HydrophobicContact CD2-CG 3.57Å; F220-K223 HydrophobicContact CE1-CD 4.26Å; F220-K223 HydrophobicContact CE2-CB 4.24Å; F220-K223 HydrophobicContact CE2-CD 3.8Å; F220-K223 HydrophobicContact CE2-CG 3.86Å; F220-K223 HydrophobicContact CG-CD 3.86Å; F220-K223 HydrophobicContact CG-CG 4.12Å; F220-K223 HydrophobicContact CZ-CD 4.09Å; K223-V225 PolarHBondContact O-N 2.92Å; K223-N309 CarbonylContact C-O 3.58Å; K223-N309 WeakPolarHBondContact CA-O 3.08Å; K223-I310 HydrophobicContact CG-CG1 4.13Å; K223-I310 HydrophobicContact CG-CG2 4.34Å
224	N	97.9	Very high	93.4	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	95.8	167.7	173.1	31.5	0	0	0	109.5	Y149 Y222 Q267 I268 L306 N309	Y149-N224 PolarHBondContact OH-OD1 2.8Å; Y222-N224 HydrophobicContact CE1-CB 4.46Å; N224-Q267 PolarHBondContact ND2-O 3.09Å; N224-Q267 VanDerWaalsContact ND2-O 3.09Å; N224-I268 HydrophobicContact CB-CD1 4.27Å; N224-L306 HydrophobicContact CB-CD1 4.2Å; N224-N309 HydrophobicContact CB-CB 4Å; N224-N309 PolarHBondContact N-O 2.6Å; N224-N309 PolarHBondContact ND2-OD1 3.33Å; N224-N309 WeakPolarHBondContact O-CB 3.32Å
225	V	96.9	Very high	94	Very high	32 Å²	32	35.7 Å²	35.7	19%	0.194	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-44.6	-173.7	-179.7	0	0	0	0	111	F187 K223 L238	F187-V225 HydrophobicContact CD1-CB 3.87Å; F187-V225 HydrophobicContact CD1-CG1 4.36Å; F187-V225 HydrophobicContact CD1-CG2 3.92Å; F187-V225 HydrophobicContact CE1-CG2 4.22Å; F187-V225 PolarHBondContact O-N 2.76Å; K223-V225 PolarHBondContact O-N 2.92Å; V225-L238 HydrophobicContact CG1-CB 4.12Å
226	L	96.4	Very high	94.2	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.063	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	109.8	-175.6	176.6	56.1	0	0	0	110.5	G186 F187 T229 T234 F235 L238	G186-L226 CarbonylContact C-O 3.53Å; G186-L226 VanDerWaalsContact CA-O 3.23Å; G186-L226 WeakPolarHBondContact CA-O 3.45Å; F187-L226 HydrophobicContact CB-CB 4.11Å; F187-L226 PolarHBondContact N-O 2.75Å; F187-L226 PolarHBondContact O-N 2.91Å; L226-T229 HydrophobicContact CD1-CG2 3.92Å; L226-T229 HydrophobicContact CD2-CG2 3.97Å; L226-T229 HydrophobicContact CG-CG2 4.16Å; L226-T234 HydrophobicContact CD1-CG2 4.01Å; L226-T234 HydrophobicContact CD2-CG2 4.46Å; L226-F235 VanDerWaalsContact CD2-CA 3.49Å; L226-F235 HydrophobicContact CD2-CB 3.84Å; L226-F235 HydrophobicContact CD2-CD2 4.1Å; L226-F235 HydrophobicContact CD2-CG 4.39Å; L226-L238 HydrophobicContact CB-CD1 4Å; L226-L238 HydrophobicContact CD1-CD1 3.79Å; L226-L238 HydrophobicContact CD2-CD1 4.31Å; L226-L238 HydrophobicContact CG-CD1 4.24Å
227	P	97.1	Very high	94.3	Very high	53 Å²	53	34.8 Å²	34.8	34%	0.344	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	155.4	165.9	-22.5	33.4	0	0	0	111.9	T229	P227-T229 PolarHBondContact O-N 2.9Å; P227-T229 VanDerWaalsContact O-N 3.13Å
228	L	96.9	Very high	94.3	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.073	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	116.5	-177.5	-75.4	161.4	0	0	0	112.5	D147 L148 Y149 K184 I268 G269 W270	D147-L228 HydrophobicContact CB-CD1 3.95Å; D147-L228 HydrophobicContact CB-CD2 4.06Å; L148-L228 WeakPolarHBondContact O-CD2 3.06Å; Y149-L228 HydrophobicContact CD2-CG 4.46Å; K184-L228 HydrophobicContact CB-CB 4.23Å; K184-L228 HydrophobicContact CB-CD2 4.27Å; K184-L228 HydrophobicContact CD-CB 4.3Å; L228-I268 WeakPolarHBondContact CB-O 3.41Å; L228-I268 HydrophobicContact CD1-CG2 4.02Å; L228-I268 HydrophobicContact CG-CG2 4.36Å; L228-I268 WeakPolarHBondContact CG-O 3Å; L228-I268 PolarHBondContact N-O 2.88Å; L228-G269 WeakPolarHBondContact CD1-O 3.34Å; L228-W270 HydrophobicContact CD1-CD2 3.79Å; L228-W270 HydrophobicContact CD1-CE3 3.43Å; L228-W270 VanDerWaalsContact CD1-CE3 3.43Å; L228-W270 HydrophobicContact CD1-CG 4.33Å; L228-W270 HydrophobicContact CD1-CZ3 3.85Å
229	T	95	Very high	94.1	Very high	33 Å²	33	32.4 Å²	32.4	20%	0.202	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158.7	-177.6	-173.4	0	0	0	0	111.8	K184 I185 L226 P227 N231	K184-T229 CarbonylContact C-O 3.59Å; K184-T229 WeakPolarHBondContact CA-O 3.43Å; I185-T229 PolarHBondContact N-O 3.14Å; I185-T229 PolarHBondContact O-N 3Å; L226-T229 HydrophobicContact CD1-CG2 3.92Å; L226-T229 HydrophobicContact CD2-CG2 3.97Å; L226-T229 HydrophobicContact CG-CG2 4.16Å; P227-T229 PolarHBondContact O-N 2.9Å; P227-T229 VanDerWaalsContact O-N 3.13Å; T229-N231 VanDerWaalsContact C-N 3.33Å; T229-N231 PolarHBondContact OG1-N 2.92Å
230	N	91.8	Very high	93.9	Very high	119 Å²	119	33.2 Å²	33.2	64%	0.636	20%	0.201	S	C	*	.	S	Bend	trans	-92.4	9.5	172.7	64.3	-16.1	0	0	0	112.7	M173	M173-N230 WeakPolarHBondContact CE-O 3.47Å
231	N	91	Very high	93.7	Very high	73 Å²	73	38.7 Å²	38.7	39%	0.39	23%	0.227	S	C	.	.			trans	-109.7	100.4	-178.8	-171.9	-10.4	0	0	0	112.1	T229 A233 T234 F235	T229-N231 VanDerWaalsContact C-N 3.33Å; T229-N231 PolarHBondContact OG1-N 2.92Å; N231-A233 VanDerWaalsContact C-N 3.28Å; N231-A233 PolarHBondContact O-N 2.9Å; N231-A233 WeakPolarHBondContact OD1-CB 3.32Å; N231-A233 PolarHBondContact OD1-N 3.09Å; N231-T234 VanDerWaalsContact CG-OG1 3.29Å; N231-T234 PolarHBondContact ND2-OG1 3.13Å; N231-T234 VanDerWaalsContact ND2-OG1 3.14Å; N231-T234 WeakPolarHBondContact O-CB 3.46Å; N231-T234 PolarHBondContact O-N 3.03Å; N231-T234 PolarHBondContact OD1-N 2.8Å; N231-F235 PolarHBondContact O-N 3.09Å
232	G	87.5	Confident	93.6	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	23%	0.234	C	C	.	.	H	α-helix	trans	-68.4	-23.7	179.6	0	0	0	0	0	114.4	M173 T234 F235 N236	M173-G232 WeakPolarHBondContact SD-CA 3.48Å; M173-G232 PolarHBondContact SD-N 3.44Å; G232-T234 VanDerWaalsContact C-N 3.35Å; G232-F235 WeakPolarHBondContact O-CB 3.26Å; G232-F235 PolarHBondContact O-N 2.94Å; G232-N236 PolarHBondContact O-N 2.8Å; G232-N236 VanDerWaalsContact O-N 3.09Å; G232-N236 PolarHBondContact O-OD1 2.93Å
233	A	90.5	Very high	93.3	Very high	52 Å²	52	45.1 Å²	45.1	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-67.9	-39.3	174.9	0	0	0	0	0	110.8	N231 F235 N236 T237	N231-A233 VanDerWaalsContact C-N 3.28Å; N231-A233 PolarHBondContact O-N 2.9Å; N231-A233 WeakPolarHBondContact OD1-CB 3.32Å; N231-A233 PolarHBondContact OD1-N 3.09Å; A233-F235 VanDerWaalsContact C-N 3.28Å; A233-F235 PolarHBondContact O-N 3.44Å; A233-N236 PolarHBondContact O-N 3Å; A233-T237 PolarHBondContact O-N 2.91Å; A233-T237 PolarHBondContact O-OG1 2.98Å; A233-T237 VanDerWaalsContact O-OG1 3.1Å
234	T	92.1	Very high	93	Very high	50 Å²	50	43.5 Å²	43.5	31%	0.307	25%	0.25	S	S	.	.	H	α-helix	trans	-61.4	-38.7	174.6	-55.3	0	0	0	0	111.7	L226 N231 G232 T237 L238	L226-T234 HydrophobicContact CD1-CG2 4.01Å; L226-T234 HydrophobicContact CD2-CG2 4.46Å; N231-T234 VanDerWaalsContact CG-OG1 3.29Å; N231-T234 PolarHBondContact ND2-OG1 3.13Å; N231-T234 VanDerWaalsContact ND2-OG1 3.14Å; N231-T234 WeakPolarHBondContact O-CB 3.46Å; N231-T234 PolarHBondContact O-N 3.03Å; N231-T234 PolarHBondContact OD1-N 2.8Å; G232-T234 VanDerWaalsContact C-N 3.35Å; T234-T237 PolarHBondContact O-N 2.91Å; T234-L238 HydrophobicContact CG2-CD1 3.84Å; T234-L238 HydrophobicContact CG2-CG 4.36Å; T234-L238 WeakPolarHBondContact O-CB 3.34Å; T234-L238 WeakPolarHBondContact O-CG 3.46Å; T234-L238 PolarHBondContact O-N 2.8Å
235	F	92.2	Very high	92.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.6	-54.4	172.1	-177.6	-78.9	0	0	0	111.1	L168 I185 F187 L226 N231 G232 A233 T237 L238 V239	L168-F235 HydrophobicContact CB-CE1 4.39Å; I185-F235 HydrophobicContact CB-CD2 4.5Å; I185-F235 HydrophobicContact CD1-CD2 3.72Å; I185-F235 HydrophobicContact CD1-CE2 3.62Å; I185-F235 HydrophobicContact CD1-CG 4.23Å; I185-F235 HydrophobicContact CD1-CZ 4.06Å; I185-F235 HydrophobicContact CG1-CD2 3.74Å; I185-F235 HydrophobicContact CG1-CE2 3.76Å; I185-F235 HydrophobicContact CG2-CB 4.23Å; I185-F235 HydrophobicContact CG2-CD2 4.08Å; I185-F235 HydrophobicContact CG2-CG 4.42Å; F187-F235 HydrophobicContact CB-CD2 4.11Å; F187-F235 HydrophobicContact CB-CE2 3.73Å; F187-F235 HydrophobicContact CB-CZ 4.48Å; F187-F235 AromaticContact CD2-CE2 3.86Å; F187-F235 HydrophobicContact CD2-CE2 3.86Å; F187-F235 AromaticContact CD2-CZ 3.79Å; F187-F235 HydrophobicContact CD2-CZ 3.79Å; F187-F235 HydrophobicContact CG-CE2 4.23Å; L226-F235 VanDerWaalsContact CD2-CA 3.49Å; L226-F235 HydrophobicContact CD2-CB 3.84Å; L226-F235 HydrophobicContact CD2-CD2 4.1Å; L226-F235 HydrophobicContact CD2-CG 4.39Å; N231-F235 PolarHBondContact O-N 3.09Å; G232-F235 WeakPolarHBondContact O-CB 3.26Å; G232-F235 PolarHBondContact O-N 2.94Å; A233-F235 VanDerWaalsContact C-N 3.28Å; A233-F235 PolarHBondContact O-N 3.44Å; F235-T237 VanDerWaalsContact C-N 3.29Å; F235-T237 PolarHBondContact O-N 3.41Å; F235-L238 PolarHBondContact O-N 3.39Å; F235-V239 HydrophobicContact CD1-CB 4.47Å; F235-V239 HydrophobicContact CD1-CG2 3.84Å; F235-V239 HydrophobicContact CD2-CG2 4.36Å; F235-V239 HydrophobicContact CE1-CB 4.33Å; F235-V239 HydrophobicContact CE1-CG2 3.63Å; F235-V239 HydrophobicContact CE2-CG2 4.18Å; F235-V239 HydrophobicContact CG-CG2 4.21Å; F235-V239 HydrophobicContact CZ-CG2 3.82Å; F235-V239 VanDerWaalsContact O-CB 3.3Å; F235-V239 WeakPolarHBondContact O-CB 3.48Å; F235-V239 VanDerWaalsContact O-CG2 3.24Å; F235-V239 WeakPolarHBondContact O-CG2 3.49Å; F235-V239 PolarHBondContact O-N 3.09Å
236	N	91.1	Very high	92.5	Very high	31 Å²	31	42.1 Å²	42.1	17%	0.166	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-40.2	-178.6	-67.1	1.9	0	0	0	112.3	K166 G169 T170 G232 A233 G240	K166-N236 WeakPolarHBondContact O-CA 3.39Å; K166-N236 WeakPolarHBondContact O-CB 3.44Å; G169-N236 WeakPolarHBondContact CA-OD1 3.21Å; G169-N236 PolarHBondContact N-OD1 2.95Å; T170-N236 VanDerWaalsContact CG2-ND2 3.34Å; T170-N236 WeakPolarHBondContact CG2-ND2 3.42Å; T170-N236 PolarHBondContact N-OD1 3.42Å; T170-N236 PolarHBondContact OG1-ND2 3.31Å; G232-N236 PolarHBondContact O-N 2.8Å; G232-N236 VanDerWaalsContact O-N 3.09Å; G232-N236 PolarHBondContact O-OD1 2.93Å; A233-N236 PolarHBondContact O-N 3Å; N236-G240 WeakPolarHBondContact O-CA 3.34Å; N236-G240 PolarHBondContact O-N 3.37Å
237	T	93.1	Very high	92.2	Very high	80 Å²	80	43.4 Å²	43.4	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-64.1	-53.7	177.8	-57.9	0	0	0	0	111.5	A233 T234 F235 V239 G240 E241	A233-T237 PolarHBondContact O-N 2.91Å; A233-T237 PolarHBondContact O-OG1 2.98Å; A233-T237 VanDerWaalsContact O-OG1 3.1Å; T234-T237 PolarHBondContact O-N 2.91Å; F235-T237 VanDerWaalsContact C-N 3.29Å; F235-T237 PolarHBondContact O-N 3.41Å; T237-V239 PolarHBondContact O-N 2.68Å; T237-G240 WeakPolarHBondContact O-CA 3.35Å; T237-G240 PolarHBondContact O-N 3.32Å; T237-E241 WeakPolarHBondContact O-CG 3.43Å; T237-E241 PolarHBondContact O-N 2.95Å; T237-E241 VanDerWaalsContact O-N 3.08Å
238	L	93.3	Very high	92	Very high	47 Å²	47	46.2 Å²	46.2	25%	0.246	26%	0.261	C	S	.	.	H	α-helix	trans	-69.9	-34.6	-175.2	-68.4	175.4	0	0	0	112.9	V225 L226 T234 F235 E241 Q242	V225-L238 HydrophobicContact CG1-CB 4.12Å; L226-L238 HydrophobicContact CB-CD1 4Å; L226-L238 HydrophobicContact CD1-CD1 3.79Å; L226-L238 HydrophobicContact CD2-CD1 4.31Å; L226-L238 HydrophobicContact CG-CD1 4.24Å; T234-L238 HydrophobicContact CG2-CD1 3.84Å; T234-L238 HydrophobicContact CG2-CG 4.36Å; T234-L238 WeakPolarHBondContact O-CB 3.34Å; T234-L238 WeakPolarHBondContact O-CG 3.46Å; T234-L238 PolarHBondContact O-N 2.8Å; F235-L238 PolarHBondContact O-N 3.39Å; L238-E241 PolarHBondContact O-N 3.46Å; L238-Q242 WeakPolarHBondContact O-CG 3.44Å; L238-Q242 PolarHBondContact O-NE2 2.78Å
239	V	90.8	Very high	91.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69	-38.7	171.9	175.9	0	0	0	0	110.6	L162 V165 K166 F187 F235 T237 E241 Q242	L162-V239 HydrophobicContact CD1-CG1 4.28Å; V165-V239 HydrophobicContact CG1-CG1 4.07Å; K166-V239 HydrophobicContact CG-CG1 4.39Å; F187-V239 HydrophobicContact CB-CG2 4.1Å; F187-V239 HydrophobicContact CD1-CG2 3.94Å; F187-V239 HydrophobicContact CD2-CG2 3.5Å; F187-V239 HydrophobicContact CE1-CG2 4.23Å; F187-V239 HydrophobicContact CE2-CG1 4.24Å; F187-V239 HydrophobicContact CE2-CG2 3.81Å; F187-V239 HydrophobicContact CG-CG2 3.57Å; F187-V239 HydrophobicContact CZ-CG1 4.37Å; F187-V239 HydrophobicContact CZ-CG2 4.16Å; F235-V239 HydrophobicContact CD1-CB 4.47Å; F235-V239 HydrophobicContact CD1-CG2 3.84Å; F235-V239 HydrophobicContact CD2-CG2 4.36Å; F235-V239 HydrophobicContact CE1-CB 4.33Å; F235-V239 HydrophobicContact CE1-CG2 3.63Å; F235-V239 HydrophobicContact CE2-CG2 4.18Å; F235-V239 HydrophobicContact CG-CG2 4.21Å; F235-V239 HydrophobicContact CZ-CG2 3.82Å; F235-V239 VanDerWaalsContact O-CB 3.3Å; F235-V239 WeakPolarHBondContact O-CB 3.48Å; F235-V239 VanDerWaalsContact O-CG2 3.24Å; F235-V239 WeakPolarHBondContact O-CG2 3.49Å; F235-V239 PolarHBondContact O-N 3.09Å; T237-V239 PolarHBondContact O-N 2.68Å; V239-E241 PolarHBondContact O-N 3.12Å; V239-Q242 WeakPolarHBondContact O-CB 3.46Å; V239-Q242 PolarHBondContact O-N 2.82Å; V239-Q242 VanDerWaalsContact O-N 3.07Å
240	G	89.8	Confident	91.5	Very high	33 Å²	33	50 Å²	50	34%	0.34	29%	0.286	S	S	.	.	H	α-helix	trans	-56.1	-32.1	172.5	0	0	0	0	0	114.5	N236 T237	N236-G240 WeakPolarHBondContact O-CA 3.34Å; N236-G240 PolarHBondContact O-N 3.37Å; T237-G240 WeakPolarHBondContact O-CA 3.35Å; T237-G240 PolarHBondContact O-N 3.32Å
241	E	92.6	Very high	91.7	Very high	126 Å²	126	46.3 Å²	46.3	59%	0.589	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-13.4	178.4	-70.7	171	-174.7	0	0	113.7	T237 L238 V239	T237-E241 WeakPolarHBondContact O-CG 3.43Å; T237-E241 PolarHBondContact O-N 2.95Å; T237-E241 VanDerWaalsContact O-N 3.08Å; L238-E241 PolarHBondContact O-N 3.46Å; V239-E241 PolarHBondContact O-N 3.12Å
242	Q	93.3	Very high	91.9	Very high	38 Å²	38	43 Å²	43	18%	0.178	25%	0.251	C	S	.	.			trans	-70.4	148.4	179	-58.6	-48.5	-64.7	0	0	111.4	L154 L162 F187 L238 V239	L154-Q242 HydrophobicContact CD1-CB 4.13Å; L162-Q242 HydrophobicContact CD1-CB 4.43Å; F187-Q242 HydrophobicContact CE1-CG 4.01Å; L238-Q242 WeakPolarHBondContact O-CG 3.44Å; L238-Q242 PolarHBondContact O-NE2 2.78Å; V239-Q242 WeakPolarHBondContact O-CB 3.46Å; V239-Q242 PolarHBondContact O-N 2.82Å; V239-Q242 VanDerWaalsContact O-N 3.07Å
243	Q	91.6	Very high	92.3	Very high	100 Å²	100	42.8 Å²	42.8	47%	0.467	25%	0.248	S	C	.	.			trans	-127.5	148.5	176.4	-63.3	-179.4	0	0	0	108.9
244	I	92.8	Very high	92.6	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.062	23%	0.228	C	C	.	.			trans	-64.7	156.4	173.5	51.1	66	0	0	0	111.6	Y156 K159 L162 C216 T217	Y156-I244 HydrophobicContact CD2-CD1 4.01Å; Y156-I244 HydrophobicContact CE2-CD1 4.46Å; K159-I244 HydrophobicContact CB-CG1 4.26Å; K159-I244 HydrophobicContact CB-CG2 4.07Å; K159-I244 HydrophobicContact CD-CG1 4.4Å; K159-I244 HydrophobicContact CG-CG1 4.14Å; K159-I244 HydrophobicContact CG-CG2 4.47Å; L162-I244 HydrophobicContact CD2-CG2 4.17Å; C216-I244 WeakPolarHBondContact CA-O 3.18Å; C216-I244 HydrophobicContact CB-CD1 3.93Å; C216-I244 WeakPolarHBondContact CB-O 3.49Å; C216-I244 WeakPolarHBondContact SG-CD1 3.49Å; T217-I244 PolarHBondContact N-O 2.94Å
245	S	94.7	Very high	92.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.			trans	-122.8	-154.9	176.2	-164.7	0	0	0	0	108.7	L154 Y156 T217 S218 P219	L154-S245 PolarHBondContact O-N 3.49Å; Y156-S245 WeakPolarHBondContact CA-O 3.34Å; Y156-S245 PolarHBondContact N-O 3.44Å; T217-S245 WeakPolarHBondContact O-CB 3.47Å; T217-S245 PolarHBondContact O-OG 2.7Å; S218-S245 PolarHBondContact O-OG 3.47Å; P219-S245 WeakPolarHBondContact CA-OG 3.44Å
246	G	89.6	Confident	93.2	Very high	5 Å²	5	38 Å²	38	5%	0.052	21%	0.214	C	C	.	.			trans	-170.2	152.2	174.6	0	0	0	0	0	112.9	P209	P209-G246 WeakPolarHBondContact CB-O 3.43Å
247	N	90.1	Very high	93.5	Very high	40 Å²	40	36.5 Å²	36.5	21%	0.214	21%	0.206	C	C	.	.			trans	-119.9	-177.7	175.5	58	-33.7	0	0	0	109.7	V191 E192 I199 D249 E252	V191-N247 HydrophobicContact CG1-CB 4.27Å; E192-N247 HydrophobicContact CB-CB 4.21Å; I199-N247 HydrophobicContact CG2-CB 4.37Å; N247-D249 PolarHBondContact ND2-O 2.97Å; N247-E252 VanDerWaalsContact CG-OE1 3.31Å; N247-E252 PolarHBondContact ND2-OE1 3.25Å; N247-E252 PolarHBondContact ND2-OE2 3.24Å; N247-E252 PolarHBondContact OD1-OE1 2.92Å
248	L	91.6	Very high	93.8	Very high	111 Å²	111	32.8 Å²	32.8	58%	0.581	18%	0.183	S	C	*	.	S	Bend	trans	-107.7	-42.5	-175.9	-172.4	66.4	0	0	0	112.6	Y198	Y198-L248 WeakPolarHBondContact O-CB 2.95Å; Y198-L248 PolarHBondContact O-N 2.9Å
249	D	91.3	Very high	94	Very high	49 Å²	49	30.5 Å²	30.5	26%	0.262	17%	0.171	S	C	.	.	S	Bend	trans	-89	-175.7	172.6	56	-14.6	0	0	0	111.8	Y198 N247 H286	Y198-D249 VanDerWaalsContact CA-OD1 3.3Å; Y198-D249 WeakPolarHBondContact CA-OD1 3.15Å; Y198-D249 WeakPolarHBondContact CD1-OD2 3.49Å; N247-D249 PolarHBondContact ND2-O 2.97Å; D249-H286 IonicContact OD2-CE1 3.64Å; D249-H286 IonicContact OD2-NE2 3.13Å; D249-H286 PolarHBondContact OD2-NE2 3.17Å; D249-H286 VanDerWaalsContact OD2-NE2 3.09Å
250	S	91.5	Very high	94.4	Very high	77 Å²	77	30.5 Å²	30.5	54%	0.538	17%	0.171	S	C	.	.	S	Bend	trans	-100.7	-38.7	-172.3	174.1	0	0	0	0	114.6
251	P	94.6	Very high	94.8	Very high	42 Å²	42	29 Å²	29	27%	0.273	16%	0.155	S	C	.	.	S	Bend	trans	-72.4	150.4	173.2	-9.4	25.9	0	0	0	110.7	H286	P251-H286 PolarHBondContact O-CD2 3.05Å
252	E	95.4	Very high	95	Very high	5 Å²	5	23 Å²	23	2%	0.023	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-114.2	166.1	-174.4	-55.5	-66	165.6	0	0	112.7	S155 F190 E192 N247 G254 A283 G284 F285 H286	S155-E252 WeakPolarHBondContact CB-OE1 3.36Å; F190-E252 HydrophobicContact CD2-CB 4.49Å; F190-E252 HydrophobicContact CE2-CB 3.99Å; E192-E252 WeakPolarHBondContact OE2-CA 3.39Å; N247-E252 VanDerWaalsContact CG-OE1 3.31Å; N247-E252 PolarHBondContact ND2-OE1 3.25Å; N247-E252 PolarHBondContact ND2-OE2 3.24Å; N247-E252 PolarHBondContact OD1-OE1 2.92Å; E252-G254 PolarHBondContact O-N 3.39Å; E252-G254 VanDerWaalsContact O-N 3.08Å; E252-A283 HydrophobicContact CG-CB 3.96Å; E252-G284 PolarHBondContact N-O 2.88Å; E252-F285 WeakPolarHBondContact O-CA 3.48Å; E252-H286 PolarHBondContact O-N 2.75Å
253	G	96.4	Very high	95.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.			trans	-83.5	23.6	-174.8	0	0	0	0	0	113.9	V191 E192 F255 D256	V191-G253 PolarHBondContact O-N 3.29Å; E192-G253 VanDerWaalsContact OE1-CA 3.24Å; E192-G253 WeakPolarHBondContact OE1-CA 3.5Å; E192-G253 WeakPolarHBondContact OE2-CA 3.08Å; E192-G253 PolarHBondContact OE2-N 2.91Å; G253-F255 PolarHBondContact O-N 3.15Å; G253-F255 VanDerWaalsContact O-N 3.12Å; G253-D256 WeakPolarHBondContact O-CB 3.46Å; G253-D256 PolarHBondContact O-N 3.3Å; G253-D256 VanDerWaalsContact O-N 3.1Å
254	G	97.2	Very high	95.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-27.7	-171	0	0	0	0	0	114.5	F190 E252 A257 I258	F190-G254 VanDerWaalsContact CD2-CA 3.42Å; E252-G254 PolarHBondContact O-N 3.39Å; E252-G254 VanDerWaalsContact O-N 3.08Å; G254-A257 WeakPolarHBondContact O-CB 3.5Å; G254-A257 PolarHBondContact O-N 2.98Å; G254-I258 WeakPolarHBondContact O-CG1 3.21Å; G254-I258 PolarHBondContact O-N 3.1Å
255	F	97.8	Very high	95.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.2	-34.4	177.7	-86.4	18.8	0	0	0	113.4	G253 A257 I258 M259 F285 H286 F287 P320 I322 L325 L351	G253-F255 PolarHBondContact O-N 3.15Å; G253-F255 VanDerWaalsContact O-N 3.12Å; F255-A257 VanDerWaalsContact C-N 3.28Å; F255-A257 PolarHBondContact O-N 3.32Å; F255-I258 HydrophobicContact CD1-CD1 4.12Å; F255-I258 HydrophobicContact CE1-CD1 4.44Å; F255-I258 PolarHBondContact O-N 3.34Å; F255-M259 WeakPolarHBondContact O-CB 3.02Å; F255-M259 PolarHBondContact O-N 2.78Å; F255-F285 HydrophobicContact CD1-CB 4.11Å; F255-F285 HydrophobicContact CD1-CD2 4.21Å; F255-F285 HydrophobicContact CD1-CG 4.17Å; F255-F285 HydrophobicContact CD2-CD2 4Å; F255-F285 HydrophobicContact CE1-CB 4.1Å; F255-F285 HydrophobicContact CE1-CD1 4.11Å; F255-F285 AromaticContact CE1-CD2 3.66Å; F255-F285 HydrophobicContact CE1-CD2 3.66Å; F255-F285 HydrophobicContact CE1-CE1 4.48Å; F255-F285 HydrophobicContact CE1-CE2 4.09Å; F255-F285 AromaticContact CE1-CG 3.67Å; F255-F285 HydrophobicContact CE1-CG 3.67Å; F255-F285 HydrophobicContact CE1-CZ 4.47Å; F255-F285 AromaticContact CE2-CD2 3.41Å; F255-F285 HydrophobicContact CE2-CD2 3.41Å; F255-F285 VanDerWaalsContact CE2-CD2 3.41Å; F255-F285 AromaticContact CE2-CE2 3.55Å; F255-F285 HydrophobicContact CE2-CE2 3.55Å; F255-F285 HydrophobicContact CE2-CG 4.27Å; F255-F285 HydrophobicContact CE2-CZ 4.48Å; F255-F285 HydrophobicContact CG-CD2 4.38Å; F255-F285 HydrophobicContact CZ-CD1 4.23Å; F255-F285 AromaticContact CZ-CD2 3.23Å; F255-F285 HydrophobicContact CZ-CD2 3.23Å; F255-F285 HydrophobicContact CZ-CE1 4.26Å; F255-F285 AromaticContact CZ-CE2 3.28Å; F255-F285 HydrophobicContact CZ-CE2 3.28Å; F255-F285 AromaticContact CZ-CG 3.74Å; F255-F285 HydrophobicContact CZ-CG 3.74Å; F255-F285 AromaticContact CZ-CZ 3.82Å; F255-F285 HydrophobicContact CZ-CZ 3.82Å; F255-H286 WeakPolarHBondContact CD2-O 3.49Å; F255-F287 HydrophobicContact CD2-CB 4.05Å; F255-F287 HydrophobicContact CE2-CB 4.13Å; F255-P320 HydrophobicContact CB-CG 3.86Å; F255-P320 VanDerWaalsContact O-CG 3.31Å; F255-P320 WeakPolarHBondContact O-CG 3.38Å; F255-I322 HydrophobicContact CE2-CG1 3.83Å; F255-I322 HydrophobicContact CZ-CG1 4.34Å; F255-L325 HydrophobicContact CB-CD1 4Å; F255-L325 HydrophobicContact CD1-CD1 3.8Å; F255-L325 HydrophobicContact CD2-CD1 3.45Å; F255-L325 VanDerWaalsContact CD2-CD1 3.45Å; F255-L325 HydrophobicContact CE1-CD1 4.07Å; F255-L325 HydrophobicContact CE2-CD1 3.75Å; F255-L325 HydrophobicContact CG-CD1 3.47Å; F255-L325 VanDerWaalsContact CG-CD1 3.47Å; F255-L325 HydrophobicContact CZ-CD1 4.04Å; F255-L351 HydrophobicContact CE1-CD2 3.88Å; F255-L351 HydrophobicContact CZ-CD1 4.14Å; F255-L351 HydrophobicContact CZ-CD2 3.73Å
256	D	98.1	Very high	95.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-42.5	171	-86	-12.4	0	0	0	110.5	K193 G253 M259 Q260 Y311 P320	K193-D256 IonicContact NZ-OD1 2.67Å; K193-D256 IonicContact NZ-OD2 2.74Å; K193-D256 PolarHBondContact NZ-OD2 2.04Å; G253-D256 WeakPolarHBondContact O-CB 3.46Å; G253-D256 PolarHBondContact O-N 3.3Å; G253-D256 VanDerWaalsContact O-N 3.1Å; D256-M259 PolarHBondContact O-N 3.06Å; D256-Q260 WeakPolarHBondContact O-CG 3.48Å; D256-Q260 PolarHBondContact O-N 3.01Å; D256-Y311 HydrophobicContact CB-CD1 4.31Å; D256-Y311 HydrophobicContact CB-CE1 3.98Å; D256-P320 WeakPolarHBondContact OD1-CD 3.43Å
257	A	98.4	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-46.3	179.6	0	0	0	0	0	112.2	L151 F190 Y222 G254 F255 M259 Q260 V261	L151-A257 HydrophobicContact CD1-CB 3.96Å; L151-A257 HydrophobicContact CD2-CB 3.72Å; L151-A257 HydrophobicContact CG-CB 4.34Å; F190-A257 HydrophobicContact CB-CB 3.65Å; F190-A257 HydrophobicContact CD1-CB 4.21Å; F190-A257 HydrophobicContact CG-CB 4.04Å; Y222-A257 HydrophobicContact CD2-CB 3.45Å; Y222-A257 VanDerWaalsContact CD2-CB 3.45Å; Y222-A257 HydrophobicContact CE2-CB 4.19Å; Y222-A257 HydrophobicContact CG-CB 3.79Å; G254-A257 WeakPolarHBondContact O-CB 3.5Å; G254-A257 PolarHBondContact O-N 2.98Å; F255-A257 VanDerWaalsContact C-N 3.28Å; F255-A257 PolarHBondContact O-N 3.32Å; A257-M259 VanDerWaalsContact C-N 3.29Å; A257-M259 PolarHBondContact O-N 2.83Å; A257-Q260 PolarHBondContact O-N 3.08Å; A257-V261 WeakPolarHBondContact O-CB 3.36Å; A257-V261 VanDerWaalsContact O-CG2 3.28Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 3.2Å
258	I	98.3	Very high	96.4	Very high	2 Å²	2	28 Å²	28	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-57.5	-44.7	174.5	-65.5	172.7	0	0	0	110.4	L151 G254 F255 V261 A262 L277 F279 L325 L329 F338	L151-I258 HydrophobicContact CD2-CG1 3.95Å; G254-I258 WeakPolarHBondContact O-CG1 3.21Å; G254-I258 PolarHBondContact O-N 3.1Å; F255-I258 HydrophobicContact CD1-CD1 4.12Å; F255-I258 HydrophobicContact CE1-CD1 4.44Å; F255-I258 PolarHBondContact O-N 3.34Å; I258-V261 PolarHBondContact O-N 3.28Å; I258-A262 WeakPolarHBondContact O-CB 3.31Å; I258-A262 PolarHBondContact O-N 3.21Å; I258-L277 HydrophobicContact CB-CD2 4.4Å; I258-L277 HydrophobicContact CG1-CD2 4.24Å; I258-L277 HydrophobicContact CG2-CD2 3.9Å; I258-F279 HydrophobicContact CD1-CD2 3.67Å; I258-F279 HydrophobicContact CD1-CE2 3.91Å; I258-F279 HydrophobicContact CD1-CG 4.12Å; I258-F279 HydrophobicContact CG1-CD2 3.74Å; I258-F279 HydrophobicContact CG1-CE2 4.05Å; I258-L325 HydrophobicContact CB-CD2 4.16Å; I258-L325 HydrophobicContact CG2-CD2 3.83Å; I258-L329 HydrophobicContact CG2-CD1 4.17Å; I258-L329 HydrophobicContact CG2-CD2 4.03Å; I258-L329 HydrophobicContact CG2-CG 4.4Å; I258-F338 HydrophobicContact CD1-CE1 4.26Å
259	M	98.3	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-50.3	178.6	179.4	59.4	77.8	0	0	111.3	F255 D256 A257 V261 A262 V263 P320 H324 L325 K328	F255-M259 WeakPolarHBondContact O-CB 3.02Å; F255-M259 PolarHBondContact O-N 2.78Å; D256-M259 PolarHBondContact O-N 3.06Å; A257-M259 VanDerWaalsContact C-N 3.29Å; A257-M259 PolarHBondContact O-N 2.83Å; M259-V261 PolarHBondContact O-N 3.31Å; M259-A262 PolarHBondContact O-N 3.34Å; M259-A262 VanDerWaalsContact O-N 3.13Å; M259-V263 VanDerWaalsContact O-CG2 3.29Å; M259-V263 WeakPolarHBondContact O-CG2 3.33Å; M259-V263 PolarHBondContact O-N 2.98Å; M259-V263 HydrophobicContact SD-CG1 3.86Å; M259-P320 HydrophobicContact CB-CB 4.44Å; M259-P320 HydrophobicContact CB-CG 4.03Å; M259-P320 HydrophobicContact CE-CB 3.53Å; M259-P320 HydrophobicContact CE-CG 4.31Å; M259-H324 HydrophobicContact CE-CB 4.27Å; M259-L325 HydrophobicContact CB-CD2 3.92Å; M259-L325 HydrophobicContact CE-CD2 3.97Å; M259-L325 HydrophobicContact CE-CG 4.47Å; M259-K328 HydrophobicContact CE-CB 4.39Å; M259-K328 HydrophobicContact CE-CG 3.98Å; M259-K328 HydrophobicContact SD-CB 3.99Å; M259-K328 HydrophobicContact SD-CG 3.72Å
260	Q	98.4	Very high	96.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.5	-41.2	179.1	-69.2	-56.9	-62.1	0	0	111.9	Y222 D256 A257 A262 V263 C264 K303 Y311	Y222-Q260 HydrophobicContact CD1-CB 3.62Å; Y222-Q260 HydrophobicContact CD1-CG 4.14Å; Y222-Q260 HydrophobicContact CE1-CB 3.7Å; D256-Q260 WeakPolarHBondContact O-CG 3.48Å; D256-Q260 PolarHBondContact O-N 3.01Å; A257-Q260 PolarHBondContact O-N 3.08Å; Q260-A262 VanDerWaalsContact C-N 3.26Å; Q260-A262 PolarHBondContact O-N 3.18Å; Q260-V263 PolarHBondContact O-N 2.92Å; Q260-C264 WeakPolarHBondContact O-CB 2.81Å; Q260-C264 PolarHBondContact O-N 2.91Å; Q260-C264 PolarHBondContact O-SG 2.71Å; Q260-C264 PolarHBondContact OE1-SG 3.02Å; Q260-C264 VanDerWaalsContact OE1-SG 3.41Å; Q260-K303 PolarHBondContact NE2-O 3.21Å; Q260-Y311 HydrophobicContact CG-CD1 4.35Å; Q260-Y311 HydrophobicContact CG-CD2 3.88Å; Q260-Y311 HydrophobicContact CG-CE2 4.24Å; Q260-Y311 HydrophobicContact CG-CG 3.96Å
261	V	98.3	Very high	96.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-36.7	174.4	171.9	0	0	0	0	112	Y149 L151 Y222 A257 I258 M259 I268 W270 L277	Y149-V261 HydrophobicContact CD1-CG1 3.85Å; Y149-V261 HydrophobicContact CD1-CG2 3.9Å; Y149-V261 HydrophobicContact CE1-CG1 4.25Å; Y149-V261 HydrophobicContact CE1-CG2 3.5Å; Y149-V261 HydrophobicContact CG-CG1 4.34Å; L151-V261 HydrophobicContact CD2-CG2 4.31Å; Y222-V261 HydrophobicContact CE1-CG2 4.41Å; Y222-V261 HydrophobicContact CE2-CG2 4.11Å; Y222-V261 VanDerWaalsContact OH-CG2 3.23Å; Y222-V261 WeakPolarHBondContact OH-CG2 3.49Å; A257-V261 WeakPolarHBondContact O-CB 3.36Å; A257-V261 VanDerWaalsContact O-CG2 3.28Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 3.2Å; I258-V261 PolarHBondContact O-N 3.28Å; M259-V261 PolarHBondContact O-N 3.31Å; V261-I268 HydrophobicContact CG2-CD1 4.27Å; V261-W270 HydrophobicContact CG1-CZ2 3.88Å; V261-W270 PolarHBondContact O-NE1 3.08Å; V261-W270 VanDerWaalsContact O-NE1 3.07Å; V261-L277 HydrophobicContact CG1-CD1 3.92Å; V261-L277 HydrophobicContact CG1-CD2 4.21Å
262	A	97.3	Very high	96.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-72	-40	-179.3	0	0	0	0	0	113.2	I258 M259 Q260 K328 L329 N332 I334	I258-A262 WeakPolarHBondContact O-CB 3.31Å; I258-A262 PolarHBondContact O-N 3.21Å; M259-A262 PolarHBondContact O-N 3.34Å; M259-A262 VanDerWaalsContact O-N 3.13Å; Q260-A262 VanDerWaalsContact C-N 3.26Å; Q260-A262 PolarHBondContact O-N 3.18Å; A262-K328 HydrophobicContact CB-CB 4.45Å; A262-L329 HydrophobicContact CB-CD2 4.13Å; A262-N332 PolarHBondContact O-ND2 3.4Å; A262-I334 HydrophobicContact CB-CD1 4Å
263	V	97.8	Very high	96.3	Very high	29 Å²	29	24.7 Å²	24.7	18%	0.176	13%	0.132	C	C	.	.	H	α-helix	trans	-97.3	-21.5	-171.8	-55.8	0	0	0	0	114.1	M259 Q260 G265 G302 K303 C304 K328	M259-V263 VanDerWaalsContact O-CG2 3.29Å; M259-V263 WeakPolarHBondContact O-CG2 3.33Å; M259-V263 PolarHBondContact O-N 2.98Å; M259-V263 HydrophobicContact SD-CG1 3.86Å; Q260-V263 PolarHBondContact O-N 2.92Å; V263-G265 VanDerWaalsContact C-N 3.26Å; V263-G265 PolarHBondContact O-N 3.05Å; V263-G265 VanDerWaalsContact O-N 3.17Å; V263-G302 WeakPolarHBondContact CG1-O 3.47Å; V263-K303 WeakPolarHBondContact CG2-O 3.23Å; V263-C304 HydrophobicContact CG2-CB 4.14Å; V263-K328 HydrophobicContact CG1-CB 4.23Å; V263-K328 HydrophobicContact CG1-CD 4.06Å; V263-K328 HydrophobicContact CG1-CG 4.14Å
264	C	97.9	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.			trans	-88.5	51.2	178.2	-63.8	0	0	0	0	112.5	Q260 E266 Q267 I268 C304 L306	Q260-C264 WeakPolarHBondContact O-CB 2.81Å; Q260-C264 PolarHBondContact O-N 2.91Å; Q260-C264 PolarHBondContact O-SG 2.71Å; Q260-C264 PolarHBondContact OE1-SG 3.02Å; Q260-C264 VanDerWaalsContact OE1-SG 3.41Å; C264-E266 PolarHBondContact O-N 3.02Å; C264-E266 VanDerWaalsContact O-N 3.16Å; C264-Q267 HydrophobicContact CB-CB 4.33Å; C264-Q267 PolarHBondContact O-N 3.33Å; C264-Q267 PolarHBondContact O-OE1 3.2Å; C264-I268 HydrophobicContact CB-CG1 4.41Å; C264-I268 VanDerWaalsContact O-CG1 3.31Å; C264-I268 WeakPolarHBondContact O-CG1 3.28Å; C264-I268 PolarHBondContact O-N 3.19Å; C264-C304 WeakPolarHBondContact CA-SG 3.47Å; C264-C304 HydrophobicContact CB-CB 3.97Å; C264-C304 WeakPolarHBondContact CB-SG 3.47Å; C264-C304 WeakPolarHBondContact SG-CA 3.3Å; C264-C304 WeakPolarHBondContact SG-CB 3.46Å; C264-C304 CovalentContact SG-SG 2.03Å; C264-C304 PolarHBondContact SG-SG 2.83Å; C264-L306 HydrophobicContact CB-CD1 3.77Å; C264-L306 HydrophobicContact CB-CG 4.4Å; C264-L306 VanDerWaalsContact SG-CG 3.57Å
265	G	95.3	Very high	95.8	Very high	24 Å²	24	26.4 Å²	26.4	25%	0.247	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-33.2	-170.6	0	0	0	0	0	114.9	V263 G269 W270	V263-G265 VanDerWaalsContact C-N 3.26Å; V263-G265 PolarHBondContact O-N 3.05Å; V263-G265 VanDerWaalsContact O-N 3.17Å; G265-G269 WeakPolarHBondContact O-CA 3.34Å; G265-G269 PolarHBondContact O-N 3.39Å; G265-W270 PolarHBondContact O-N 3.13Å; G265-W270 VanDerWaalsContact O-N 3.1Å
266	E	95	Very high	95.7	Very high	179 Å²	179	26.4 Å²	26.4	84%	0.836	14%	0.139	S	C	*	.	H	α-helix	trans	-71.7	-43.7	178.2	-64.5	-174.3	169.6	0	0	112.5	C264 G269	C264-E266 PolarHBondContact O-N 3.02Å; C264-E266 VanDerWaalsContact O-N 3.16Å; E266-G269 PolarHBondContact O-N 3.4Å
267	Q	96.6	Very high	95.6	Very high	67 Å²	67	26.3 Å²	26.3	31%	0.313	14%	0.139	S	C	.	.	H	α-helix	trans	-71.2	-36.1	-179.4	-63.1	81.2	-4.5	0	0	112	N224 C264 L306	N224-Q267 PolarHBondContact ND2-O 3.09Å; N224-Q267 VanDerWaalsContact ND2-O 3.09Å; C264-Q267 HydrophobicContact CB-CB 4.33Å; C264-Q267 PolarHBondContact O-N 3.33Å; C264-Q267 PolarHBondContact O-OE1 3.2Å; Q267-L306 HydrophobicContact CB-CD1 4.13Å
268	I	98.1	Very high	95.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-74.5	-36.1	174.4	-57.7	-59.3	0	0	0	110.6	Y149 Y222 N224 L228 V261 C264 W270	Y149-I268 HydrophobicContact CD2-CG2 3.54Å; Y149-I268 HydrophobicContact CE1-CD1 4.36Å; Y149-I268 HydrophobicContact CE2-CD1 3.86Å; Y149-I268 HydrophobicContact CE2-CG2 3.79Å; Y149-I268 HydrophobicContact CG-CG2 4.12Å; Y222-I268 WeakPolarHBondContact OH-CD1 3.14Å; N224-I268 HydrophobicContact CB-CD1 4.27Å; L228-I268 WeakPolarHBondContact CB-O 3.41Å; L228-I268 HydrophobicContact CD1-CG2 4.02Å; L228-I268 HydrophobicContact CG-CG2 4.36Å; L228-I268 WeakPolarHBondContact CG-O 3Å; L228-I268 PolarHBondContact N-O 2.88Å; V261-I268 HydrophobicContact CG2-CD1 4.27Å; C264-I268 HydrophobicContact CB-CG1 4.41Å; C264-I268 VanDerWaalsContact O-CG1 3.31Å; C264-I268 WeakPolarHBondContact O-CG1 3.28Å; C264-I268 PolarHBondContact O-N 3.19Å; I268-W270 HydrophobicContact CG2-CD2 4.15Å; I268-W270 HydrophobicContact CG2-CG 4.3Å; I268-W270 HydrophobicContact CG2-CZ2 4.11Å
269	G	96.7	Very high	95.5	Very high	26 Å²	26	26.3 Å²	26.3	27%	0.268	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	31.3	177.9	0	0	0	0	0	114.4	L228 G265 E266 R271	L228-G269 WeakPolarHBondContact CD1-O 3.34Å; G265-G269 WeakPolarHBondContact O-CA 3.34Å; G265-G269 PolarHBondContact O-N 3.39Å; E266-G269 PolarHBondContact O-N 3.4Å; G269-R271 PolarHBondContact O-N 2.88Å
270	W	95.8	Very high	95.3	Very high	23 Å²	23	26.3 Å²	26.3	9%	0.087	14%	0.139	C	C	.	.			trans	-62.1	125.5	-179.3	-71.8	124.6	0	0	0	111.7	D147 Y149 L228 V261 G265 I268 R275 L276 I334	D147-W270 HydrophobicContact CB-CE3 3.63Å; D147-W270 HydrophobicContact CB-CZ3 3.55Å; Y149-W270 VanDerWaalsContact CB-CH2 3.46Å; Y149-W270 HydrophobicContact CG-CZ2 4.41Å; L228-W270 HydrophobicContact CD1-CD2 3.79Å; L228-W270 HydrophobicContact CD1-CE3 3.43Å; L228-W270 VanDerWaalsContact CD1-CE3 3.43Å; L228-W270 HydrophobicContact CD1-CG 4.33Å; L228-W270 HydrophobicContact CD1-CZ3 3.85Å; V261-W270 HydrophobicContact CG1-CZ2 3.88Å; V261-W270 PolarHBondContact O-NE1 3.08Å; V261-W270 VanDerWaalsContact O-NE1 3.07Å; G265-W270 PolarHBondContact O-N 3.13Å; G265-W270 VanDerWaalsContact O-N 3.1Å; I268-W270 HydrophobicContact CG2-CD2 4.15Å; I268-W270 HydrophobicContact CG2-CG 4.3Å; I268-W270 HydrophobicContact CG2-CZ2 4.11Å; W270-R275 HydrophobicContact CD2-CB 4.34Å; W270-R275 HydrophobicContact CD2-CG 4.14Å; W270-R275 HydrophobicContact CE3-CB 3.69Å; W270-R275 HydrophobicContact CE3-CG 3.56Å; W270-R275 HydrophobicContact CH2-CB 4.23Å; W270-R275 HydrophobicContact CZ3-CB 3.62Å; W270-R275 HydrophobicContact CZ3-CG 4.03Å; W270-L276 WeakPolarHBondContact CH2-O 3.4Å; W270-I334 HydrophobicContact CZ2-CD1 4.29Å
271	R	92.6	Very high	95.2	Very high	50 Å²	50	26.3 Å²	26.3	19%	0.189	14%	0.139	C	C	.	.			trans	-84.3	168.8	170.3	-58.3	-179.5	-71.5	177	-1.2	110.8	I146 D147 D182 G269 V273 R275	I146-R271 PolarHBondContact O-NH2 3.43Å; D147-R271 IonicContact OD1-CZ 2.62Å; D147-R271 IonicContact OD1-NE 3.79Å; D147-R271 PolarHBondContact OD1-NE 3.48Å; D147-R271 IonicContact OD1-NH2 3.69Å; D147-R271 PolarHBondContact OD1-NH2 3Å; D147-R271 VanDerWaalsContact OD2-CB 3.25Å; D147-R271 WeakPolarHBondContact OD2-CB 3.36Å; D147-R271 WeakPolarHBondContact OD2-CG 3.27Å; D147-R271 PolarHBondContact OD2-N 3.02Å; D147-R271 IonicContact OD2-NE 2.71Å; D147-R271 PolarHBondContact OD2-NE 3.06Å; D182-R271 IonicContact OD1-CZ 2.66Å; D182-R271 IonicContact OD1-NH1 2.7Å; D182-R271 PolarHBondContact OD1-NH1 2.75Å; D182-R271 IonicContact OD1-NH2 3.62Å; D182-R271 PolarHBondContact OD1-NH2 2.79Å; D182-R271 IonicContact OD2-CZ 2.82Å; D182-R271 IonicContact OD2-NH1 3.88Å; D182-R271 PolarHBondContact OD2-NH1 3.12Å; G269-R271 PolarHBondContact O-N 2.88Å; R271-V273 HydrophobicContact CB-CG1 4.07Å; R271-V273 HydrophobicContact CB-CG2 3.87Å; R271-V273 PolarHBondContact O-N 3.27Å; R271-R275 VanDerWaalsContact O-CZ 3.32Å; R271-R275 PolarHBondContact O-NE 3.27Å; R271-R275 PolarHBondContact O-NH2 3.21Å
272	N	88.4	Confident	94.9	Very high	108 Å²	108	27.8 Å²	27.8	58%	0.578	15%	0.146	S	C	*	.	S	Bend	trans	-81.2	50.5	175.6	-161.6	32.9	0	0	0	112.1	T455	N272-T455 PolarHBondContact O-OG1 3.43Å; N272-T455 VanDerWaalsContact OD1-CB 3.26Å; N272-T455 WeakPolarHBondContact OD1-CB 3.31Å; N272-T455 WeakPolarHBondContact OD1-CG2 3.27Å
273	V	88.9	Confident	94.8	Very high	8 Å²	8	28 Å²	28	5%	0.048	15%	0.148	C	C	.	.	S	Bend	trans	-129.7	-166.4	-173.6	-53.7	0	0	0	0	109.9	P111 Y144 P145 D147 R271 R275	P111-V273 HydrophobicContact CB-CG1 4.34Å; Y144-V273 HydrophobicContact CE1-CB 4.16Å; P145-V273 HydrophobicContact CB-CB 3.96Å; P145-V273 HydrophobicContact CB-CG1 3.83Å; P145-V273 HydrophobicContact CB-CG2 4.19Å; P145-V273 HydrophobicContact CG-CG1 4.08Å; P145-V273 WeakPolarHBondContact O-CB 3.27Å; D147-V273 HydrophobicContact CB-CG2 4.41Å; R271-V273 HydrophobicContact CB-CG1 4.07Å; R271-V273 HydrophobicContact CB-CG2 3.87Å; R271-V273 PolarHBondContact O-N 3.27Å; V273-R275 PolarHBondContact O-N 3.25Å
274	T	90.1	Very high	94.7	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	123	174.7	-62.2	0	0	0	0	110.2	Y144 P145 D147 L276 Y378	Y144-T274 WeakPolarHBondContact CD1-OG1 3.33Å; P145-T274 PolarHBondContact O-N 3.46Å; D147-T274 PolarHBondContact N-O 3.17Å; T274-L276 HydrophobicContact CG2-CD2 4.14Å; T274-L276 HydrophobicContact CG2-CG 4.28Å; T274-Y378 HydrophobicContact CG2-CE2 4.49Å
275	R	93.6	Very high	94.6	Very high	30 Å²	30	28.7 Å²	28.7	11%	0.113	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.5	-178.5	-56.8	173.9	-176.9	-178.6	-6.8	110	W270 R271 V273 N332 I334 Q335	W270-R275 HydrophobicContact CD2-CB 4.34Å; W270-R275 HydrophobicContact CD2-CG 4.14Å; W270-R275 HydrophobicContact CE3-CB 3.69Å; W270-R275 HydrophobicContact CE3-CG 3.56Å; W270-R275 HydrophobicContact CH2-CB 4.23Å; W270-R275 HydrophobicContact CZ3-CB 3.62Å; W270-R275 HydrophobicContact CZ3-CG 4.03Å; R271-R275 VanDerWaalsContact O-CZ 3.32Å; R271-R275 PolarHBondContact O-NE 3.27Å; R271-R275 PolarHBondContact O-NH2 3.21Å; V273-R275 PolarHBondContact O-N 3.25Å; R275-N332 WeakPolarHBondContact CD-O 3.17Å; R275-N332 PolarHBondContact NH1-O 3.36Å; R275-I334 HydrophobicContact CB-CG1 4.02Å; R275-Q335 PolarHBondContact O-N 3.44Å
276	L	95.1	Very high	94.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.3	177.7	-58.9	178.4	0	0	0	109.7	I146 D147 L148 Y149 W270 T274 Q335 Y378 L381	I146-L276 HydrophobicContact CG2-CD1 3.74Å; I146-L276 HydrophobicContact CG2-CG 4.17Å; D147-L276 PolarHBondContact O-N 3.48Å; L148-L276 CarbonylContact C-O 3.51Å; L148-L276 WeakPolarHBondContact CA-O 3.36Å; L148-L276 HydrophobicContact CB-CB 4.48Å; L148-L276 HydrophobicContact CD1-CD1 4.46Å; L148-L276 HydrophobicContact CG-CB 4.4Å; Y149-L276 PolarHBondContact N-O 3.46Å; W270-L276 WeakPolarHBondContact CH2-O 3.4Å; T274-L276 HydrophobicContact CG2-CD2 4.14Å; T274-L276 HydrophobicContact CG2-CG 4.28Å; L276-Q335 WeakPolarHBondContact CA-O 3.42Å; L276-Q335 HydrophobicContact CD2-CB 4.02Å; L276-Y378 HydrophobicContact CD1-CD2 3.83Å; L276-Y378 HydrophobicContact CD1-CG 4.49Å; L276-Y378 HydrophobicContact CD2-CD2 4.46Å; L276-L381 HydrophobicContact CD2-CD1 4.47Å
277	L	97.1	Very high	94.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	110.8	171.9	173.7	56.3	0	0	0	108.8	Y149 L151 I258 V261 L329 I334 Q335 T336 I337	Y149-L277 HydrophobicContact CD1-CD1 3.98Å; L151-L277 HydrophobicContact CB-CD1 3.8Å; L151-L277 HydrophobicContact CD2-CD1 4.3Å; I258-L277 HydrophobicContact CB-CD2 4.4Å; I258-L277 HydrophobicContact CG1-CD2 4.24Å; I258-L277 HydrophobicContact CG2-CD2 3.9Å; V261-L277 HydrophobicContact CG1-CD1 3.92Å; V261-L277 HydrophobicContact CG1-CD2 4.21Å; L277-L329 HydrophobicContact CD2-CD2 4.4Å; L277-I334 HydrophobicContact CB-CG2 3.59Å; L277-I334 HydrophobicContact CD2-CG2 4.34Å; L277-Q335 PolarHBondContact N-O 2.81Å; L277-T336 HydrophobicContact CD2-CG2 4.47Å; L277-T336 HydrophobicContact CG-CG2 4.41Å; L277-T336 CarbonylContact O-C 3.14Å; L277-T336 WeakPolarHBondContact O-CA 3.36Å; L277-I337 PolarHBondContact O-N 3.09Å
278	V	96.9	Very high	94.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	117	173.4	-177	0	0	0	0	107.7	L148 Y149 Y150 L151 I337 A339 I374	L148-V278 HydrophobicContact CD1-CG2 3.97Å; L148-V278 HydrophobicContact CD2-CG2 4.07Å; L148-V278 HydrophobicContact CG-CG2 4.01Å; Y149-V278 PolarHBondContact O-N 3.49Å; Y150-V278 HydrophobicContact CD2-CB 4.02Å; Y150-V278 HydrophobicContact CD2-CG1 3.93Å; Y150-V278 HydrophobicContact CE2-CB 4.4Å; Y150-V278 HydrophobicContact CE2-CG1 3.79Å; L151-V278 WeakPolarHBondContact CA-O 3.3Å; L151-V278 WeakPolarHBondContact CB-O 3.44Å; L151-V278 PolarHBondContact N-O 3.49Å; V278-I337 CarbonylContact C-O 3.55Å; V278-I337 WeakPolarHBondContact CA-O 3.37Å; V278-I337 HydrophobicContact CG2-CB 4.43Å; V278-I337 HydrophobicContact CG2-CD1 4.32Å; V278-A339 HydrophobicContact CG1-CB 4.28Å; V278-I374 HydrophobicContact CG1-CD1 4.35Å; V278-I374 HydrophobicContact CG1-CG1 4.32Å; V278-I374 HydrophobicContact CG2-CD1 3.98Å; V278-I374 HydrophobicContact CG2-CG1 3.9Å
279	F	97.3	Very high	94.9	Very high	2 Å²	2	25 Å²	25	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.9	176.7	-179.3	-95.6	0	0	0	108.9	L151 F190 I258 T281 T336 I337 F338 A339 Y348	L151-F279 HydrophobicContact CD2-CD2 3.89Å; L151-F279 HydrophobicContact CD2-CE2 4.37Å; L151-F279 HydrophobicContact CG-CD2 4.24Å; F190-F279 HydrophobicContact CD1-CE2 4.31Å; F190-F279 AromaticContact CE1-CD2 3.98Å; F190-F279 HydrophobicContact CE1-CD2 3.98Å; F190-F279 AromaticContact CE1-CE2 3.42Å; F190-F279 HydrophobicContact CE1-CE2 3.42Å; F190-F279 VanDerWaalsContact CE1-CE2 3.42Å; F190-F279 AromaticContact CE1-CZ 3.99Å; F190-F279 HydrophobicContact CE1-CZ 3.99Å; F190-F279 HydrophobicContact CE2-CE2 4.15Å; F190-F279 HydrophobicContact CE2-CZ 4.1Å; F190-F279 HydrophobicContact CZ-CD2 4.23Å; F190-F279 HydrophobicContact CZ-CE1 4.35Å; F190-F279 AromaticContact CZ-CE2 3.31Å; F190-F279 HydrophobicContact CZ-CE2 3.31Å; F190-F279 AromaticContact CZ-CZ 3.39Å; F190-F279 HydrophobicContact CZ-CZ 3.39Å; I258-F279 HydrophobicContact CD1-CD2 3.67Å; I258-F279 HydrophobicContact CD1-CE2 3.91Å; I258-F279 HydrophobicContact CD1-CG 4.12Å; I258-F279 HydrophobicContact CG1-CD2 3.74Å; I258-F279 HydrophobicContact CG1-CE2 4.05Å; F279-T281 HydrophobicContact CD1-CG2 4.06Å; F279-T281 HydrophobicContact CE1-CG2 3.37Å; F279-T281 HydrophobicContact CZ-CG2 4.06Å; F279-T336 HydrophobicContact CB-CG2 4.39Å; F279-I337 PolarHBondContact N-O 3.09Å; F279-F338 HydrophobicContact CB-CD1 4.02Å; F279-F338 HydrophobicContact CB-CE1 4.38Å; F279-F338 AromaticContact CD1-CD1 3.74Å; F279-F338 HydrophobicContact CD1-CD1 3.74Å; F279-F338 HydrophobicContact CD1-CE1 4.23Å; F279-F338 HydrophobicContact CG-CD1 4.16Å; F279-F338 HydrophobicContact CG-CE1 4.42Å; F279-A339 PolarHBondContact O-N 3.19Å; F279-Y348 HydrophobicContact CD1-CE1 4.15Å; F279-Y348 AromaticContact CE1-CE1 3.76Å; F279-Y348 HydrophobicContact CE1-CE1 3.76Å
280	S	95.3	Very high	94.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.2	-173.3	-170.5	0	0	0	0	110.9	Y150 L151 D153 A339	Y150-S280 PolarHBondContact OH-OG 3.35Å; L151-S280 PolarHBondContact O-N 3.02Å; D153-S280 VanDerWaalsContact CB-O 3.28Å; D153-S280 WeakPolarHBondContact CB-O 3.21Å; D153-S280 PolarHBondContact N-O 2.65Å; S280-A339 WeakPolarHBondContact CA-O 3.41Å
281	T	95.1	Very high	95	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	156.7	177	-179.4	0	0	0	0	110.6	D153 F279 A283 A339 V340 Y348	D153-T281 PolarHBondContact OD2-OG1 3.15Å; F279-T281 HydrophobicContact CD1-CG2 4.06Å; F279-T281 HydrophobicContact CE1-CG2 3.37Å; F279-T281 HydrophobicContact CZ-CG2 4.06Å; T281-A283 PolarHBondContact OG1-N 3.13Å; T281-A283 VanDerWaalsContact OG1-N 3.09Å; T281-A339 PolarHBondContact N-O 3.5Å; T281-V340 HydrophobicContact CG2-CG1 3.99Å; T281-V340 WeakPolarHBondContact O-CA 3.32Å; T281-Y348 HydrophobicContact CG2-CE2 4.42Å; T281-Y348 VanDerWaalsContact CG2-OH 3.24Å; T281-Y348 WeakPolarHBondContact CG2-OH 3.41Å
282	D	93.1	Very high	95.2	Very high	31 Å²	31	29.5 Å²	29.5	17%	0.166	16%	0.162	C	C	.	.	S	Bend	trans	-106.2	13.4	172	70	-23.4	0	0	0	112.7	S157 M158 T341 F344	S157-D282 WeakPolarHBondContact CB-OD2 3.44Å; S157-D282 VanDerWaalsContact OG-CG 3.27Å; S157-D282 PolarHBondContact OG-OD1 3.23Å; S157-D282 PolarHBondContact OG-OD2 2.73Å; M158-D282 HydrophobicContact SD-CB 3.67Å; M158-D282 PolarHBondContact SD-N 2.88Å; M158-D282 VanDerWaalsContact SD-N 3.44Å; M158-D282 VanDerWaalsContact SD-OD1 3.37Å; D282-T341 HydrophobicContact CB-CG2 3.53Å; D282-F344 WeakPolarHBondContact O-CD2 3.42Å; D282-F344 WeakPolarHBondContact O-CE2 3.38Å
283	A	94.8	Very high	95.5	Very high	6 Å²	6	30.7 Å²	30.7	5%	0.05	17%	0.168	C	C	.	.	S	Bend	trans	-133.5	176	-173.8	0	0	0	0	0	114.2	E252 T281 Y348	E252-A283 HydrophobicContact CG-CB 3.96Å; T281-A283 PolarHBondContact OG1-N 3.13Å; T281-A283 VanDerWaalsContact OG1-N 3.09Å; A283-Y348 WeakPolarHBondContact O-CE2 3.37Å; A283-Y348 PolarHBondContact O-OH 3.31Å
284	G	95.4	Very high	95.8	Very high	14 Å²	14	31.4 Å²	31.4	14%	0.144	18%	0.176	C	C	.	.			trans	-73.4	-177	170.9	0	0	0	0	0	112.6	E252 F344	E252-G284 PolarHBondContact N-O 2.88Å; G284-F344 VanDerWaalsContact N-CE1 3.3Å
285	F	96.7	Very high	96.1	Very high	28 Å²	28	34 Å²	34	12%	0.123	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-131.8	145.7	-179.9	52.5	-94.6	0	0	0	111.7	E252 F255 F287 V347 Y348 L351	E252-F285 WeakPolarHBondContact O-CA 3.48Å; F255-F285 HydrophobicContact CD1-CB 4.11Å; F255-F285 HydrophobicContact CD1-CD2 4.21Å; F255-F285 HydrophobicContact CD1-CG 4.17Å; F255-F285 HydrophobicContact CD2-CD2 4Å; F255-F285 HydrophobicContact CE1-CB 4.1Å; F255-F285 HydrophobicContact CE1-CD1 4.11Å; F255-F285 AromaticContact CE1-CD2 3.66Å; F255-F285 HydrophobicContact CE1-CD2 3.66Å; F255-F285 HydrophobicContact CE1-CE1 4.48Å; F255-F285 HydrophobicContact CE1-CE2 4.09Å; F255-F285 AromaticContact CE1-CG 3.67Å; F255-F285 HydrophobicContact CE1-CG 3.67Å; F255-F285 HydrophobicContact CE1-CZ 4.47Å; F255-F285 AromaticContact CE2-CD2 3.41Å; F255-F285 HydrophobicContact CE2-CD2 3.41Å; F255-F285 VanDerWaalsContact CE2-CD2 3.41Å; F255-F285 AromaticContact CE2-CE2 3.55Å; F255-F285 HydrophobicContact CE2-CE2 3.55Å; F255-F285 HydrophobicContact CE2-CG 4.27Å; F255-F285 HydrophobicContact CE2-CZ 4.48Å; F255-F285 HydrophobicContact CG-CD2 4.38Å; F255-F285 HydrophobicContact CZ-CD1 4.23Å; F255-F285 AromaticContact CZ-CD2 3.23Å; F255-F285 HydrophobicContact CZ-CD2 3.23Å; F255-F285 HydrophobicContact CZ-CE1 4.26Å; F255-F285 AromaticContact CZ-CE2 3.28Å; F255-F285 HydrophobicContact CZ-CE2 3.28Å; F255-F285 AromaticContact CZ-CG 3.74Å; F255-F285 HydrophobicContact CZ-CG 3.74Å; F255-F285 AromaticContact CZ-CZ 3.82Å; F255-F285 HydrophobicContact CZ-CZ 3.82Å; F285-F287 HydrophobicContact CD2-CD1 4.44Å; F285-F287 HydrophobicContact CE2-CD1 4.4Å; F285-V347 HydrophobicContact CE1-CG1 3.95Å; F285-V347 HydrophobicContact CZ-CG1 4.23Å; F285-Y348 HydrophobicContact CD1-CD1 4.49Å; F285-Y348 AromaticContact CD1-CE1 3.67Å; F285-Y348 HydrophobicContact CD1-CE1 3.67Å; F285-Y348 HydrophobicContact CD1-CE2 4.24Å; F285-Y348 AromaticContact CD1-CZ 3.54Å; F285-Y348 WeakPolarHBondContact CD1-OH 3.31Å; F285-Y348 HydrophobicContact CE1-CD1 4.27Å; F285-Y348 AromaticContact CE1-CE1 3.9Å; F285-Y348 HydrophobicContact CE1-CE1 3.9Å; F285-Y348 HydrophobicContact CE1-CE2 4.41Å; F285-Y348 AromaticContact CE1-CZ 4Å; F285-L351 HydrophobicContact CE1-CD2 4.18Å; F285-L351 HydrophobicContact CZ-CD2 4.23Å
286	H	97.8	Very high	96.3	Very high	13 Å²	13	32.9 Å²	32.9	6%	0.06	20%	0.201	C	C	.	.			trans	-80.2	148.8	165.8	-83.1	-62.6	0	0	0	112.3	E192 D249 P251 E252 F255 D290 Y319	E192-H286 IonicContact OE2-CD2 3.91Å; E192-H286 PolarHBondContact OE2-CD2 3.39Å; E192-H286 IonicContact OE2-CG 2.85Å; D249-H286 IonicContact OD2-CE1 3.64Å; D249-H286 IonicContact OD2-NE2 3.13Å; D249-H286 PolarHBondContact OD2-NE2 3.17Å; D249-H286 VanDerWaalsContact OD2-NE2 3.09Å; P251-H286 PolarHBondContact O-CD2 3.05Å; E252-H286 PolarHBondContact O-N 2.75Å; F255-H286 WeakPolarHBondContact CD2-O 3.49Å; H286-D290 WeakPolarHBondContact CA-OD2 3.19Å; H286-D290 HydrophobicContact CB-CB 4.39Å; H286-D290 IonicContact CE1-OD2 2.78Å; H286-D290 IonicContact CG-OD2 3.23Å; H286-D290 WeakPolarHBondContact ND1-CB 3.48Å; H286-D290 IonicContact ND1-OD2 3.41Å; H286-D290 PolarHBondContact ND1-OD2 2.75Å; H286-Y319 HydrophobicContact CB-CD1 3.82Å; H286-Y319 HydrophobicContact CB-CD2 3.81Å; H286-Y319 HydrophobicContact CB-CE1 3.57Å; H286-Y319 HydrophobicContact CB-CE2 3.56Å; H286-Y319 HydrophobicContact CB-CG 3.93Å; H286-Y319 VanDerWaalsContact CB-CZ 3.43Å; H286-Y319 AromaticContact CG-CE2 3.95Å; H286-Y319 AromaticContact CG-CZ 3.82Å
287	F	96.8	Very high	96.3	Very high	99 Å²	99	38 Å²	38	43%	0.434	23%	0.231	S	C	.	.			trans	-140.7	171.3	179.6	61.5	-88	0	0	0	112	F255 F285 G289 D290	F255-F287 HydrophobicContact CD2-CB 4.05Å; F255-F287 HydrophobicContact CE2-CB 4.13Å; F285-F287 HydrophobicContact CD2-CD1 4.44Å; F285-F287 HydrophobicContact CE2-CD1 4.4Å; F287-G289 PolarHBondContact O-N 3.32Å; F287-D290 PolarHBondContact N-OD2 3.22Å; F287-D290 WeakPolarHBondContact O-CB 3.28Å; F287-D290 PolarHBondContact O-N 2.93Å
288	A	97.8	Very high	96.4	Very high	37 Å²	37	41.1 Å²	41.1	31%	0.306	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	128.3	-176.4	0	0	0	0	0	112.9	Y319 P320	A288-Y319 WeakPolarHBondContact CA-O 3.25Å; A288-Y319 WeakPolarHBondContact CB-O 3.43Å; A288-P320 PolarHBondContact N-O 3.37Å
289	G	97.3	Very high	96.4	Very high	43 Å²	43	46 Å²	46	44%	0.443	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.5	-32.2	-174.1	0	0	0	0	0	112.9	F287 G291 K292 D318	F287-G289 PolarHBondContact O-N 3.32Å; G289-G291 VanDerWaalsContact C-N 3.33Å; G289-G291 PolarHBondContact O-N 3.33Å; G289-K292 WeakPolarHBondContact O-CB 3.38Å; G289-K292 PolarHBondContact O-N 2.69Å; G289-D318 WeakPolarHBondContact CA-OD2 3.34Å; G289-D318 PolarHBondContact N-OD2 3.43Å
290	D	97.6	Very high	96.4	Very high	41 Å²	41	46.5 Å²	46.5	22%	0.219	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-66.5	-36.8	-178.4	-68.3	-20.1	0	0	0	111.6	Y198 H286 F287 K292 L293 Y319	Y198-D290 PolarHBondContact OH-O 3.48Å; H286-D290 WeakPolarHBondContact CA-OD2 3.19Å; H286-D290 HydrophobicContact CB-CB 4.39Å; H286-D290 IonicContact CE1-OD2 2.78Å; H286-D290 IonicContact CG-OD2 3.23Å; H286-D290 WeakPolarHBondContact ND1-CB 3.48Å; H286-D290 IonicContact ND1-OD2 3.41Å; H286-D290 PolarHBondContact ND1-OD2 2.75Å; F287-D290 PolarHBondContact N-OD2 3.22Å; F287-D290 WeakPolarHBondContact O-CB 3.28Å; F287-D290 PolarHBondContact O-N 2.93Å; D290-K292 PolarHBondContact O-N 2.82Å; D290-L293 PolarHBondContact O-N 3.44Å; D290-Y319 HydrophobicContact CB-CD2 3.96Å; D290-Y319 HydrophobicContact CB-CE2 3.9Å
291	G	97.1	Very high	96.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-50.5	-26.1	177.8	0	0	0	0	0	114.2	Y198 G289 L293 G294 G295 I296 D318	Y198-G291 VanDerWaalsContact OH-C 3.28Å; Y198-G291 WeakPolarHBondContact OH-CA 3.32Å; Y198-G291 PolarHBondContact OH-O 3.35Å; G289-G291 VanDerWaalsContact C-N 3.33Å; G289-G291 PolarHBondContact O-N 3.33Å; G291-L293 PolarHBondContact O-N 2.86Å; G291-G294 CarbonylContact O-C 3.59Å; G291-G294 WeakPolarHBondContact O-CA 3.41Å; G291-G294 PolarHBondContact O-N 2.04Å; G291-G295 PolarHBondContact O-N 3.33Å; G291-I296 CarbonylContact C-O 3.55Å; G291-I296 WeakPolarHBondContact O-CB 3.12Å; G291-I296 PolarHBondContact O-N 2.86Å; G291-D318 WeakPolarHBondContact CA-OD1 3.47Å; G291-D318 PolarHBondContact N-OD1 3.09Å
292	K	97.2	Very high	96.6	Very high	154 Å²	154	48.7 Å²	48.7	67%	0.67	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-56	-33.1	178	-172.4	177.4	179.5	-179.1	0	112.9	G289 D290 G294 G295 I296	G289-K292 WeakPolarHBondContact O-CB 3.38Å; G289-K292 PolarHBondContact O-N 2.69Å; D290-K292 PolarHBondContact O-N 2.82Å; K292-G294 VanDerWaalsContact C-N 3.25Å; K292-G294 PolarHBondContact O-N 2.87Å; K292-G295 PolarHBondContact O-N 3.34Å; K292-G295 VanDerWaalsContact O-N 3.11Å; K292-I296 WeakPolarHBondContact CA-O 3.39Å; K292-I296 PolarHBondContact N-O 3.13Å
293	L	95.9	Very high	96.9	Very high	133 Å²	133	53.5 Å²	53.5	70%	0.696	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-64	-33.2	177.1	-67.7	178.2	0	0	0	112.2	P197 D290 G291 G295	P197-L293 HydrophobicContact CG-CB 3.98Å; D290-L293 PolarHBondContact O-N 3.44Å; G291-L293 PolarHBondContact O-N 2.86Å; L293-G295 VanDerWaalsContact C-N 3.33Å
294	G	94.6	Very high	97	Very high	22 Å²	22	55.2 Å²	55.2	23%	0.227	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-90.5	13.9	173.9	0	0	0	0	0	114.9	M196 Y198 G291 K292 I296	M196-G294 WeakPolarHBondContact O-CA 3.36Å; Y198-G294 PolarHBondContact OH-N 3.07Å; Y198-G294 VanDerWaalsContact OH-N 3.1Å; G291-G294 CarbonylContact O-C 3.59Å; G291-G294 WeakPolarHBondContact O-CA 3.41Å; G291-G294 PolarHBondContact O-N 2.04Å; K292-G294 VanDerWaalsContact C-N 3.25Å; K292-G294 PolarHBondContact O-N 2.87Å; G294-I296 VanDerWaalsContact C-N 3.27Å; G294-I296 PolarHBondContact O-N 3.38Å
295	G	96.6	Very high	97.1	Very high	61 Å²	61	56.2 Å²	56.2	63%	0.629	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	11.6	-179.5	0	0	0	0	0	114.5	G291 K292 L293	G291-G295 PolarHBondContact O-N 3.33Å; K292-G295 PolarHBondContact O-N 3.34Å; K292-G295 VanDerWaalsContact O-N 3.11Å; L293-G295 VanDerWaalsContact C-N 3.33Å
296	I	97.5	Very high	97.2	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.036	33%	0.326	C	S	.	.			trans	-94.3	111.2	-178.7	-52.7	174.9	0	0	0	108.5	K193 V195 G291 K292 G294 Y316 Y317 D318	K193-I296 HydrophobicContact CD-CD1 3.69Å; V195-I296 HydrophobicContact CG2-CD1 3.93Å; G291-I296 CarbonylContact C-O 3.55Å; G291-I296 WeakPolarHBondContact O-CB 3.12Å; G291-I296 PolarHBondContact O-N 2.86Å; K292-I296 WeakPolarHBondContact CA-O 3.39Å; K292-I296 PolarHBondContact N-O 3.13Å; G294-I296 VanDerWaalsContact C-N 3.27Å; G294-I296 PolarHBondContact O-N 3.38Å; I296-Y316 WeakPolarHBondContact CG2-O 3.42Å; I296-Y317 WeakPolarHBondContact CG2-O 3.34Å; I296-D318 HydrophobicContact CG2-CB 4.26Å; I296-D318 VanDerWaalsContact CG2-N 3.29Å
297	V	95.7	Very high	97.1	Very high	107 Å²	107	60.4 Å²	60.4	65%	0.648	35%	0.347	S	S	*	.			trans	-120.1	-4.1	-172.6	-62.1	0	0	0	0	113.7	P299	V297-P299 WeakPolarHBondContact O-CD 3.37Å
298	L	97.5	Very high	96.9	Very high	65 Å²	65	63.1 Å²	63.1	34%	0.34	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-85.4	121.4	178.7	-62.7	177.9	0	0	0	109.1	Y316 Y317 D318	L298-Y316 HydrophobicContact CD1-CD1 3.85Å; L298-Y316 HydrophobicContact CD1-CD2 4.32Å; L298-Y316 HydrophobicContact CD1-CE1 3.28Å; L298-Y316 HydrophobicContact CD1-CE2 3.81Å; L298-Y316 HydrophobicContact CD1-CG 4.34Å; L298-Y316 WeakPolarHBondContact CD1-OH 3.3Å; L298-Y317 HydrophobicContact CB-CD1 4.08Å; L298-Y317 HydrophobicContact CB-CE1 4.47Å; L298-Y317 WeakPolarHBondContact O-CA 3.37Å; L298-D318 WeakPolarHBondContact O-CB 3.26Å; L298-D318 PolarHBondContact O-N 3.42Å
299	P	97.6	Very high	96.8	Very high	104 Å²	104	64.4 Å²	64.4	68%	0.675	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-60.2	146.4	177.2	-22.4	33.3	0	0	0	111.7	V297 D301 Y317	V297-P299 WeakPolarHBondContact O-CD 3.37Å; P299-D301 PolarHBondContact O-N 3.5Å; P299-Y317 VanDerWaalsContact O-CD1 3.28Å; P299-Y317 WeakPolarHBondContact O-CD1 3.48Å
300	N	98.3	Very high	96.8	Very high	11 Å²	11	65.9 Å²	65.9	6%	0.059	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-53.7	129.7	172.7	-164.1	-71.1	0	0	0	111.3	G302 D318 P320 H324	N300-G302 PolarHBondContact OD1-N 2.81Å; N300-D318 WeakPolarHBondContact CB-O 3.46Å; N300-D318 PolarHBondContact ND2-O 3.26Å; N300-P320 HydrophobicContact CB-CB 4.13Å; N300-H324 PolarHBondContact O-CE1 3.26Å; N300-H324 VanDerWaalsContact O-CE1 3.24Å; N300-H324 PolarHBondContact O-ND1 3.01Å
301	D	97.3	Very high	96.8	Very high	43 Å²	43	64.2 Å²	64.2	23%	0.23	36%	0.355	C	S	.	.			trans	-88.7	-5.1	-174.4	74.4	-16.1	0	0	0	114.1	P299 K303 H305 Y317	P299-D301 PolarHBondContact O-N 3.5Å; D301-K303 VanDerWaalsContact C-N 3.3Å; D301-K303 PolarHBondContact O-N 2.88Å; D301-K303 PolarHBondContact OD1-N 2.65Å; D301-K303 VanDerWaalsContact OD1-N 3.12Å; D301-K303 WeakPolarHBondContact OD2-CD 3.48Å; D301-H305 VanDerWaalsContact CG-NE2 3.3Å; D301-H305 IonicContact OD1-CD2 2.69Å; D301-H305 IonicContact OD1-CE1 3.45Å; D301-H305 IonicContact OD1-NE2 2.73Å; D301-H305 PolarHBondContact OD1-NE2 2.92Å; D301-H305 IonicContact OD2-CE1 3.44Å; D301-H305 PolarHBondContact OD2-CE1 2.86Å; D301-H305 IonicContact OD2-NE2 3.1Å; D301-H305 PolarHBondContact OD2-NE2 2.9Å; D301-Y317 HydrophobicContact CB-CE1 4.12Å
302	G	97.1	Very high	96.7	Very high	4 Å²	4	66.2 Å²	66.2	4%	0.041	37%	0.368	C	S	.	.			trans	65.2	31.7	178.7	0	0	0	0	0	113.6	V263 N300 H324 K328	V263-G302 WeakPolarHBondContact CG1-O 3.47Å; N300-G302 PolarHBondContact OD1-N 2.81Å; G302-H324 PolarHBondContact N-CE1 3.16Å; G302-K328 WeakPolarHBondContact O-CE 3.46Å; G302-K328 PolarHBondContact O-NZ 2.86Å
303	K	97.6	Very high	96.7	Very high	131 Å²	131	61.8 Å²	61.8	57%	0.57	35%	0.35	S	S	*	.			trans	-116.6	163.3	176.6	-60.1	-176.6	-169.1	165.1	0	112.3	Q260 V263 D301 H305	Q260-K303 PolarHBondContact NE2-O 3.21Å; V263-K303 WeakPolarHBondContact CG2-O 3.23Å; D301-K303 VanDerWaalsContact C-N 3.3Å; D301-K303 PolarHBondContact O-N 2.88Å; D301-K303 PolarHBondContact OD1-N 2.65Å; D301-K303 VanDerWaalsContact OD1-N 3.12Å; D301-K303 WeakPolarHBondContact OD2-CD 3.48Å; K303-H305 PolarHBondContact O-CD2 2.91Å
304	C	98	Very high	96.6	Very high	43 Å²	43	55.7 Å²	55.7	29%	0.291	32%	0.319	S	S	.	.			trans	-79.1	127.8	176.4	-175.9	0	0	0	0	111.1	V263 C264	V263-C304 HydrophobicContact CG2-CB 4.14Å; C264-C304 WeakPolarHBondContact CA-SG 3.47Å; C264-C304 HydrophobicContact CB-CB 3.97Å; C264-C304 WeakPolarHBondContact CB-SG 3.47Å; C264-C304 WeakPolarHBondContact SG-CA 3.3Å; C264-C304 WeakPolarHBondContact SG-CB 3.46Å; C264-C304 CovalentContact SG-SG 2.03Å; C264-C304 PolarHBondContact SG-SG 2.83Å
305	H	97.8	Very high	96.5	Very high	34 Å²	34	59.7 Å²	59.7	16%	0.157	33%	0.331	C	S	.	.			trans	-134.6	40.5	-179.4	-61	-73.2	0	0	0	110.9	D301 K303 Y311 T312 M313 Y317	D301-H305 VanDerWaalsContact CG-NE2 3.3Å; D301-H305 IonicContact OD1-CD2 2.69Å; D301-H305 IonicContact OD1-CE1 3.45Å; D301-H305 IonicContact OD1-NE2 2.73Å; D301-H305 PolarHBondContact OD1-NE2 2.92Å; D301-H305 IonicContact OD2-CE1 3.44Å; D301-H305 PolarHBondContact OD2-CE1 2.86Å; D301-H305 IonicContact OD2-NE2 3.1Å; D301-H305 PolarHBondContact OD2-NE2 2.9Å; K303-H305 PolarHBondContact O-CD2 2.91Å; H305-Y311 HydrophobicContact CB-CD2 3.86Å; H305-Y311 HydrophobicContact CB-CE2 3.71Å; H305-T312 PolarHBondContact O-N 3.23Å; H305-T312 PolarHBondContact O-OG1 2.87Å; H305-M313 HydrophobicContact CB-CB 4.08Å; H305-M313 HydrophobicContact CB-CG 3.9Å; H305-Y317 AromaticContact CE1-CE2 3.91Å; H305-Y317 AromaticContact NE2-CE2 3.72Å
306	L	97.4	Very high	96.5	Very high	20 Å²	20	62.5 Å²	62.5	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.7	173.5	-69.4	-178.7	0	0	0	110.7	Y222 N224 C264 Q267 I310	Y222-L306 HydrophobicContact CD1-CD2 3.79Å; Y222-L306 HydrophobicContact CE1-CD1 4.13Å; Y222-L306 HydrophobicContact CE1-CD2 3.77Å; Y222-L306 HydrophobicContact CE1-CG 4.48Å; N224-L306 HydrophobicContact CB-CD1 4.2Å; C264-L306 HydrophobicContact CB-CD1 3.77Å; C264-L306 HydrophobicContact CB-CG 4.4Å; C264-L306 VanDerWaalsContact SG-CG 3.57Å; Q267-L306 HydrophobicContact CB-CD1 4.13Å; L306-I310 WeakPolarHBondContact CA-O 3.05Å
307	E	95.9	Very high	96.5	Very high	109 Å²	109	64.2 Å²	64.2	51%	0.509	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.8	169.4	-63.7	174	-147.3	0	0	108.6	N309 I310 T312	E307-N309 PolarHBondContact O-N 2.87Å; E307-N309 VanDerWaalsContact O-N 3.14Å; E307-I310 PolarHBondContact N-O 3.25Å; E307-I310 PolarHBondContact O-N 3.47Å; E307-T312 HydrophobicContact CB-CG2 3.76Å; E307-T312 HydrophobicContact CG-CG2 4.14Å; E307-T312 PolarHBondContact OE1-OG1 2.92Å
308	N	94.1	Very high	96.6	Very high	157 Å²	157	59.8 Å²	59.8	84%	0.84	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	39.4	-173	-57.3	-41.5	0	0	0	112.6	I310	N308-I310 PolarHBondContact O-N 2.77Å
309	N	95.5	Very high	96.7	Very high	64 Å²	64	56.7 Å²	56.7	34%	0.342	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	15.8	-176.8	-65.2	-33.3	0	0	0	116.3	K223 N224 E307	K223-N309 CarbonylContact C-O 3.58Å; K223-N309 WeakPolarHBondContact CA-O 3.08Å; N224-N309 HydrophobicContact CB-CB 4Å; N224-N309 PolarHBondContact N-O 2.6Å; N224-N309 PolarHBondContact ND2-OD1 3.33Å; N224-N309 WeakPolarHBondContact O-CB 3.32Å; E307-N309 PolarHBondContact O-N 2.87Å; E307-N309 VanDerWaalsContact O-N 3.14Å
310	I	96.7	Very high	96.7	Very high	73 Å²	73	51.8 Å²	51.8	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.3	176.2	-52.8	-172.5	0	0	0	109.3	K223 L306 E307 N308 T312	K223-I310 HydrophobicContact CG-CG1 4.13Å; K223-I310 HydrophobicContact CG-CG2 4.34Å; L306-I310 WeakPolarHBondContact CA-O 3.05Å; E307-I310 PolarHBondContact N-O 3.25Å; E307-I310 PolarHBondContact O-N 3.47Å; N308-I310 PolarHBondContact O-N 2.77Å; I310-T312 PolarHBondContact O-N 3.45Å
311	Y	97.8	Very high	96.7	Very high	6 Å²	6	53.5 Å²	53.5	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	108.9	173.5	179	-142.1	0	0	0	110.8	S221 Y222 D256 Q260 H305 M313	S221-Y311 WeakPolarHBondContact OG-CD1 3.49Å; Y222-Y311 PolarHBondContact O-N 3.39Å; D256-Y311 HydrophobicContact CB-CD1 4.31Å; D256-Y311 HydrophobicContact CB-CE1 3.98Å; Q260-Y311 HydrophobicContact CG-CD1 4.35Å; Q260-Y311 HydrophobicContact CG-CD2 3.88Å; Q260-Y311 HydrophobicContact CG-CE2 4.24Å; Q260-Y311 HydrophobicContact CG-CG 3.96Å; H305-Y311 HydrophobicContact CB-CD2 3.86Å; H305-Y311 HydrophobicContact CB-CE2 3.71Å; Y311-M313 HydrophobicContact CE2-CB 3.77Å; Y311-M313 PolarHBondContact OH-O 2.8Å
312	T	95.2	Very high	96.6	Very high	43 Å²	43	53.7 Å²	53.7	26%	0.264	27%	0.268	S	S	.	.			trans	-89.4	-22.6	-173.3	51.9	0	0	0	0	113.8	H305 E307 I310 H315	H305-T312 PolarHBondContact O-N 3.23Å; H305-T312 PolarHBondContact O-OG1 2.87Å; E307-T312 HydrophobicContact CB-CG2 3.76Å; E307-T312 HydrophobicContact CG-CG2 4.14Å; E307-T312 PolarHBondContact OE1-OG1 2.92Å; I310-T312 PolarHBondContact O-N 3.45Å; T312-H315 PolarHBondContact O-CE1 3.03Å; T312-H315 PolarHBondContact O-ND1 2.68Å
313	M	96.3	Very high	96.5	Very high	61 Å²	61	56.9 Å²	56.9	30%	0.3	29%	0.294	S	S	.	.			trans	-94.7	15	-174.2	-63.5	-67.4	172.1	0	0	114.5	H305 Y311 H315 Y316 Y317	H305-M313 HydrophobicContact CB-CB 4.08Å; H305-M313 HydrophobicContact CB-CG 3.9Å; Y311-M313 HydrophobicContact CE2-CB 3.77Å; Y311-M313 PolarHBondContact OH-O 2.8Å; M313-H315 VanDerWaalsContact C-N 3.25Å; M313-H315 PolarHBondContact O-N 3.45Å; M313-Y316 PolarHBondContact O-N 3.35Å; M313-Y317 HydrophobicContact CB-CD2 3.79Å; M313-Y317 HydrophobicContact CB-CE2 4.09Å; M313-Y317 HydrophobicContact CG-CE2 4.39Å; M313-Y317 PolarHBondContact O-N 2.89Å; M313-Y317 VanDerWaalsContact O-N 3.11Å
314	S	94.1	Very high	96.4	Very high	5 Å²	5	52.4 Å²	52.4	4%	0.035	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.2	-177.3	60.6	0	0	0	0	114.4	K193 S221	K193-S314 WeakPolarHBondContact CD-O 3.39Å; K193-S314 PolarHBondContact NZ-O 2.82Å; S221-S314 VanDerWaalsContact CB-CB 3.42Å
315	H	93.3	Very high	96.3	Very high	105 Å²	105	50.5 Å²	50.5	49%	0.486	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.2	177.9	62.7	-81.7	0	0	0	113.3	V195 T312 M313	V195-H315 HydrophobicContact CG1-CB 3.78Å; T312-H315 PolarHBondContact O-CE1 3.03Å; T312-H315 PolarHBondContact O-ND1 2.68Å; M313-H315 VanDerWaalsContact C-N 3.25Å; M313-H315 PolarHBondContact O-N 3.45Å
316	Y	95.8	Very high	96.2	Very high	121 Å²	121	50.4 Å²	50.4	48%	0.475	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-41	-177	-169.2	-102.3	0	0	0	112.1	I296 L298 M313	I296-Y316 WeakPolarHBondContact CG2-O 3.42Å; L298-Y316 HydrophobicContact CD1-CD1 3.85Å; L298-Y316 HydrophobicContact CD1-CD2 4.32Å; L298-Y316 HydrophobicContact CD1-CE1 3.28Å; L298-Y316 HydrophobicContact CD1-CE2 3.81Å; L298-Y316 HydrophobicContact CD1-CG 4.34Å; L298-Y316 WeakPolarHBondContact CD1-OH 3.3Å; M313-Y316 PolarHBondContact O-N 3.35Å
317	Y	97.9	Very high	95.9	Very high	43 Å²	43	54.5 Å²	54.5	17%	0.169	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-104.7	142.3	177.7	-65.9	-68.2	0	0	0	112	K193 I296 L298 P299 D301 H305 M313	K193-Y317 PolarHBondContact NZ-O 2.9Å; I296-Y317 WeakPolarHBondContact CG2-O 3.34Å; L298-Y317 HydrophobicContact CB-CD1 4.08Å; L298-Y317 HydrophobicContact CB-CE1 4.47Å; L298-Y317 WeakPolarHBondContact O-CA 3.37Å; P299-Y317 VanDerWaalsContact O-CD1 3.28Å; P299-Y317 WeakPolarHBondContact O-CD1 3.48Å; D301-Y317 HydrophobicContact CB-CE1 4.12Å; H305-Y317 AromaticContact CE1-CE2 3.91Å; H305-Y317 AromaticContact NE2-CE2 3.72Å; M313-Y317 HydrophobicContact CB-CD2 3.79Å; M313-Y317 HydrophobicContact CB-CE2 4.09Å; M313-Y317 HydrophobicContact CG-CE2 4.39Å; M313-Y317 PolarHBondContact O-N 2.89Å; M313-Y317 VanDerWaalsContact O-N 3.11Å
318	D	98.3	Very high	95.9	Very high	14 Å²	14	51.6 Å²	51.6	8%	0.075	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-66.3	166	172.1	-164.4	4.1	0	0	0	110.5	G289 G291 I296 L298 N300	G289-D318 WeakPolarHBondContact CA-OD2 3.34Å; G289-D318 PolarHBondContact N-OD2 3.43Å; G291-D318 WeakPolarHBondContact CA-OD1 3.47Å; G291-D318 PolarHBondContact N-OD1 3.09Å; I296-D318 HydrophobicContact CG2-CB 4.26Å; I296-D318 VanDerWaalsContact CG2-N 3.29Å; L298-D318 WeakPolarHBondContact O-CB 3.26Å; L298-D318 PolarHBondContact O-N 3.42Å; N300-D318 WeakPolarHBondContact CB-O 3.46Å; N300-D318 PolarHBondContact ND2-O 3.26Å
319	Y	98.5	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-58	150.9	171.4	-53.9	-81.3	0	0	0	110.3	E192 K193 H286 A288 D290	E192-Y319 WeakPolarHBondContact OE1-CE1 3.5Å; E192-Y319 PolarHBondContact OE1-OH 3.31Å; E192-Y319 PolarHBondContact OE2-OH 3.46Å; K193-Y319 HydrophobicContact CD-CD1 4.38Å; K193-Y319 HydrophobicContact CD-CE1 3.71Å; K193-Y319 HydrophobicContact CD-CE2 3.9Å; K193-Y319 VanDerWaalsContact CD-CZ 3.44Å; K193-Y319 WeakPolarHBondContact CD-OH 3.5Å; K193-Y319 VanDerWaalsContact CE-CD1 3.5Å; K193-Y319 HydrophobicContact CG-CE1 3.75Å; H286-Y319 HydrophobicContact CB-CD1 3.82Å; H286-Y319 HydrophobicContact CB-CD2 3.81Å; H286-Y319 HydrophobicContact CB-CE1 3.57Å; H286-Y319 HydrophobicContact CB-CE2 3.56Å; H286-Y319 HydrophobicContact CB-CG 3.93Å; H286-Y319 VanDerWaalsContact CB-CZ 3.43Å; H286-Y319 AromaticContact CG-CE2 3.95Å; H286-Y319 AromaticContact CG-CZ 3.82Å; A288-Y319 WeakPolarHBondContact CA-O 3.25Å; A288-Y319 WeakPolarHBondContact CB-O 3.43Å; D290-Y319 HydrophobicContact CB-CD2 3.96Å; D290-Y319 HydrophobicContact CB-CE2 3.9Å
320	P	98	Very high	95.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-71	151.2	174.6	32.2	-36.5	0	0	0	110.9	F255 D256 M259 A288 N300 L325	F255-P320 HydrophobicContact CB-CG 3.86Å; F255-P320 VanDerWaalsContact O-CG 3.31Å; F255-P320 WeakPolarHBondContact O-CG 3.38Å; D256-P320 WeakPolarHBondContact OD1-CD 3.43Å; M259-P320 HydrophobicContact CB-CB 4.44Å; M259-P320 HydrophobicContact CB-CG 4.03Å; M259-P320 HydrophobicContact CE-CB 3.53Å; M259-P320 HydrophobicContact CE-CG 4.31Å; A288-P320 PolarHBondContact N-O 3.37Å; N300-P320 HydrophobicContact CB-CB 4.13Å; P320-L325 HydrophobicContact CB-CD2 4.25Å; P320-L325 HydrophobicContact CB-CG 4.08Å; P320-L325 HydrophobicContact CG-CD1 4.17Å; P320-L325 HydrophobicContact CG-CD2 3.85Å; P320-L325 HydrophobicContact CG-CG 3.9Å
321	S	97.6	Very high	95.2	Very high	47 Å²	47	43.3 Å²	43.3	33%	0.329	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-77	156.8	169.7	72.3	0	0	0	0	110.1	A323 H324 L325	S321-A323 VanDerWaalsContact C-N 3.26Å; S321-A323 PolarHBondContact O-N 3.28Å; S321-H324 PolarHBondContact O-N 3.45Å; S321-H324 WeakPolarHBondContact OG-CB 3.34Å; S321-H324 PolarHBondContact OG-N 2.87Å; S321-L325 PolarHBondContact O-N 3.08Å
322	I	96.1	Very high	94.9	Very high	47 Å²	47	45.1 Å²	45.1	24%	0.241	24%	0.236	C	C	.	.	H	α-helix	trans	-55.4	-44.9	176.7	-62.6	169.4	0	0	0	110.6	F255 H324 L325 V326 L351 L354	F255-I322 HydrophobicContact CE2-CG1 3.83Å; F255-I322 HydrophobicContact CZ-CG1 4.34Å; I322-H324 VanDerWaalsContact C-N 3.3Å; I322-H324 PolarHBondContact O-N 3.21Å; I322-L325 WeakPolarHBondContact O-CB 3.33Å; I322-L325 PolarHBondContact O-N 2.84Å; I322-V326 HydrophobicContact CG2-CG2 4.32Å; I322-V326 VanDerWaalsContact O-CG2 3.27Å; I322-V326 WeakPolarHBondContact O-CG2 3.45Å; I322-V326 PolarHBondContact O-N 3.07Å; I322-L351 HydrophobicContact CB-CD1 4.46Å; I322-L351 HydrophobicContact CD1-CD1 4.02Å; I322-L351 HydrophobicContact CG1-CD1 4.01Å; I322-L351 HydrophobicContact CG2-CD1 3.64Å; I322-L354 HydrophobicContact CD1-CD1 4.26Å; I322-L354 HydrophobicContact CG2-CB 4.1Å; I322-L354 HydrophobicContact CG2-CD1 3.94Å
323	A	95.3	Very high	94.6	Very high	71 Å²	71	44.2 Å²	44.2	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-62.1	-37.2	178.3	0	0	0	0	0	112.7	S321 V326 Q327	S321-A323 VanDerWaalsContact C-N 3.26Å; S321-A323 PolarHBondContact O-N 3.28Å; A323-V326 PolarHBondContact O-N 3.4Å; A323-Q327 PolarHBondContact O-N 3.18Å
324	H	95.6	Very high	94.5	Very high	38 Å²	38	41.8 Å²	41.8	18%	0.176	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-38.1	177.3	-162.1	-175.5	0	0	0	111.4	M259 N300 G302 S321 I322 Q327 K328	M259-H324 HydrophobicContact CE-CB 4.27Å; N300-H324 PolarHBondContact O-CE1 3.26Å; N300-H324 VanDerWaalsContact O-CE1 3.24Å; N300-H324 PolarHBondContact O-ND1 3.01Å; G302-H324 PolarHBondContact N-CE1 3.16Å; S321-H324 PolarHBondContact O-N 3.45Å; S321-H324 WeakPolarHBondContact OG-CB 3.34Å; S321-H324 PolarHBondContact OG-N 2.87Å; I322-H324 VanDerWaalsContact C-N 3.3Å; I322-H324 PolarHBondContact O-N 3.21Å; H324-Q327 PolarHBondContact O-N 2.7Å; H324-K328 WeakPolarHBondContact O-CG 3.31Å; H324-K328 PolarHBondContact O-N 3.05Å
325	L	95.8	Very high	94.4	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-48.1	171.8	-74.9	174.1	0	0	0	112	F255 I258 M259 P320 S321 I322 Q327 K328 L329	F255-L325 HydrophobicContact CB-CD1 4Å; F255-L325 HydrophobicContact CD1-CD1 3.8Å; F255-L325 HydrophobicContact CD2-CD1 3.45Å; F255-L325 VanDerWaalsContact CD2-CD1 3.45Å; F255-L325 HydrophobicContact CE1-CD1 4.07Å; F255-L325 HydrophobicContact CE2-CD1 3.75Å; F255-L325 HydrophobicContact CG-CD1 3.47Å; F255-L325 VanDerWaalsContact CG-CD1 3.47Å; F255-L325 HydrophobicContact CZ-CD1 4.04Å; I258-L325 HydrophobicContact CB-CD2 4.16Å; I258-L325 HydrophobicContact CG2-CD2 3.83Å; M259-L325 HydrophobicContact CB-CD2 3.92Å; M259-L325 HydrophobicContact CE-CD2 3.97Å; M259-L325 HydrophobicContact CE-CG 4.47Å; P320-L325 HydrophobicContact CB-CD2 4.25Å; P320-L325 HydrophobicContact CB-CG 4.08Å; P320-L325 HydrophobicContact CG-CD1 4.17Å; P320-L325 HydrophobicContact CG-CD2 3.85Å; P320-L325 HydrophobicContact CG-CG 3.9Å; S321-L325 PolarHBondContact O-N 3.08Å; I322-L325 WeakPolarHBondContact O-CB 3.33Å; I322-L325 PolarHBondContact O-N 2.84Å; L325-Q327 VanDerWaalsContact C-N 3.25Å; L325-Q327 PolarHBondContact O-N 2.89Å; L325-K328 PolarHBondContact O-N 2.95Å; L325-L329 WeakPolarHBondContact O-CB 3.25Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.43Å; L325-L329 PolarHBondContact O-N 3.36Å
326	V	94.2	Very high	94.5	Very high	33 Å²	33	36.9 Å²	36.9	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-52.8	-47.3	176.9	170.2	0	0	0	0	110.6	I322 A323 S330 L354 I355 P356	I322-V326 HydrophobicContact CG2-CG2 4.32Å; I322-V326 VanDerWaalsContact O-CG2 3.27Å; I322-V326 WeakPolarHBondContact O-CG2 3.45Å; I322-V326 PolarHBondContact O-N 3.07Å; A323-V326 PolarHBondContact O-N 3.4Å; V326-S330 WeakPolarHBondContact O-CB 3.28Å; V326-S330 PolarHBondContact O-N 3.49Å; V326-L354 WeakPolarHBondContact CG2-O 3.38Å; V326-I355 HydrophobicContact CG2-CB 4.38Å; V326-I355 HydrophobicContact CG2-CG1 3.73Å; V326-P356 HydrophobicContact CG1-CG 4.36Å
327	Q	92.6	Very high	94.5	Very high	105 Å²	105	31.1 Å²	31.1	49%	0.491	17%	0.172	S	C	.	.	H	α-helix	trans	-60.5	-52.8	178.6	-175.9	179.7	-0.4	0	0	111.5	A323 H324 L325 L329 S330 D331	A323-Q327 PolarHBondContact O-N 3.18Å; H324-Q327 PolarHBondContact O-N 2.7Å; L325-Q327 VanDerWaalsContact C-N 3.25Å; L325-Q327 PolarHBondContact O-N 2.89Å; Q327-L329 PolarHBondContact O-N 3.04Å; Q327-S330 PolarHBondContact O-N 3.06Å; Q327-D331 WeakPolarHBondContact O-CB 3.33Å; Q327-D331 PolarHBondContact O-N 2.94Å
328	K	94.9	Very high	94.5	Very high	48 Å²	48	29 Å²	29	21%	0.209	16%	0.164	C	C	.	.	H	α-helix	trans	-69.9	-33.6	-175.4	-66.2	-60.6	-173.5	178.5	0	113.6	M259 A262 V263 G302 H324 L325 N332	M259-K328 HydrophobicContact CE-CB 4.39Å; M259-K328 HydrophobicContact CE-CG 3.98Å; M259-K328 HydrophobicContact SD-CB 3.99Å; M259-K328 HydrophobicContact SD-CG 3.72Å; A262-K328 HydrophobicContact CB-CB 4.45Å; V263-K328 HydrophobicContact CG1-CB 4.23Å; V263-K328 HydrophobicContact CG1-CD 4.06Å; V263-K328 HydrophobicContact CG1-CG 4.14Å; G302-K328 WeakPolarHBondContact O-CE 3.46Å; G302-K328 PolarHBondContact O-NZ 2.86Å; H324-K328 WeakPolarHBondContact O-CG 3.31Å; H324-K328 PolarHBondContact O-N 3.05Å; L325-K328 PolarHBondContact O-N 2.95Å; K328-N332 WeakPolarHBondContact O-CB 3.46Å; K328-N332 PolarHBondContact O-N 2.73Å; K328-N332 PolarHBondContact O-ND2 3.39Å
329	L	93.8	Very high	94.3	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-42.2	172.5	-71.1	168.5	0	0	0	111.1	I258 A262 L277 L325 Q327 N332 N333 I334 I355	I258-L329 HydrophobicContact CG2-CD1 4.17Å; I258-L329 HydrophobicContact CG2-CD2 4.03Å; I258-L329 HydrophobicContact CG2-CG 4.4Å; A262-L329 HydrophobicContact CB-CD2 4.13Å; L277-L329 HydrophobicContact CD2-CD2 4.4Å; L325-L329 WeakPolarHBondContact O-CB 3.25Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.43Å; L325-L329 PolarHBondContact O-N 3.36Å; Q327-L329 PolarHBondContact O-N 3.04Å; L329-N332 CarbonylContact O-C 3.55Å; L329-N332 PolarHBondContact O-N 3.38Å; L329-N333 PolarHBondContact O-N 3.46Å; L329-I334 HydrophobicContact CD2-CB 3.88Å; L329-I334 HydrophobicContact CD2-CG2 3.79Å; L329-I334 PolarHBondContact O-N 3.04Å; L329-I355 HydrophobicContact CD1-CD1 4.47Å; L329-I355 HydrophobicContact CD1-CG2 4.05Å
330	S	89.2	Confident	94.1	Very high	24 Å²	24	28.4 Å²	28.4	17%	0.168	16%	0.161	C	C	.	.	H	α-helix	trans	-68.5	-45.2	177.4	-169.6	0	0	0	0	112.7	V326 Q327 N332 N333	V326-S330 WeakPolarHBondContact O-CB 3.28Å; V326-S330 PolarHBondContact O-N 3.49Å; Q327-S330 PolarHBondContact O-N 3.06Å; S330-N332 PolarHBondContact O-N 3.32Å; S330-N333 PolarHBondContact O-N 3.39Å; S330-N333 PolarHBondContact O-OD1 2.65Å
331	D	88.8	Confident	93.9	Very high	92 Å²	92	29.3 Å²	29.3	49%	0.492	17%	0.166	S	C	.	.	H	α-helix	trans	-56.9	-36.5	177	-73.4	-14.8	0	0	0	111.2	Q327	Q327-D331 WeakPolarHBondContact O-CB 3.33Å; Q327-D331 PolarHBondContact O-N 2.94Å
332	N	91.4	Very high	93.6	Very high	44 Å²	44	34.5 Å²	34.5	24%	0.235	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	8.2	-179.8	-66.8	-75.8	0	0	0	113.9	A262 R275 K328 L329 S330 I334	A262-N332 PolarHBondContact O-ND2 3.4Å; R275-N332 WeakPolarHBondContact CD-O 3.17Å; R275-N332 PolarHBondContact NH1-O 3.36Å; K328-N332 WeakPolarHBondContact O-CB 3.46Å; K328-N332 PolarHBondContact O-N 2.73Å; K328-N332 PolarHBondContact O-ND2 3.39Å; L329-N332 CarbonylContact O-C 3.55Å; L329-N332 PolarHBondContact O-N 3.38Å; S330-N332 PolarHBondContact O-N 3.32Å; N332-I334 VanDerWaalsContact C-N 3.28Å; N332-I334 HydrophobicContact CB-CD1 3.97Å; N332-I334 HydrophobicContact CB-CG1 4.21Å; N332-I334 PolarHBondContact O-N 2.04Å
333	N	89.7	Confident	93.4	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.134	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	39.8	179.3	-56.8	-44.8	0	0	0	114.3	L329 S330 K450	L329-N333 PolarHBondContact O-N 3.46Å; S330-N333 PolarHBondContact O-N 3.39Å; S330-N333 PolarHBondContact O-OD1 2.65Å; N333-K450 PolarHBondContact OD1-NZ 3.39Å
334	I	92.9	Very high	93.3	Very high	9 Å²	9	38.4 Å²	38.4	5%	0.046	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.1	179.8	-63.5	167.9	0	0	0	109.7	A262 W270 R275 L277 L329 N332	A262-I334 HydrophobicContact CB-CD1 4Å; W270-I334 HydrophobicContact CZ2-CD1 4.29Å; R275-I334 HydrophobicContact CB-CG1 4.02Å; L277-I334 HydrophobicContact CB-CG2 3.59Å; L277-I334 HydrophobicContact CD2-CG2 4.34Å; L329-I334 HydrophobicContact CD2-CB 3.88Å; L329-I334 HydrophobicContact CD2-CG2 3.79Å; L329-I334 PolarHBondContact O-N 3.04Å; N332-I334 VanDerWaalsContact C-N 3.28Å; N332-I334 HydrophobicContact CB-CD1 3.97Å; N332-I334 HydrophobicContact CB-CG1 4.21Å; N332-I334 PolarHBondContact O-N 2.04Å
335	Q	93.8	Very high	93.2	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.033	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.5	177.3	-52.2	178.2	32.7	0	0	109.4	R275 L276 L277 K357 L381 G453	R275-Q335 PolarHBondContact O-N 3.44Å; L276-Q335 WeakPolarHBondContact CA-O 3.42Å; L276-Q335 HydrophobicContact CD2-CB 4.02Å; L277-Q335 PolarHBondContact N-O 2.81Å; Q335-K357 WeakPolarHBondContact CB-O 3.41Å; Q335-K357 HydrophobicContact CG-CB 4.31Å; Q335-L381 HydrophobicContact CB-CD1 4.11Å; Q335-G453 PolarHBondContact NE2-O 3.02Å
336	T	94.9	Very high	93.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.8	-173.9	-50.4	0	0	0	0	111.5	L277 F279 F338 S358 A359	L277-T336 HydrophobicContact CD2-CG2 4.47Å; L277-T336 HydrophobicContact CG-CG2 4.41Å; L277-T336 CarbonylContact O-C 3.14Å; L277-T336 WeakPolarHBondContact O-CA 3.36Å; F279-T336 HydrophobicContact CB-CG2 4.39Å; T336-F338 HydrophobicContact CG2-CD1 4.11Å; T336-F338 HydrophobicContact CG2-CD2 4.48Å; T336-F338 HydrophobicContact CG2-CE1 3.62Å; T336-F338 HydrophobicContact CG2-CE2 4.04Å; T336-F338 HydrophobicContact CG2-CZ 3.57Å; T336-S358 CarbonylContact O-C 3.54Å; T336-S358 WeakPolarHBondContact O-CA 3.44Å; T336-S358 WeakPolarHBondContact O-CB 3.43Å; T336-A359 PolarHBondContact O-N 3.1Å
337	I	96.4	Very high	93.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.6	173.7	-58.6	170	0	0	0	107.1	L277 V278 F279 A339 A359 L373 A377 L381	L277-I337 PolarHBondContact O-N 3.09Å; V278-I337 CarbonylContact C-O 3.55Å; V278-I337 WeakPolarHBondContact CA-O 3.37Å; V278-I337 HydrophobicContact CG2-CB 4.43Å; V278-I337 HydrophobicContact CG2-CD1 4.32Å; F279-I337 PolarHBondContact N-O 3.09Å; I337-A339 PolarHBondContact O-N 2.8Å; I337-A359 CarbonylContact C-O 3.58Å; I337-A359 WeakPolarHBondContact CA-O 3.29Å; I337-L373 HydrophobicContact CG2-CD2 3.76Å; I337-A377 HydrophobicContact CB-CB 4.37Å; I337-A377 HydrophobicContact CD1-CB 3.8Å; I337-A377 HydrophobicContact CG1-CB 3.9Å; I337-A377 HydrophobicContact CG2-CB 3.58Å; I337-L381 HydrophobicContact CD1-CD1 4.38Å; I337-L381 HydrophobicContact CG1-CD1 3.92Å
338	F	96.4	Very high	93.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	105.6	173.8	-60.2	-69.8	0	0	0	109.1	I258 F279 T336 V340 Y348 L351 I355 A359 V360 G361	I258-F338 HydrophobicContact CD1-CE1 4.26Å; F279-F338 HydrophobicContact CB-CD1 4.02Å; F279-F338 HydrophobicContact CB-CE1 4.38Å; F279-F338 AromaticContact CD1-CD1 3.74Å; F279-F338 HydrophobicContact CD1-CD1 3.74Å; F279-F338 HydrophobicContact CD1-CE1 4.23Å; F279-F338 HydrophobicContact CG-CD1 4.16Å; F279-F338 HydrophobicContact CG-CE1 4.42Å; T336-F338 HydrophobicContact CG2-CD1 4.11Å; T336-F338 HydrophobicContact CG2-CD2 4.48Å; T336-F338 HydrophobicContact CG2-CE1 3.62Å; T336-F338 HydrophobicContact CG2-CE2 4.04Å; T336-F338 HydrophobicContact CG2-CZ 3.57Å; F338-V340 HydrophobicContact CB-CG1 4.36Å; F338-Y348 HydrophobicContact CB-CD1 4.07Å; F338-Y348 HydrophobicContact CB-CG 4.43Å; F338-Y348 AromaticContact CD1-CD1 3.57Å; F338-Y348 HydrophobicContact CD1-CD1 3.57Å; F338-Y348 AromaticContact CD1-CE1 3.95Å; F338-Y348 HydrophobicContact CD1-CE1 3.95Å; F338-Y348 HydrophobicContact CE1-CD1 4.13Å; F338-Y348 HydrophobicContact CE1-CE1 4.37Å; F338-Y348 AromaticContact CG-CD1 3.82Å; F338-Y348 HydrophobicContact CG-CD1 3.82Å; F338-L351 HydrophobicContact CE1-CD2 3.9Å; F338-L351 HydrophobicContact CE2-CD2 4.13Å; F338-L351 HydrophobicContact CE2-CG 4.36Å; F338-L351 HydrophobicContact CZ-CD2 3.59Å; F338-L351 HydrophobicContact CZ-CG 4.19Å; F338-I355 HydrophobicContact CE2-CD1 4.16Å; F338-I355 HydrophobicContact CZ-CD1 3.74Å; F338-A359 PolarHBondContact N-O 3.4Å; F338-V360 HydrophobicContact CB-CG2 4.13Å; F338-V360 HydrophobicContact CD2-CG2 4.09Å; F338-V360 CarbonylContact O-C 3.57Å; F338-V360 WeakPolarHBondContact O-CA 3.41Å; F338-G361 PolarHBondContact O-N 2.89Å
339	A	95	Very high	93.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	96.2	173.1	0	0	0	0	0	108.1	V278 F279 S280 T281 I337 L363 L373	V278-A339 HydrophobicContact CG1-CB 4.28Å; F279-A339 PolarHBondContact O-N 3.19Å; S280-A339 WeakPolarHBondContact CA-O 3.41Å; T281-A339 PolarHBondContact N-O 3.5Å; I337-A339 PolarHBondContact O-N 2.8Å; A339-L363 HydrophobicContact CB-CD1 4.42Å; A339-L373 HydrophobicContact CB-CD1 4.06Å; A339-L373 HydrophobicContact CB-CD2 3.98Å
340	V	94.8	Very high	93.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.6	-171	-60.3	0	0	0	0	111.4	T281 F338 Q345 Y348 V360 G361 T362 L363	T281-V340 HydrophobicContact CG2-CG1 3.99Å; T281-V340 WeakPolarHBondContact O-CA 3.32Å; F338-V340 HydrophobicContact CB-CG1 4.36Å; V340-Q345 HydrophobicContact CG2-CB 4.39Å; V340-Y348 HydrophobicContact CB-CD2 4.1Å; V340-Y348 HydrophobicContact CB-CE2 4.35Å; V340-Y348 HydrophobicContact CG1-CD1 4.16Å; V340-Y348 HydrophobicContact CG1-CD2 3.67Å; V340-Y348 HydrophobicContact CG1-CE1 4.21Å; V340-Y348 HydrophobicContact CG1-CE2 3.73Å; V340-Y348 HydrophobicContact CG1-CG 3.88Å; V340-Y348 HydrophobicContact CG2-CD2 3.95Å; V340-Y348 HydrophobicContact CG2-CG 4.21Å; V340-V360 HydrophobicContact CG2-CG1 4.14Å; V340-G361 PolarHBondContact N-O 3.06Å; V340-G361 VanDerWaalsContact N-O 3.11Å; V340-T362 CarbonylContact O-C 3.57Å; V340-T362 WeakPolarHBondContact O-CA 3.49Å; V340-L363 PolarHBondContact O-N 3.09Å
341	T	92.1	Very high	93.5	Very high	20 Å²	20	45.9 Å²	45.9	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	158.9	176.6	56.5	0	0	0	0	111.6	D282 E343 F344 Q345	D282-T341 HydrophobicContact CB-CG2 3.53Å; T341-E343 PolarHBondContact O-N 2.94Å; T341-F344 PolarHBondContact O-N 3.26Å; T341-F344 VanDerWaalsContact O-N 3.13Å; T341-Q345 PolarHBondContact O-N 3.1Å; T341-Q345 VanDerWaalsContact O-N 3.1Å
342	E	91.8	Very high	93.7	Very high	155 Å²	155	45.1 Å²	45.1	72%	0.724	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.9	-176.4	-173.1	174.1	-173.6	0	0	113	F344 T362	E342-F344 PolarHBondContact O-N 3.33Å; E342-T362 HydrophobicContact CB-CG2 3.91Å; E342-T362 HydrophobicContact CG-CG2 4.47Å
343	E	91.9	Very high	93.6	Very high	160 Å²	160	48.1 Å²	48.1	75%	0.748	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-41.2	178.9	-177.3	171.7	-176.6	0	0	112.7	T341	T341-E343 PolarHBondContact O-N 2.94Å
344	F	93.6	Very high	93.7	Very high	40 Å²	40	51.7 Å²	51.7	18%	0.175	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-9.5	-175.7	-69.8	-84.9	0	0	0	113.7	D282 G284 T341 E342 P346 V347 Y348	D282-F344 WeakPolarHBondContact O-CD2 3.42Å; D282-F344 WeakPolarHBondContact O-CE2 3.38Å; G284-F344 VanDerWaalsContact N-CE1 3.3Å; T341-F344 PolarHBondContact O-N 3.26Å; T341-F344 VanDerWaalsContact O-N 3.13Å; E342-F344 PolarHBondContact O-N 3.33Å; F344-P346 VanDerWaalsContact C-N 3.32Å; F344-P346 VanDerWaalsContact O-N 3.16Å; F344-V347 PolarHBondContact O-N 2.83Å; F344-Y348 HydrophobicContact CB-CD2 4.17Å; F344-Y348 HydrophobicContact CB-CE2 4.06Å; F344-Y348 WeakPolarHBondContact O-CD2 3.31Å; F344-Y348 PolarHBondContact O-N 3.47Å
345	Q	93.6	Very high	93.5	Very high	60 Å²	60	51.5 Å²	51.5	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-47	-44.4	179	-176.5	-178.6	9.5	0	0	114.1	V340 T341 V347 Y348 Q349 V360 T362	V340-Q345 HydrophobicContact CG2-CB 4.39Å; T341-Q345 PolarHBondContact O-N 3.1Å; T341-Q345 VanDerWaalsContact O-N 3.1Å; Q345-V347 VanDerWaalsContact C-N 3.3Å; Q345-V347 PolarHBondContact O-N 2.99Å; Q345-Y348 PolarHBondContact O-N 3.28Å; Q345-Q349 WeakPolarHBondContact O-CB 3.3Å; Q345-Q349 PolarHBondContact O-N 2.98Å; Q345-V360 HydrophobicContact CG-CG1 4.11Å; Q345-T362 PolarHBondContact NE2-OG1 3.08Å; Q345-T362 VanDerWaalsContact NE2-OG1 3.11Å; Q345-T362 PolarHBondContact OE1-OG1 3.09Å
346	P	95.9	Very high	92.9	Very high	84 Å²	84	53.9 Å²	53.9	55%	0.545	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-37.7	-179.2	-24.4	35.6	0	0	0	113.5	F344 Q349 E350	F344-P346 VanDerWaalsContact C-N 3.32Å; F344-P346 VanDerWaalsContact O-N 3.16Å; P346-Q349 WeakPolarHBondContact O-CB 3.35Å; P346-Q349 PolarHBondContact O-N 3.12Å; P346-E350 PolarHBondContact O-N 2.78Å
347	V	94.4	Very high	92.5	Very high	74 Å²	74	54.7 Å²	54.7	45%	0.448	28%	0.278	S	S	.	.	H	α-helix	trans	-69.7	-44.8	-178.1	179.8	0	0	0	0	110.7	F285 F344 Q345 Q349 E350 L351	F285-V347 HydrophobicContact CE1-CG1 3.95Å; F285-V347 HydrophobicContact CZ-CG1 4.23Å; F344-V347 PolarHBondContact O-N 2.83Å; Q345-V347 VanDerWaalsContact C-N 3.3Å; Q345-V347 PolarHBondContact O-N 2.99Å; V347-Q349 VanDerWaalsContact C-N 3.28Å; V347-Q349 PolarHBondContact O-N 2.82Å; V347-E350 PolarHBondContact O-N 2.77Å; V347-L351 PolarHBondContact O-N 3.1Å; V347-L351 VanDerWaalsContact O-N 3.16Å
348	Y	95.7	Very high	92.3	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-71.9	-24.7	177.8	-72.2	-90.1	0	0	0	112.6	F279 T281 A283 F285 F338 V340 F344 Q345 E350 L351 K352 V360	F279-Y348 HydrophobicContact CD1-CE1 4.15Å; F279-Y348 AromaticContact CE1-CE1 3.76Å; F279-Y348 HydrophobicContact CE1-CE1 3.76Å; T281-Y348 HydrophobicContact CG2-CE2 4.42Å; T281-Y348 VanDerWaalsContact CG2-OH 3.24Å; T281-Y348 WeakPolarHBondContact CG2-OH 3.41Å; A283-Y348 WeakPolarHBondContact O-CE2 3.37Å; A283-Y348 PolarHBondContact O-OH 3.31Å; F285-Y348 HydrophobicContact CD1-CD1 4.49Å; F285-Y348 AromaticContact CD1-CE1 3.67Å; F285-Y348 HydrophobicContact CD1-CE1 3.67Å; F285-Y348 HydrophobicContact CD1-CE2 4.24Å; F285-Y348 AromaticContact CD1-CZ 3.54Å; F285-Y348 WeakPolarHBondContact CD1-OH 3.31Å; F285-Y348 HydrophobicContact CE1-CD1 4.27Å; F285-Y348 AromaticContact CE1-CE1 3.9Å; F285-Y348 HydrophobicContact CE1-CE1 3.9Å; F285-Y348 HydrophobicContact CE1-CE2 4.41Å; F285-Y348 AromaticContact CE1-CZ 4Å; F338-Y348 HydrophobicContact CB-CD1 4.07Å; F338-Y348 HydrophobicContact CB-CG 4.43Å; F338-Y348 AromaticContact CD1-CD1 3.57Å; F338-Y348 HydrophobicContact CD1-CD1 3.57Å; F338-Y348 AromaticContact CD1-CE1 3.95Å; F338-Y348 HydrophobicContact CD1-CE1 3.95Å; F338-Y348 HydrophobicContact CE1-CD1 4.13Å; F338-Y348 HydrophobicContact CE1-CE1 4.37Å; F338-Y348 AromaticContact CG-CD1 3.82Å; F338-Y348 HydrophobicContact CG-CD1 3.82Å; V340-Y348 HydrophobicContact CB-CD2 4.1Å; V340-Y348 HydrophobicContact CB-CE2 4.35Å; V340-Y348 HydrophobicContact CG1-CD1 4.16Å; V340-Y348 HydrophobicContact CG1-CD2 3.67Å; V340-Y348 HydrophobicContact CG1-CE1 4.21Å; V340-Y348 HydrophobicContact CG1-CE2 3.73Å; V340-Y348 HydrophobicContact CG1-CG 3.88Å; V340-Y348 HydrophobicContact CG2-CD2 3.95Å; V340-Y348 HydrophobicContact CG2-CG 4.21Å; F344-Y348 HydrophobicContact CB-CD2 4.17Å; F344-Y348 HydrophobicContact CB-CE2 4.06Å; F344-Y348 WeakPolarHBondContact O-CD2 3.31Å; F344-Y348 PolarHBondContact O-N 3.47Å; Q345-Y348 PolarHBondContact O-N 3.28Å; Y348-E350 VanDerWaalsContact C-N 3.32Å; Y348-L351 HydrophobicContact CD1-CD2 4.11Å; Y348-L351 HydrophobicContact CE1-CD2 4.48Å; Y348-L351 WeakPolarHBondContact O-CB 3.49Å; Y348-L351 PolarHBondContact O-N 2.89Å; Y348-K352 PolarHBondContact O-N 3.18Å; Y348-V360 WeakPolarHBondContact O-CG2 3.46Å
349	Q	94.5	Very high	92.2	Very high	65 Å²	65	55.6 Å²	55.6	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-64.8	-36.3	170.5	-169.7	68.5	23.5	0	0	112	Q345 P346 V347 K352 N353	Q345-Q349 WeakPolarHBondContact O-CB 3.3Å; Q345-Q349 PolarHBondContact O-N 2.98Å; P346-Q349 WeakPolarHBondContact O-CB 3.35Å; P346-Q349 PolarHBondContact O-N 3.12Å; V347-Q349 VanDerWaalsContact C-N 3.28Å; V347-Q349 PolarHBondContact O-N 2.82Å; Q349-K352 WeakPolarHBondContact O-CB 3.23Å; Q349-K352 PolarHBondContact O-N 2.99Å; Q349-N353 PolarHBondContact O-N 2.99Å; Q349-N353 PolarHBondContact O-ND2 3.09Å
350	E	94.3	Very high	92.1	Very high	123 Å²	123	56.7 Å²	56.7	58%	0.575	29%	0.292	S	S	*	.	H	α-helix	trans	-69	-39	171.4	-67.6	-54.2	144.2	0	0	111.7	P346 V347 Y348 K352 N353	P346-E350 PolarHBondContact O-N 2.78Å; V347-E350 PolarHBondContact O-N 2.77Å; Y348-E350 VanDerWaalsContact C-N 3.32Å; E350-K352 VanDerWaalsContact C-N 3.27Å; E350-K352 PolarHBondContact O-N 2.76Å; E350-N353 WeakPolarHBondContact O-CB 3.39Å; E350-N353 PolarHBondContact O-N 2.81Å; E350-N353 VanDerWaalsContact O-N 3.09Å; E350-N353 PolarHBondContact OE2-ND2 2.96Å
351	L	92.7	Very high	92	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-37.8	174.8	-172.4	62	0	0	0	111.9	F255 F285 I322 F338 V347 Y348 N353 L354 I355	F255-L351 HydrophobicContact CE1-CD2 3.88Å; F255-L351 HydrophobicContact CZ-CD1 4.14Å; F255-L351 HydrophobicContact CZ-CD2 3.73Å; F285-L351 HydrophobicContact CE1-CD2 4.18Å; F285-L351 HydrophobicContact CZ-CD2 4.23Å; I322-L351 HydrophobicContact CB-CD1 4.46Å; I322-L351 HydrophobicContact CD1-CD1 4.02Å; I322-L351 HydrophobicContact CG1-CD1 4.01Å; I322-L351 HydrophobicContact CG2-CD1 3.64Å; F338-L351 HydrophobicContact CE1-CD2 3.9Å; F338-L351 HydrophobicContact CE2-CD2 4.13Å; F338-L351 HydrophobicContact CE2-CG 4.36Å; F338-L351 HydrophobicContact CZ-CD2 3.59Å; F338-L351 HydrophobicContact CZ-CG 4.19Å; V347-L351 PolarHBondContact O-N 3.1Å; V347-L351 VanDerWaalsContact O-N 3.16Å; Y348-L351 HydrophobicContact CD1-CD2 4.11Å; Y348-L351 HydrophobicContact CE1-CD2 4.48Å; Y348-L351 WeakPolarHBondContact O-CB 3.49Å; Y348-L351 PolarHBondContact O-N 2.89Å; L351-N353 PolarHBondContact O-N 3.34Å; L351-L354 PolarHBondContact O-N 3.37Å; L351-I355 HydrophobicContact CD1-CD1 3.81Å; L351-I355 HydrophobicContact CD1-CG1 4.17Å; L351-I355 HydrophobicContact CD2-CD1 4.03Å; L351-I355 HydrophobicContact CG-CD1 3.65Å; L351-I355 HydrophobicContact CG-CG1 4.25Å; L351-I355 PolarHBondContact O-N 2.86Å
352	K	91.3	Very high	91.9	Very high	77 Å²	77	58.8 Å²	58.8	34%	0.335	31%	0.307	S	S	.	.	H	α-helix	trans	-58.1	-35.1	174.2	-179.3	-161.4	172.8	-176.9	0	112.9	Y348 Q349 E350 L354 S358 V360	Y348-K352 PolarHBondContact O-N 3.18Å; Q349-K352 WeakPolarHBondContact O-CB 3.23Å; Q349-K352 PolarHBondContact O-N 2.99Å; E350-K352 VanDerWaalsContact C-N 3.27Å; E350-K352 PolarHBondContact O-N 2.76Å; K352-L354 PolarHBondContact O-N 2.97Å; K352-S358 VanDerWaalsContact CA-OG 3.3Å; K352-S358 WeakPolarHBondContact CA-OG 3.41Å; K352-S358 WeakPolarHBondContact CE-O 3.41Å; K352-S358 WeakPolarHBondContact CG-OG 3.28Å; K352-S358 PolarHBondContact O-OG 2.74Å; K352-V360 HydrophobicContact CB-CG2 3.78Å; K352-V360 HydrophobicContact CD-CG2 4.13Å; K352-V360 HydrophobicContact CG-CG2 4.3Å
353	N	89.5	Confident	91.5	Very high	106 Å²	106	51.6 Å²	51.6	57%	0.567	27%	0.274	S	S	*	.	H	α-helix	trans	-68	-23.8	177.5	-62.3	-31.3	0	0	0	112.1	Q349 E350 L351	Q349-N353 PolarHBondContact O-N 2.99Å; Q349-N353 PolarHBondContact O-ND2 3.09Å; E350-N353 WeakPolarHBondContact O-CB 3.39Å; E350-N353 PolarHBondContact O-N 2.81Å; E350-N353 VanDerWaalsContact O-N 3.09Å; E350-N353 PolarHBondContact OE2-ND2 2.96Å; L351-N353 PolarHBondContact O-N 3.34Å
354	L	91.4	Very high	90.9	Very high	101 Å²	101	45.5 Å²	45.5	53%	0.529	25%	0.249	S	C	.	.	H	α-helix	trans	-93.7	-33.2	179.2	-58	177	0	0	0	112.7	I322 V326 L351 K352 P356	I322-L354 HydrophobicContact CD1-CD1 4.26Å; I322-L354 HydrophobicContact CG2-CB 4.1Å; I322-L354 HydrophobicContact CG2-CD1 3.94Å; V326-L354 WeakPolarHBondContact CG2-O 3.38Å; L351-L354 PolarHBondContact O-N 3.37Å; K352-L354 PolarHBondContact O-N 2.97Å; L354-P356 WeakPolarHBondContact O-CD 3.36Å
355	I	89.1	Confident	89.6	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	27%	0.269	C	S	.	.	S	Bend	trans	-94.6	105.9	179.9	-57.6	177	0	0	0	109.8	V326 L329 F338 L351 S358	V326-I355 HydrophobicContact CG2-CB 4.38Å; V326-I355 HydrophobicContact CG2-CG1 3.73Å; L329-I355 HydrophobicContact CD1-CD1 4.47Å; L329-I355 HydrophobicContact CD1-CG2 4.05Å; F338-I355 HydrophobicContact CE2-CD1 4.16Å; F338-I355 HydrophobicContact CZ-CD1 3.74Å; L351-I355 HydrophobicContact CD1-CD1 3.81Å; L351-I355 HydrophobicContact CD1-CG1 4.17Å; L351-I355 HydrophobicContact CD2-CD1 4.03Å; L351-I355 HydrophobicContact CG-CD1 3.65Å; L351-I355 HydrophobicContact CG-CG1 4.25Å; L351-I355 PolarHBondContact O-N 2.86Å; I355-S358 WeakPolarHBondContact O-CB 3.31Å; I355-S358 PolarHBondContact O-N 2.91Å; I355-S358 PolarHBondContact O-OG 3.37Å
356	P	82.4	Confident	88.4	Confident	57 Å²	57	47.4 Å²	47.4	37%	0.37	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	147.8	178.9	28.6	-33.7	0	0	0	110.2	V326 L354 S358 L452	V326-P356 HydrophobicContact CG1-CG 4.36Å; L354-P356 WeakPolarHBondContact O-CD 3.36Å; P356-S358 VanDerWaalsContact C-N 3.27Å; P356-S358 PolarHBondContact O-N 2.81Å; P356-L452 HydrophobicContact CB-CD1 4.26Å
357	K	85.9	Confident	87.3	Confident	17 Å²	17	43.5 Å²	43.5	7%	0.074	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	44.2	-178.3	-68.7	-59.2	-163.3	179.3	0	113.4	Q335 L381 E384 L452	Q335-K357 WeakPolarHBondContact CB-O 3.41Å; Q335-K357 HydrophobicContact CG-CB 4.31Å; K357-L381 PolarHBondContact NZ-O 3.1Å; K357-L381 VanDerWaalsContact O-CD2 3.28Å; K357-L381 WeakPolarHBondContact O-CD2 3.09Å; K357-E384 PolarHBondContact NZ-O 2.92Å; K357-E384 IonicContact NZ-OE2 2.65Å; K357-L452 WeakPolarHBondContact CE-O 3.4Å; K357-L452 HydrophobicContact CG-CB 3.68Å
358	S	92.4	Very high	86.5	Confident	9 Å²	9	44 Å²	44	6%	0.063	25%	0.254	C	S	.	.			trans	-115.1	156.3	167.8	65.9	0	0	0	0	112.2	T336 K352 I355 P356	T336-S358 CarbonylContact O-C 3.54Å; T336-S358 WeakPolarHBondContact O-CA 3.44Å; T336-S358 WeakPolarHBondContact O-CB 3.43Å; K352-S358 VanDerWaalsContact CA-OG 3.3Å; K352-S358 WeakPolarHBondContact CA-OG 3.41Å; K352-S358 WeakPolarHBondContact CE-O 3.41Å; K352-S358 WeakPolarHBondContact CG-OG 3.28Å; K352-S358 PolarHBondContact O-OG 2.74Å; I355-S358 WeakPolarHBondContact O-CB 3.31Å; I355-S358 PolarHBondContact O-N 2.91Å; I355-S358 PolarHBondContact O-OG 3.37Å; P356-S358 VanDerWaalsContact C-N 3.27Å; P356-S358 PolarHBondContact O-N 2.81Å
359	A	93.2	Very high	86	Confident	9 Å²	9	46.4 Å²	46.4	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.4	176.3	0	0	0	0	0	109.8	T336 I337 F338 A377 L381	T336-A359 PolarHBondContact O-N 3.1Å; I337-A359 CarbonylContact C-O 3.58Å; I337-A359 WeakPolarHBondContact CA-O 3.29Å; F338-A359 PolarHBondContact N-O 3.4Å; A359-A377 HydrophobicContact CB-CB 3.89Å; A359-L381 HydrophobicContact CB-CD1 4.21Å; A359-L381 HydrophobicContact CB-CD2 4.19Å; A359-L381 HydrophobicContact CB-CG 4Å
360	V	94.7	Very high	85.5	Confident	24 Å²	24	43.6 Å²	43.6	15%	0.145	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.9	174.7	-178.4	0	0	0	0	106.8	F338 V340 Q345 Y348 K352	F338-V360 HydrophobicContact CB-CG2 4.13Å; F338-V360 HydrophobicContact CD2-CG2 4.09Å; F338-V360 CarbonylContact O-C 3.57Å; F338-V360 WeakPolarHBondContact O-CA 3.41Å; V340-V360 HydrophobicContact CG2-CG1 4.14Å; Q345-V360 HydrophobicContact CG-CG1 4.11Å; Y348-V360 WeakPolarHBondContact O-CG2 3.46Å; K352-V360 HydrophobicContact CB-CG2 3.78Å; K352-V360 HydrophobicContact CD-CG2 4.13Å; K352-V360 HydrophobicContact CG-CG2 4.3Å
361	G	91.9	Very high	85	Confident	13 Å²	13	39.5 Å²	39.5	13%	0.134	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.8	174.7	0	0	0	0	0	110.3	F338 V340 L363	F338-G361 PolarHBondContact O-N 2.89Å; V340-G361 PolarHBondContact N-O 3.06Å; V340-G361 VanDerWaalsContact N-O 3.11Å; G361-L363 PolarHBondContact O-N 2.82Å
362	T	89.8	Confident	84.8	Confident	51 Å²	51	44.2 Å²	44.2	31%	0.313	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	112.6	177.1	-44.9	0	0	0	0	109.6	V340 E342 Q345 N369	V340-T362 CarbonylContact O-C 3.57Å; V340-T362 WeakPolarHBondContact O-CA 3.49Å; E342-T362 HydrophobicContact CB-CG2 3.91Å; E342-T362 HydrophobicContact CG-CG2 4.47Å; Q345-T362 PolarHBondContact NE2-OG1 3.08Å; Q345-T362 VanDerWaalsContact NE2-OG1 3.11Å; Q345-T362 PolarHBondContact OE1-OG1 3.09Å; T362-N369 PolarHBondContact O-ND2 3.35Å
363	L	84.1	Confident	84.8	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.9	172.9	-165.5	62.7	0	0	0	108.6	A339 V340 G361 S367 V370 L373	A339-L363 HydrophobicContact CB-CD1 4.42Å; V340-L363 PolarHBondContact O-N 3.09Å; G361-L363 PolarHBondContact O-N 2.82Å; L363-S367 WeakPolarHBondContact CD2-OG 3.38Å; L363-V370 HydrophobicContact CD1-CB 4Å; L363-V370 HydrophobicContact CD1-CG2 4.21Å; L363-L373 HydrophobicContact CD1-CD1 4.46Å
364	S	78.9	Confident	84.8	Confident	31 Å²	31	36.1 Å²	36.1	22%	0.217	22%	0.222	C	C	.	.			trans	-60	150.2	166.8	58.1	0	0	0	0	109.2	N366 S367 S368 N369	S364-N366 PolarHBondContact O-N 2.95Å; S364-N366 PolarHBondContact OG-OD1 3.07Å; S364-N366 VanDerWaalsContact OG-OD1 3.08Å; S364-S367 PolarHBondContact O-N 3.09Å; S364-S367 PolarHBondContact OG-N 2.84Å; S364-S368 PolarHBondContact OG-N 3.25Å; S364-S368 PolarHBondContact OG-OG 3.23Å; S364-N369 PolarHBondContact N-OD1 3.39Å; S364-N369 PolarHBondContact OG-OD1 2.93Å; S364-N369 VanDerWaalsContact OG-OD1 3.07Å
365	A	66	Low	84.7	Confident	74 Å²	74	32.5 Å²	32.5	61%	0.612	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-11.7	-178.8	0	0	0	0	0	115.6
366	N	68.5	Low	84.7	Confident	66 Å²	66	37.3 Å²	37.3	35%	0.353	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	13.2	174.6	70.5	-7.9	0	0	0	113	D161 N164 S364 S368	D161-N366 WeakPolarHBondContact OD1-CA 3.24Å; N164-N366 VanDerWaalsContact CB-O 3.32Å; N164-N366 WeakPolarHBondContact CB-O 3.26Å; N164-N366 PolarHBondContact ND2-O 3.01Å; S364-N366 PolarHBondContact O-N 2.95Å; S364-N366 PolarHBondContact OG-OD1 3.07Å; S364-N366 VanDerWaalsContact OG-OD1 3.08Å; N366-S368 PolarHBondContact O-N 2.98Å; N366-S368 VanDerWaalsContact OD1-CB 3.23Å; N366-S368 WeakPolarHBondContact OD1-CB 3.36Å; N366-S368 PolarHBondContact OD1-N 3.02Å; N366-S368 VanDerWaalsContact OD1-N 3.12Å; N366-S368 PolarHBondContact OD1-OG 2.96Å
367	S	73.1	Confident	85.1	Confident	2 Å²	2	35 Å²	35	1%	0.014	21%	0.214	C	C	.	.	S	Bend	trans	59	15.8	-177.5	-65.2	0	0	0	0	117.3	D161 L363 S364 N369 V370	D161-S367 WeakPolarHBondContact CB-OG 3.26Å; D161-S367 WeakPolarHBondContact OD1-CB 3.37Å; D161-S367 PolarHBondContact OD1-N 3.27Å; D161-S367 PolarHBondContact OD1-OG 2.88Å; L363-S367 WeakPolarHBondContact CD2-OG 3.38Å; S364-S367 PolarHBondContact O-N 3.09Å; S364-S367 PolarHBondContact OG-N 2.84Å; S367-N369 PolarHBondContact O-N 3.13Å; S367-V370 WeakPolarHBondContact O-CB 3.43Å; S367-V370 VanDerWaalsContact O-CG1 3.24Å; S367-V370 WeakPolarHBondContact O-CG1 3.42Å; S367-V370 PolarHBondContact O-N 2.9Å
368	S	76.6	Confident	85.2	Confident	84 Å²	84	35 Å²	35	59%	0.587	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.2	-179	59.8	0	0	0	0	114.7	S364 N366	S364-S368 PolarHBondContact OG-N 3.25Å; S364-S368 PolarHBondContact OG-OG 3.23Å; N366-S368 PolarHBondContact O-N 2.98Å; N366-S368 VanDerWaalsContact OD1-CB 3.23Å; N366-S368 WeakPolarHBondContact OD1-CB 3.36Å; N366-S368 PolarHBondContact OD1-N 3.02Å; N366-S368 VanDerWaalsContact OD1-N 3.12Å; N366-S368 PolarHBondContact OD1-OG 2.96Å
369	N	85	Confident	84.8	Confident	53 Å²	53	37.6 Å²	37.6	28%	0.283	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4.1	-179.8	73.1	-33.9	0	0	0	114.6	T362 S364 S367 I371 N372 L373	T362-N369 PolarHBondContact O-ND2 3.35Å; S364-N369 PolarHBondContact N-OD1 3.39Å; S364-N369 PolarHBondContact OG-OD1 2.93Å; S364-N369 VanDerWaalsContact OG-OD1 3.07Å; S367-N369 PolarHBondContact O-N 3.13Å; N369-I371 VanDerWaalsContact C-N 3.29Å; N369-I371 PolarHBondContact O-N 3.46Å; N369-N372 PolarHBondContact O-N 3.14Å; N369-L373 PolarHBondContact O-N 3.35Å
370	V	84.3	Confident	84.5	Confident	6 Å²	6	39.9 Å²	39.9	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-34.4	-169.7	68.4	0	0	0	0	114	Y150 L168 L363 S367 L373 I374	Y150-V370 HydrophobicContact CE2-CG2 3.84Å; L168-V370 HydrophobicContact CD1-CG1 3.47Å; L168-V370 VanDerWaalsContact CD1-CG1 3.47Å; L168-V370 HydrophobicContact CD2-CG1 3.85Å; L168-V370 HydrophobicContact CD2-CG2 4.39Å; L168-V370 HydrophobicContact CG-CG1 4.28Å; L363-V370 HydrophobicContact CD1-CB 4Å; L363-V370 HydrophobicContact CD1-CG2 4.21Å; S367-V370 WeakPolarHBondContact O-CB 3.43Å; S367-V370 VanDerWaalsContact O-CG1 3.24Å; S367-V370 WeakPolarHBondContact O-CG1 3.42Å; S367-V370 PolarHBondContact O-N 2.9Å; V370-L373 WeakPolarHBondContact O-CB 3.41Å; V370-L373 PolarHBondContact O-N 3.5Å; V370-I374 HydrophobicContact CG2-CD1 4.05Å; V370-I374 HydrophobicContact CG2-CG1 4.48Å; V370-I374 VanDerWaalsContact O-CG1 3.28Å; V370-I374 WeakPolarHBondContact O-CG1 3.03Å; V370-I374 PolarHBondContact O-N 2.93Å
371	I	85.1	Confident	84.1	Confident	37 Å²	37	39.1 Å²	39.1	19%	0.19	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-50.7	178.8	-63	174.1	0	0	0	110.7	L168 L172 E175 N369 L373 I374 I375	L168-I371 HydrophobicContact CD1-CD1 3.85Å; L168-I371 HydrophobicContact CD1-CG1 3.27Å; L172-I371 HydrophobicContact CB-CG1 4.49Å; L172-I371 HydrophobicContact CD1-CG1 4.49Å; L172-I371 HydrophobicContact CD1-CG2 4.13Å; E175-I371 HydrophobicContact CB-CG2 4.04Å; E175-I371 HydrophobicContact CG-CG2 3.81Å; N369-I371 VanDerWaalsContact C-N 3.29Å; N369-I371 PolarHBondContact O-N 3.46Å; I371-L373 VanDerWaalsContact C-N 3.29Å; I371-L373 PolarHBondContact O-N 2.81Å; I371-I374 PolarHBondContact O-N 3.28Å; I371-I375 HydrophobicContact CG2-CD1 3.94Å; I371-I375 WeakPolarHBondContact O-CG1 3.2Å; I371-I375 PolarHBondContact O-N 2.94Å; I371-I375 VanDerWaalsContact O-N 3.12Å
372	N	88.1	Confident	83.6	Confident	102 Å²	102	38.9 Å²	38.9	55%	0.545	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-39.7	179.5	-67.8	-26	0	0	0	110.6	N369 I374 I375 D376	N369-N372 PolarHBondContact O-N 3.14Å; N372-I374 PolarHBondContact O-N 2.92Å; N372-I375 PolarHBondContact O-N 3.02Å; N372-D376 WeakPolarHBondContact O-CB 3.49Å; N372-D376 VanDerWaalsContact O-CG 3.27Å; N372-D376 PolarHBondContact O-N 3.38Å
373	L	90.4	Very high	83.4	Confident	13 Å²	13	38.1 Å²	38.1	7%	0.068	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-47.7	175.6	-172.9	163.5	0	0	0	111.6	I337 A339 L363 N369 V370 I371 I375 D376 A377	I337-L373 HydrophobicContact CG2-CD2 3.76Å; A339-L373 HydrophobicContact CB-CD1 4.06Å; A339-L373 HydrophobicContact CB-CD2 3.98Å; L363-L373 HydrophobicContact CD1-CD1 4.46Å; N369-L373 PolarHBondContact O-N 3.35Å; V370-L373 WeakPolarHBondContact O-CB 3.41Å; V370-L373 PolarHBondContact O-N 3.5Å; I371-L373 VanDerWaalsContact C-N 3.29Å; I371-L373 PolarHBondContact O-N 2.81Å; L373-I375 PolarHBondContact O-N 3.21Å; L373-D376 PolarHBondContact O-N 2.95Å; L373-A377 WeakPolarHBondContact O-CB 3.44Å; L373-A377 PolarHBondContact O-N 3.12Å
374	I	90.3	Very high	83.6	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-43.8	178.4	-70.1	167.1	0	0	0	111	L148 Y150 L172 V278 V370 I371 N372 Y378	L148-I374 HydrophobicContact CD1-CD1 4.39Å; L148-I374 HydrophobicContact CD1-CG2 3.53Å; Y150-I374 HydrophobicContact CD2-CD1 4.46Å; Y150-I374 HydrophobicContact CE2-CD1 4.34Å; L172-I374 HydrophobicContact CD1-CB 4.46Å; L172-I374 HydrophobicContact CD1-CD1 4.16Å; L172-I374 HydrophobicContact CD1-CG2 4.26Å; L172-I374 HydrophobicContact CD2-CD1 3.81Å; V278-I374 HydrophobicContact CG1-CD1 4.35Å; V278-I374 HydrophobicContact CG1-CG1 4.32Å; V278-I374 HydrophobicContact CG2-CD1 3.98Å; V278-I374 HydrophobicContact CG2-CG1 3.9Å; V370-I374 HydrophobicContact CG2-CD1 4.05Å; V370-I374 HydrophobicContact CG2-CG1 4.48Å; V370-I374 VanDerWaalsContact O-CG1 3.28Å; V370-I374 WeakPolarHBondContact O-CG1 3.03Å; V370-I374 PolarHBondContact O-N 2.93Å; I371-I374 PolarHBondContact O-N 3.28Å; N372-I374 PolarHBondContact O-N 2.92Å; I374-Y378 VanDerWaalsContact O-CB 3.3Å; I374-Y378 WeakPolarHBondContact O-CB 3.33Å; I374-Y378 PolarHBondContact O-N 3.47Å
375	I	88.4	Confident	84.1	Confident	26 Å²	26	38.6 Å²	38.6	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-46.5	179.9	-66.9	166.6	0	0	0	110.8	E175 M176 I179 I371 N372 L373 Y378 N379	E175-I375 HydrophobicContact CB-CD1 3.87Å; E175-I375 HydrophobicContact CG-CD1 4.45Å; M176-I375 HydrophobicContact SD-CG1 4.46Å; I179-I375 HydrophobicContact CD1-CG2 4.28Å; I371-I375 HydrophobicContact CG2-CD1 3.94Å; I371-I375 WeakPolarHBondContact O-CG1 3.2Å; I371-I375 PolarHBondContact O-N 2.94Å; I371-I375 VanDerWaalsContact O-N 3.12Å; N372-I375 PolarHBondContact O-N 3.02Å; L373-I375 PolarHBondContact O-N 3.21Å; I375-Y378 PolarHBondContact O-N 3.29Å; I375-N379 WeakPolarHBondContact O-CB 3.39Å; I375-N379 VanDerWaalsContact O-CG 3.29Å; I375-N379 PolarHBondContact O-N 3.18Å; I375-N379 PolarHBondContact O-ND2 3.43Å
376	D	89.5	Confident	85.3	Confident	105 Å²	105	37 Å²	37	56%	0.561	21%	0.213	S	C	*	.	H	α-helix	trans	-64.7	-42.7	179.1	-71	-20.7	0	0	0	111.2	N372 L373 N379 A380	N372-D376 WeakPolarHBondContact O-CB 3.49Å; N372-D376 VanDerWaalsContact O-CG 3.27Å; N372-D376 PolarHBondContact O-N 3.38Å; L373-D376 PolarHBondContact O-N 2.95Å; D376-N379 PolarHBondContact O-N 2.99Å; D376-A380 WeakPolarHBondContact O-CB 3.39Å; D376-A380 PolarHBondContact O-N 3.1Å
377	A	90.4	Very high	86.4	Confident	9 Å²	9	34 Å²	34	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-44.1	175.6	0	0	0	0	0	111.8	I337 A359 L373 N379 A380 L381	I337-A377 HydrophobicContact CB-CB 4.37Å; I337-A377 HydrophobicContact CD1-CB 3.8Å; I337-A377 HydrophobicContact CG1-CB 3.9Å; I337-A377 HydrophobicContact CG2-CB 3.58Å; A359-A377 HydrophobicContact CB-CB 3.89Å; L373-A377 WeakPolarHBondContact O-CB 3.44Å; L373-A377 PolarHBondContact O-N 3.12Å; A377-N379 PolarHBondContact O-N 3.12Å; A377-A380 PolarHBondContact O-N 3.07Å; A377-L381 WeakPolarHBondContact O-CB 3.49Å; A377-L381 VanDerWaalsContact O-CG 3.23Å; A377-L381 WeakPolarHBondContact O-CG 3.29Å; A377-L381 PolarHBondContact O-N 3.42Å
378	Y	87.7	Confident	87.3	Confident	16 Å²	16	37.4 Å²	37.4	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-48	173.5	168.7	-101.8	0	0	0	111.3	R140 I146 I179 T274 L276 I374 I375 A380 L381 S382	R140-Y378 PolarHBondContact NH2-OH 3.39Å; I146-Y378 HydrophobicContact CD1-CD2 4.27Å; I146-Y378 HydrophobicContact CD1-CE1 4.43Å; I146-Y378 HydrophobicContact CD1-CE2 3.6Å; I146-Y378 HydrophobicContact CG1-CE2 4.4Å; I179-Y378 HydrophobicContact CD1-CD1 4.37Å; I179-Y378 HydrophobicContact CG2-CE1 3.7Å; T274-Y378 HydrophobicContact CG2-CE2 4.49Å; L276-Y378 HydrophobicContact CD1-CD2 3.83Å; L276-Y378 HydrophobicContact CD1-CG 4.49Å; L276-Y378 HydrophobicContact CD2-CD2 4.46Å; I374-Y378 VanDerWaalsContact O-CB 3.3Å; I374-Y378 WeakPolarHBondContact O-CB 3.33Å; I374-Y378 PolarHBondContact O-N 3.47Å; I375-Y378 PolarHBondContact O-N 3.29Å; Y378-A380 VanDerWaalsContact C-N 3.34Å; Y378-A380 PolarHBondContact O-N 2.84Å; Y378-L381 PolarHBondContact O-N 2.89Å; Y378-S382 VanDerWaalsContact O-CB 3.22Å; Y378-S382 WeakPolarHBondContact O-CB 3.44Å; Y378-S382 PolarHBondContact O-N 3.32Å; Y378-S382 PolarHBondContact O-OG 2.91Å
379	N	85.9	Confident	88	Confident	65 Å²	65	35 Å²	35	35%	0.348	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-41.3	178.2	-74.2	-32.6	0	0	0	111.9	I375 D376 A377 S382 S383	I375-N379 WeakPolarHBondContact O-CB 3.39Å; I375-N379 VanDerWaalsContact O-CG 3.29Å; I375-N379 PolarHBondContact O-N 3.18Å; I375-N379 PolarHBondContact O-ND2 3.43Å; D376-N379 PolarHBondContact O-N 2.99Å; A377-N379 PolarHBondContact O-N 3.12Å; N379-S382 WeakPolarHBondContact CA-OG 3.41Å; N379-S382 PolarHBondContact O-OG 2.89Å; N379-S382 VanDerWaalsContact O-OG 3.07Å; N379-S383 VanDerWaalsContact O-CB 3.3Å; N379-S383 WeakPolarHBondContact O-CB 3.21Å; N379-S383 PolarHBondContact O-N 2.74Å
380	A	86.6	Confident	88.2	Confident	56 Å²	56	35.2 Å²	35.2	46%	0.463	20%	0.197	S	C	.	.	H	α-helix	trans	-64	-49.5	176.5	0	0	0	0	0	111.9	D376 A377 Y378 S382 S383	D376-A380 WeakPolarHBondContact O-CB 3.39Å; D376-A380 PolarHBondContact O-N 3.1Å; A377-A380 PolarHBondContact O-N 3.07Å; Y378-A380 VanDerWaalsContact C-N 3.34Å; Y378-A380 PolarHBondContact O-N 2.84Å; A380-S382 VanDerWaalsContact C-N 3.28Å; A380-S382 PolarHBondContact O-N 3.19Å; A380-S383 WeakPolarHBondContact O-CB 3.26Å; A380-S383 PolarHBondContact O-N 3.29Å; A380-S383 VanDerWaalsContact O-N 3.15Å; A380-S383 PolarHBondContact O-OG 2.79Å
381	L	85.4	Confident	88.3	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-39.5	179.8	-75	170.4	0	0	0	112.6	L276 Q335 I337 K357 A359 A377 Y378 S383	L276-L381 HydrophobicContact CD2-CD1 4.47Å; Q335-L381 HydrophobicContact CB-CD1 4.11Å; I337-L381 HydrophobicContact CD1-CD1 4.38Å; I337-L381 HydrophobicContact CG1-CD1 3.92Å; K357-L381 PolarHBondContact NZ-O 3.1Å; K357-L381 VanDerWaalsContact O-CD2 3.28Å; K357-L381 WeakPolarHBondContact O-CD2 3.09Å; A359-L381 HydrophobicContact CB-CD1 4.21Å; A359-L381 HydrophobicContact CB-CD2 4.19Å; A359-L381 HydrophobicContact CB-CG 4Å; A377-L381 WeakPolarHBondContact O-CB 3.49Å; A377-L381 VanDerWaalsContact O-CG 3.23Å; A377-L381 WeakPolarHBondContact O-CG 3.29Å; A377-L381 PolarHBondContact O-N 3.42Å; Y378-L381 PolarHBondContact O-N 2.89Å; L381-S383 VanDerWaalsContact C-N 3.34Å
382	S	82.3	Confident	88.3	Confident	7 Å²	7	44.3 Å²	44.3	5%	0.049	24%	0.237	C	C	.	.	H	α-helix	trans	-83.8	-9.2	-179.1	62.8	0	0	0	0	113.9	R140 Y378 N379 A380 E384	R140-S382 VanDerWaalsContact NH1-CB 3.33Å; R140-S382 PolarHBondContact NH1-O 3.1Å; R140-S382 PolarHBondContact NH1-OG 3.13Å; R140-S382 VanDerWaalsContact NH2-CB 3.25Å; R140-S382 PolarHBondContact NH2-OG 3.39Å; Y378-S382 VanDerWaalsContact O-CB 3.22Å; Y378-S382 WeakPolarHBondContact O-CB 3.44Å; Y378-S382 PolarHBondContact O-N 3.32Å; Y378-S382 PolarHBondContact O-OG 2.91Å; N379-S382 WeakPolarHBondContact CA-OG 3.41Å; N379-S382 PolarHBondContact O-OG 2.89Å; N379-S382 VanDerWaalsContact O-OG 3.07Å; A380-S382 VanDerWaalsContact C-N 3.28Å; A380-S382 PolarHBondContact O-N 3.19Å; S382-E384 PolarHBondContact O-N 2.82Å
383	S	85.5	Confident	88.1	Confident	35 Å²	35	41.4 Å²	41.4	25%	0.245	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.2	175.3	76.4	0	0	0	0	114.1	N379 A380 L381 S419 N420 I421	N379-S383 VanDerWaalsContact O-CB 3.3Å; N379-S383 WeakPolarHBondContact O-CB 3.21Å; N379-S383 PolarHBondContact O-N 2.74Å; A380-S383 WeakPolarHBondContact O-CB 3.26Å; A380-S383 PolarHBondContact O-N 3.29Å; A380-S383 VanDerWaalsContact O-N 3.15Å; A380-S383 PolarHBondContact O-OG 2.79Å; L381-S383 VanDerWaalsContact C-N 3.34Å; S383-S419 CarbonylContact O-C 3.11Å; S383-N420 PolarHBondContact O-N 3.05Å; S383-I421 VanDerWaalsContact CA-O 3.29Å; S383-I421 WeakPolarHBondContact CA-O 3.35Å; S383-I421 PolarHBondContact O-N 3.3Å
384	E	87.8	Confident	87.7	Confident	43 Å²	43	48 Å²	48	20%	0.201	26%	0.26	C	S	.	.			trans	-124.6	141.9	-175.9	-171.8	-174.2	-148.2	0	0	109.6	K357 S382 I386 K417 C418	K357-E384 PolarHBondContact NZ-O 2.92Å; K357-E384 IonicContact NZ-OE2 2.65Å; S382-E384 PolarHBondContact O-N 2.82Å; E384-I386 HydrophobicContact CG-CD1 4.26Å; E384-I386 HydrophobicContact CG-CG1 3.95Å; E384-K417 HydrophobicContact CG-CG 4.37Å; E384-K417 VanDerWaalsContact OE1-CD 3.3Å; E384-K417 WeakPolarHBondContact OE1-CD 3.46Å; E384-K417 WeakPolarHBondContact OE1-CE 3.46Å; E384-K417 IonicContact OE1-NZ 3.15Å; E384-K417 PolarHBondContact OE1-NZ 3.32Å; E384-C418 CarbonylContact C-O 3.38Å; E384-C418 WeakPolarHBondContact CA-O 3.36Å
385	V	89.6	Confident	87.4	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.7	175.2	-177	0	0	0	0	106.8	F138 K417 C418 I421 F429 P451	F138-V385 HydrophobicContact CD1-CB 4.4Å; F138-V385 HydrophobicContact CD1-CG1 3.9Å; F138-V385 HydrophobicContact CD1-CG2 3.66Å; F138-V385 HydrophobicContact CE1-CB 4.43Å; F138-V385 HydrophobicContact CE1-CG1 4.13Å; F138-V385 HydrophobicContact CE1-CG2 3.4Å; F138-V385 HydrophobicContact CG-CG1 4.13Å; F138-V385 HydrophobicContact CZ-CG2 4.23Å; V385-K417 CarbonylContact O-C 3.59Å; V385-K417 VanDerWaalsContact O-CA 3.31Å; V385-K417 WeakPolarHBondContact O-CA 3.27Å; V385-C418 PolarHBondContact N-O 2.92Å; V385-C418 PolarHBondContact O-N 3.41Å; V385-I421 HydrophobicContact CG2-CG1 4.19Å; V385-I421 HydrophobicContact CG2-CG2 4.43Å; V385-F429 HydrophobicContact CB-CZ 4.42Å; V385-F429 HydrophobicContact CG1-CE2 4.08Å; V385-F429 HydrophobicContact CG1-CZ 3.98Å; V385-P451 HydrophobicContact CG1-CB 4.09Å
386	I	91.1	Very high	87.5	Confident	40 Å²	40	50.1 Å²	50.1	21%	0.205	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.5	178.4	-54.7	176.5	0	0	0	107	E384 R416 K417 P451 L452	E384-I386 HydrophobicContact CG-CD1 4.26Å; E384-I386 HydrophobicContact CG-CG1 3.95Å; I386-R416 WeakPolarHBondContact CA-O 3.44Å; I386-K417 HydrophobicContact CD1-CD 4.47Å; I386-K417 HydrophobicContact CG1-CB 4.45Å; I386-K417 HydrophobicContact CG1-CD 4.32Å; I386-K417 HydrophobicContact CG1-CG 4.19Å; I386-P451 CarbonylContact O-C 3.15Å; I386-P451 WeakPolarHBondContact O-CA 3.24Å; I386-L452 HydrophobicContact CB-CD1 3.99Å; I386-L452 HydrophobicContact CB-CG 4.44Å; I386-L452 HydrophobicContact CG2-CD1 3.9Å; I386-L452 PolarHBondContact O-N 3.37Å
387	L	92.3	Very high	87.7	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.3	174.7	-62.9	-175.2	0	0	0	111.3	L136 Y400 R416 F429 I431 I449 P451	L136-L387 HydrophobicContact CD1-CD1 4.27Å; L136-L387 HydrophobicContact CD2-CD2 4.43Å; L387-Y400 HydrophobicContact CB-CE1 4.34Å; L387-Y400 HydrophobicContact CD1-CD1 4.21Å; L387-Y400 HydrophobicContact CD1-CE1 4.29Å; L387-R416 PolarHBondContact N-O 2.03Å; L387-F429 HydrophobicContact CD1-CB 3.7Å; L387-F429 HydrophobicContact CD1-CD1 3.63Å; L387-F429 HydrophobicContact CD1-CD2 3.79Å; L387-F429 HydrophobicContact CD1-CE1 4.15Å; L387-F429 HydrophobicContact CD1-CE2 4.27Å; L387-F429 HydrophobicContact CD1-CG 3.42Å; L387-F429 VanDerWaalsContact CD1-CG 3.42Å; L387-F429 HydrophobicContact CD1-CZ 4.44Å; L387-F429 HydrophobicContact CD2-CE2 4.43Å; L387-F429 HydrophobicContact CG-CD1 4.13Å; L387-F429 HydrophobicContact CG-CD2 4.27Å; L387-F429 HydrophobicContact CG-CE1 4.13Å; L387-F429 HydrophobicContact CG-CE2 4.26Å; L387-F429 HydrophobicContact CG-CG 4.2Å; L387-F429 HydrophobicContact CG-CZ 4.19Å; L387-I431 HydrophobicContact CD1-CD1 4.11Å; L387-I449 HydrophobicContact CB-CG2 4.2Å; L387-I449 HydrophobicContact CD1-CG2 4.24Å; L387-I449 HydrophobicContact CD2-CG2 4.46Å; L387-P451 HydrophobicContact CD2-CB 4.16Å
388	E	90.3	Very high	87.9	Confident	74 Å²	74	48.1 Å²	48.1	35%	0.346	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.9	170.7	-173.7	179.6	-142.5	0	0	109.4	I449 K450 L452	E388-I449 CarbonylContact O-C 3.6Å; E388-I449 WeakPolarHBondContact O-CA 3.33Å; E388-K450 PolarHBondContact N-O 2.99Å; E388-K450 PolarHBondContact O-N 3.19Å; E388-L452 HydrophobicContact CB-CD2 3.74Å; E388-L452 HydrophobicContact CB-CG 4.05Å; E388-L452 HydrophobicContact CG-CD2 4.32Å; E388-L452 WeakPolarHBondContact OE2-CD2 3.41Å
389	N	91.8	Very high	88.2	Confident	33 Å²	33	53.6 Å²	53.6	18%	0.176	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.3	175.8	63.1	-92.4	0	0	0	111.3	V392 Y400 I447 K448 I449	N389-V392 VanDerWaalsContact ND2-CG2 3.34Å; N389-V392 WeakPolarHBondContact ND2-CG2 3.04Å; N389-Y400 VanDerWaalsContact CB-OH 3.31Å; N389-Y400 WeakPolarHBondContact CB-OH 3.41Å; N389-Y400 VanDerWaalsContact CG-OH 3.27Å; N389-Y400 PolarHBondContact OD1-OH 3.35Å; N389-I447 HydrophobicContact CB-CG2 4.39Å; N389-K448 CarbonylContact C-O 3.59Å; N389-K448 VanDerWaalsContact CA-O 3.24Å; N389-K448 WeakPolarHBondContact CA-O 3.41Å; N389-I449 HydrophobicContact CB-CG1 3.91Å
390	T	89.9	Confident	88.7	Confident	59 Å²	59	51 Å²	51	36%	0.362	27%	0.273	S	S	.	.			trans	-58.8	157	169.5	51.4	0	0	0	0	111	V392 K448	T390-V392 VanDerWaalsContact O-CG2 3.28Å; T390-V392 WeakPolarHBondContact O-CG2 3.09Å; T390-V392 PolarHBondContact O-N 2.79Å; T390-K448 HydrophobicContact CG2-CB 3.83Å; T390-K448 HydrophobicContact CG2-CD 4.47Å; T390-K448 HydrophobicContact CG2-CG 4.48Å; T390-K448 PolarHBondContact N-O 3.18Å; T390-K448 PolarHBondContact OG1-N 3.17Å
391	K	86.1	Confident	89.1	Confident	204 Å²	204	50 Å²	50	89%	0.887	26%	0.261	S	S	*	.			trans	-53.5	130.4	175.7	-172.2	176.2	-179.1	179.1	0	110.1
392	V	86	Confident	89.6	Confident	30 Å²	30	49.5 Å²	49.5	18%	0.182	26%	0.259	C	S	.	.			trans	-107.2	148.6	-175.8	-173.9	0	0	0	0	109.5	N389 T390 V396 I398 I447	N389-V392 VanDerWaalsContact ND2-CG2 3.34Å; N389-V392 WeakPolarHBondContact ND2-CG2 3.04Å; T390-V392 VanDerWaalsContact O-CG2 3.28Å; T390-V392 WeakPolarHBondContact O-CG2 3.09Å; T390-V392 PolarHBondContact O-N 2.79Å; V392-V396 HydrophobicContact CG1-CB 3.55Å; V392-V396 HydrophobicContact CG1-CG1 3.68Å; V392-I398 HydrophobicContact CG2-CD1 3.75Å; V392-I398 HydrophobicContact CG2-CG1 4.45Å; V392-I447 HydrophobicContact CB-CD1 4.48Å; V392-I447 HydrophobicContact CG1-CD1 3.81Å; V392-I447 HydrophobicContact CG2-CD1 3.99Å; V392-I447 HydrophobicContact CG2-CG2 4.47Å
393	S	83.7	Confident	90.1	Very high	40 Å²	40	55.2 Å²	55.2	28%	0.28	28%	0.279	S	S	.	.			trans	-61.8	151.8	172.5	68.2	0	0	0	0	112.5	N395 V396 E445	S393-N395 PolarHBondContact O-N 2.9Å; S393-V396 PolarHBondContact O-N 2.71Å; S393-V396 VanDerWaalsContact O-N 3.08Å; S393-E445 WeakPolarHBondContact CB-OE1 3.28Å; S393-E445 WeakPolarHBondContact CB-OE2 3.42Å; S393-E445 PolarHBondContact N-OE1 2.91Å; S393-E445 PolarHBondContact OG-OE1 2.9Å; S393-E445 PolarHBondContact OG-OE2 2.89Å
394	N	81.5	Confident	90.4	Very high	151 Å²	151	54.2 Å²	54.2	81%	0.807	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.3	-178.9	-69	-12.7	0	0	0	113.5	V396	N394-V396 VanDerWaalsContact C-N 3.34Å
395	N	84.3	Confident	90.2	Very high	61 Å²	61	56.4 Å²	56.4	33%	0.326	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-4.8	-178.6	-66.3	0.1	0	0	0	112.6	S393 S435 K436 C438	S393-N395 PolarHBondContact O-N 2.9Å; N395-S435 CarbonylContact O-C 2.9Å; N395-S435 WeakPolarHBondContact O-CA 3.31Å; N395-K436 PolarHBondContact O-N 2.96Å; N395-C438 PolarHBondContact ND2-O 2.92Å
396	V	90.8	Very high	89.7	Confident	10 Å²	10	63.7 Å²	63.7	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.3	-179.1	175.9	0	0	0	0	110.3	V392 S393 N394 I433 T434 I447 L462 F464	V392-V396 HydrophobicContact CG1-CB 3.55Å; V392-V396 HydrophobicContact CG1-CG1 3.68Å; S393-V396 PolarHBondContact O-N 2.71Å; S393-V396 VanDerWaalsContact O-N 3.08Å; N394-V396 VanDerWaalsContact C-N 3.34Å; V396-I433 HydrophobicContact CG1-CG2 3.48Å; V396-I433 VanDerWaalsContact CG1-CG2 3.48Å; V396-T434 WeakPolarHBondContact CA-O 3.22Å; V396-I447 HydrophobicContact CG1-CD1 4.41Å; V396-L462 HydrophobicContact CG1-CD1 4.08Å; V396-L462 HydrophobicContact CG2-CD1 4.19Å; V396-F464 HydrophobicContact CG2-CE1 3.66Å; V396-F464 HydrophobicContact CG2-CZ 3.71Å
397	T	92.7	Very high	89.1	Confident	50 Å²	50	64.8 Å²	64.8	31%	0.307	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.2	175.4	51.5	0	0	0	0	110.3	I433 T434	T397-I433 WeakPolarHBondContact O-CA 3.35Å; T397-T434 PolarHBondContact N-O 3.16Å; T397-T434 PolarHBondContact O-N 3.26Å; T397-T434 PolarHBondContact OG1-O 2.8Å
398	I	94.1	Very high	88.9	Confident	23 Å²	23	68.1 Å²	68.1	12%	0.118	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.8	177.7	-49.4	-178.5	0	0	0	109.5	V392 Y400 I431 S432 I433 I447	V392-I398 HydrophobicContact CG2-CD1 3.75Å; V392-I398 HydrophobicContact CG2-CG1 4.45Å; I398-Y400 HydrophobicContact CB-CE2 3.92Å; I398-Y400 HydrophobicContact CG2-CD2 3.98Å; I398-Y400 HydrophobicContact CG2-CE1 4.21Å; I398-Y400 HydrophobicContact CG2-CE2 3.33Å; I398-Y400 VanDerWaalsContact CG2-CZ 3.48Å; I398-I431 HydrophobicContact CG2-CG2 3.66Å; I398-S432 WeakPolarHBondContact CA-O 3.27Å; I398-I433 HydrophobicContact CD1-CD1 4.36Å; I398-I433 HydrophobicContact CG1-CD1 4.4Å; I398-I433 HydrophobicContact CG1-CG1 4.14Å; I398-I433 HydrophobicContact CG1-CG2 4.48Å; I398-I433 HydrophobicContact CG2-CG1 4.13Å; I398-I447 HydrophobicContact CD1-CD1 4.06Å; I398-I447 HydrophobicContact CD1-CG2 4.13Å
399	E	95.1	Very high	88.9	Confident	131 Å²	131	69.2 Å²	69.2	61%	0.612	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.3	172.4	-65.2	-173.3	172.3	0	0	110.6	S432	E399-S432 PolarHBondContact N-O 3.09Å; E399-S432 PolarHBondContact O-N 3.09Å
400	Y	95.6	Very high	88.9	Confident	10 Å²	10	69.9 Å²	69.9	4%	0.039	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.4	-178	-62.3	-100.5	0	0	0	109.6	L387 N389 I398 G415 R416 I431 I449	L387-Y400 HydrophobicContact CB-CE1 4.34Å; L387-Y400 HydrophobicContact CD1-CD1 4.21Å; L387-Y400 HydrophobicContact CD1-CE1 4.29Å; N389-Y400 VanDerWaalsContact CB-OH 3.31Å; N389-Y400 WeakPolarHBondContact CB-OH 3.41Å; N389-Y400 VanDerWaalsContact CG-OH 3.27Å; N389-Y400 PolarHBondContact OD1-OH 3.35Å; I398-Y400 HydrophobicContact CB-CE2 3.92Å; I398-Y400 HydrophobicContact CG2-CD2 3.98Å; I398-Y400 HydrophobicContact CG2-CE1 4.21Å; I398-Y400 HydrophobicContact CG2-CE2 3.33Å; I398-Y400 VanDerWaalsContact CG2-CZ 3.48Å; Y400-G415 WeakPolarHBondContact CB-O 3.1Å; Y400-G415 WeakPolarHBondContact O-CA 3.39Å; Y400-R416 HydrophobicContact CD1-CG 3.89Å; Y400-R416 HydrophobicContact CD2-CG 3.56Å; Y400-R416 HydrophobicContact CE1-CG 4.38Å; Y400-R416 HydrophobicContact CE2-CG 4.09Å; Y400-R416 VanDerWaalsContact CE2-CZ 3.44Å; Y400-R416 HydrophobicContact CG-CG 3.43Å; Y400-R416 VanDerWaalsContact CG-CG 3.43Å; Y400-I431 HydrophobicContact CD1-CD1 4.35Å; Y400-I431 HydrophobicContact CD1-CG1 3.94Å; Y400-I431 HydrophobicContact CD1-CG2 4.4Å; Y400-I431 HydrophobicContact CE1-CD1 4.15Å; Y400-I431 HydrophobicContact CE1-CG1 4.15Å; Y400-I431 HydrophobicContact CE1-CG2 4.17Å; Y400-I449 HydrophobicContact CE1-CD1 4.14Å; Y400-I449 HydrophobicContact CE1-CG2 4.42Å
401	T	96	Very high	89	Confident	34 Å²	34	74.5 Å²	74.5	21%	0.209	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	115.1	168.4	-61.4	0	0	0	0	108.2	I409 N410 K411 G415 F429 N430	T401-I409 HydrophobicContact CG2-CG2 3.7Å; T401-N410 WeakPolarHBondContact CA-O 3Å; T401-K411 HydrophobicContact CG2-CG 4.11Å; T401-G415 CarbonylContact C-O 3.56Å; T401-F429 CarbonylContact O-C 3.53Å; T401-F429 WeakPolarHBondContact O-CA 3.08Å; T401-N430 PolarHBondContact N-O 3.24Å; T401-N430 PolarHBondContact O-N 3.06Å
402	S	95.2	Very high	89	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	142	177.2	65.7	0	0	0	0	110.7	I409 N410 G415 K417 F429	S402-I409 VanDerWaalsContact O-CA 3.28Å; S402-I409 WeakPolarHBondContact O-CA 3.49Å; S402-N410 PolarHBondContact N-O 3.27Å; S402-N410 VanDerWaalsContact N-O 3.09Å; S402-N410 PolarHBondContact O-N 3.22Å; S402-N410 WeakPolarHBondContact OG-CB 3.29Å; S402-N410 PolarHBondContact OG-ND2 3.03Å; S402-G415 VanDerWaalsContact CB-O 3.29Å; S402-G415 WeakPolarHBondContact CB-O 3.38Å; S402-G415 PolarHBondContact N-O 3.4Å; S402-K417 PolarHBondContact OG-O 3Å; S402-F429 VanDerWaalsContact CB-CD1 3.48Å; S402-F429 VanDerWaalsContact CB-CE1 3.44Å
403	R	94	Very high	88.7	Confident	126 Å²	126	75.2 Å²	75.2	48%	0.475	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	97.2	172.2	-63.3	179.4	175	175.7	-2.1	106.7	I409 H428	R403-I409 HydrophobicContact CG-CG1 4.35Å; R403-H428 HydrophobicContact CB-CB 4.23Å; R403-H428 PolarHBondContact N-O 3.3Å; R403-H428 PolarHBondContact O-N 3.21Å; R403-H428 VanDerWaalsContact O-N 3.1Å
404	C	90.7	Very high	88.9	Confident	15 Å²	15	78 Å²	78	10%	0.101	42%	0.42	C	S	.	.			trans	-93.1	-179.5	-176.4	-46.7	0	0	0	0	110.6	G407 V408 K417 C418	C404-G407 PolarHBondContact O-N 3.19Å; C404-V408 HydrophobicContact CB-CB 4.39Å; C404-V408 PolarHBondContact N-O 2.86Å; C404-K417 PolarHBondContact SG-O 2.83Å; C404-C418 WeakPolarHBondContact CA-SG 3.33Å; C404-C418 HydrophobicContact CB-CB 3.79Å; C404-C418 WeakPolarHBondContact CB-SG 3.41Å; C404-C418 WeakPolarHBondContact SG-CA 3.49Å; C404-C418 WeakPolarHBondContact SG-CB 3.5Å; C404-C418 CovalentContact SG-SG 2.04Å; C404-C418 PolarHBondContact SG-SG 2.98Å
405	K	83.4	Confident	89.3	Confident	89 Å²	89	70.9 Å²	70.9	39%	0.387	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-53.7	152.7	175.5	-165.9	167.9	-177	161.6	0	111.7	G407 V408 D425	K405-G407 PolarHBondContact O-N 3.17Å; K405-V408 PolarHBondContact O-N 3.24Å; K405-D425 VanDerWaalsContact NZ-CG 3.27Å; K405-D425 IonicContact NZ-OD1 2.84Å; K405-D425 PolarHBondContact NZ-OD1 3.47Å; K405-D425 IonicContact NZ-OD2 2.88Å; K405-D425 PolarHBondContact NZ-OD2 3.18Å
406	N	80.1	Confident	89.7	Confident	154 Å²	154	72.4 Å²	72.4	82%	0.824	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	63.3	19.6	-177.9	-53	-27.9	0	0	0	115.1	V408	N406-V408 VanDerWaalsContact C-N 3.26Å; N406-V408 PolarHBondContact O-N 3.29Å
407	G	78.5	Confident	89.7	Confident	64 Å²	64	75.4 Å²	75.4	66%	0.66	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	72.8	17.1	179.1	0	0	0	0	0	113.9	C404 K405 I409	C404-G407 PolarHBondContact O-N 3.19Å; K405-G407 PolarHBondContact O-N 3.17Å; G407-I409 PolarHBondContact O-N 3.34Å
408	V	87.3	Confident	89.7	Confident	72 Å²	72	73 Å²	73	44%	0.436	38%	0.381	S	S	.	.			trans	-69.1	121.4	175.6	177.9	0	0	0	0	109	C404 K405 N406	C404-V408 HydrophobicContact CB-CB 4.39Å; C404-V408 PolarHBondContact N-O 2.86Å; K405-V408 PolarHBondContact O-N 3.24Å; N406-V408 VanDerWaalsContact C-N 3.26Å; N406-V408 PolarHBondContact O-N 3.29Å
409	I	91	Very high	89.5	Confident	98 Å²	98	74.2 Å²	74.2	50%	0.503	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.6	177.4	-55.7	179.6	0	0	0	108.7	T401 S402 R403 G407	T401-I409 HydrophobicContact CG2-CG2 3.7Å; S402-I409 VanDerWaalsContact O-CA 3.28Å; S402-I409 WeakPolarHBondContact O-CA 3.49Å; R403-I409 HydrophobicContact CG-CG1 4.35Å; G407-I409 PolarHBondContact O-N 3.34Å
410	N	91.3	Very high	89	Confident	47 Å²	47	74.2 Å²	74.2	25%	0.251	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.4	174	-53.4	-55.5	0	0	0	110.6	T401 S402 N414 K417	T401-N410 WeakPolarHBondContact CA-O 3Å; S402-N410 PolarHBondContact N-O 3.27Å; S402-N410 VanDerWaalsContact N-O 3.09Å; S402-N410 PolarHBondContact O-N 3.22Å; S402-N410 WeakPolarHBondContact OG-CB 3.29Å; S402-N410 PolarHBondContact OG-ND2 3.03Å; N410-N414 HydrophobicContact CB-CB 4.03Å; N410-N414 WeakPolarHBondContact CB-O 2.98Å; N410-K417 PolarHBondContact ND2-O 3.49Å
411	K	90.8	Very high	88.6	Confident	155 Å²	155	73.9 Å²	73.9	67%	0.674	39%	0.394	S	S	*	.			trans	-132	169.6	177.1	-66	-175.1	178.7	-176.4	0	110	T401	T401-K411 HydrophobicContact CG2-CG 4.11Å
412	G	87.8	Confident	88.1	Confident	60 Å²	60	75.3 Å²	75.3	62%	0.619	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	67	-138.5	179.9	0	0	0	0	0	111.6	N414 G415	G412-N414 PolarHBondContact O-N 2.86Å; G412-G415 PolarHBondContact O-N 3.06Å
413	E	79.7	Confident	87.4	Confident	190 Å²	190	78.8 Å²	78.8	89%	0.888	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-57.8	-35	-178.6	-64.7	-177	168.4	0	0	112.8	G415	E413-G415 VanDerWaalsContact C-N 3.34Å
414	N	86.1	Confident	86.8	Confident	99 Å²	99	73.9 Å²	73.9	53%	0.529	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-84.4	-4.6	178.5	-70.2	-41.7	0	0	0	113.8	N410 G412 R416 K417	N410-N414 HydrophobicContact CB-CB 4.03Å; N410-N414 WeakPolarHBondContact CB-O 2.98Å; G412-N414 PolarHBondContact O-N 2.86Å; N414-R416 PolarHBondContact O-N 3.19Å; N414-R416 VanDerWaalsContact O-N 3.09Å; N414-K417 PolarHBondContact O-N 3.07Å; N414-K417 VanDerWaalsContact O-N 3.08Å
415	G	90	Very high	86.6	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-65.5	-12.3	-178.5	0	0	0	0	0	114.4	Y400 T401 S402 G412 E413	Y400-G415 WeakPolarHBondContact CB-O 3.1Å; Y400-G415 WeakPolarHBondContact O-CA 3.39Å; T401-G415 CarbonylContact C-O 3.56Å; S402-G415 VanDerWaalsContact CB-O 3.29Å; S402-G415 WeakPolarHBondContact CB-O 3.38Å; S402-G415 PolarHBondContact N-O 3.4Å; G412-G415 PolarHBondContact O-N 3.06Å; E413-G415 VanDerWaalsContact C-N 3.34Å
416	R	92.9	Very high	86.9	Confident	94 Å²	94	73.9 Å²	73.9	36%	0.355	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-91.9	-5	176.7	-63.9	178.8	-174.2	-170.4	0.8	113.8	I386 L387 Y400 N414 F429	I386-R416 WeakPolarHBondContact CA-O 3.44Å; L387-R416 PolarHBondContact N-O 2.03Å; Y400-R416 HydrophobicContact CD1-CG 3.89Å; Y400-R416 HydrophobicContact CD2-CG 3.56Å; Y400-R416 HydrophobicContact CE1-CG 4.38Å; Y400-R416 HydrophobicContact CE2-CG 4.09Å; Y400-R416 VanDerWaalsContact CE2-CZ 3.44Å; Y400-R416 HydrophobicContact CG-CG 3.43Å; Y400-R416 VanDerWaalsContact CG-CG 3.43Å; N414-R416 PolarHBondContact O-N 3.19Å; N414-R416 VanDerWaalsContact O-N 3.09Å; R416-F429 WeakPolarHBondContact O-CE1 3.33Å
417	K	92.3	Very high	87.5	Confident	72 Å²	72	66.6 Å²	66.6	31%	0.313	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.7	-166.2	177	169.2	156.4	162	0	112.2	E384 V385 I386 S402 C404 N410 N414 S419	E384-K417 HydrophobicContact CG-CG 4.37Å; E384-K417 VanDerWaalsContact OE1-CD 3.3Å; E384-K417 WeakPolarHBondContact OE1-CD 3.46Å; E384-K417 WeakPolarHBondContact OE1-CE 3.46Å; E384-K417 IonicContact OE1-NZ 3.15Å; E384-K417 PolarHBondContact OE1-NZ 3.32Å; V385-K417 CarbonylContact O-C 3.59Å; V385-K417 VanDerWaalsContact O-CA 3.31Å; V385-K417 WeakPolarHBondContact O-CA 3.27Å; I386-K417 HydrophobicContact CD1-CD 4.47Å; I386-K417 HydrophobicContact CG1-CB 4.45Å; I386-K417 HydrophobicContact CG1-CD 4.32Å; I386-K417 HydrophobicContact CG1-CG 4.19Å; S402-K417 PolarHBondContact OG-O 3Å; C404-K417 PolarHBondContact SG-O 2.83Å; N410-K417 PolarHBondContact ND2-O 3.49Å; N414-K417 PolarHBondContact O-N 3.07Å; N414-K417 VanDerWaalsContact O-N 3.08Å; K417-S419 WeakPolarHBondContact CE-OG 3.44Å
418	C	91.6	Very high	88.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.9	162.1	-75	0	0	0	0	109.8	E384 V385 C404 I421 V427 F429	E384-C418 CarbonylContact C-O 3.38Å; E384-C418 WeakPolarHBondContact CA-O 3.36Å; V385-C418 PolarHBondContact N-O 2.92Å; V385-C418 PolarHBondContact O-N 3.41Å; C404-C418 WeakPolarHBondContact CA-SG 3.33Å; C404-C418 HydrophobicContact CB-CB 3.79Å; C404-C418 WeakPolarHBondContact CB-SG 3.41Å; C404-C418 WeakPolarHBondContact SG-CA 3.49Å; C404-C418 WeakPolarHBondContact SG-CB 3.5Å; C404-C418 CovalentContact SG-SG 2.04Å; C404-C418 PolarHBondContact SG-SG 2.98Å; C418-I421 HydrophobicContact CB-CD1 4.13Å; C418-I421 HydrophobicContact CB-CG1 4.22Å; C418-V427 HydrophobicContact CB-CG1 4.21Å; C418-F429 HydrophobicContact CB-CZ 4.36Å
419	S	89.4	Confident	88.7	Confident	49 Å²	49	62.4 Å²	62.4	34%	0.343	33%	0.332	S	S	.	.			trans	-122.8	165.2	179.6	-59.1	0	0	0	0	110.5	S383 K417	S383-S419 CarbonylContact O-C 3.11Å; K417-S419 WeakPolarHBondContact CE-OG 3.44Å
420	N	85.1	Confident	89	Confident	131 Å²	131	60.4 Å²	60.4	70%	0.701	32%	0.323	S	S	*	.	S	Bend	trans	61.3	41.3	-178.5	-55.6	-26.9	0	0	0	113.7	S383	S383-N420 PolarHBondContact O-N 3.05Å
421	I	87	Confident	89.2	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.01	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-91.9	118.8	179.6	-54.5	-50.1	0	0	0	110.4	R140 S383 V385 C418 D425 V427	R140-I421 PolarHBondContact NH1-O 3.46Å; S383-I421 VanDerWaalsContact CA-O 3.29Å; S383-I421 WeakPolarHBondContact CA-O 3.35Å; S383-I421 PolarHBondContact O-N 3.3Å; V385-I421 HydrophobicContact CG2-CG1 4.19Å; V385-I421 HydrophobicContact CG2-CG2 4.43Å; C418-I421 HydrophobicContact CB-CD1 4.13Å; C418-I421 HydrophobicContact CB-CG1 4.22Å; I421-D425 HydrophobicContact CG2-CB 3.89Å; I421-V427 HydrophobicContact CD1-CG1 3.39Å; I421-V427 HydrophobicContact CG1-CG1 4.23Å
422	S	85.6	Confident	89.5	Confident	64 Å²	64	51.6 Å²	51.6	45%	0.448	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-90.7	166.4	176.4	-56.4	0	0	0	0	111.5	G424 D425	S422-G424 PolarHBondContact O-N 2.99Å; S422-D425 WeakPolarHBondContact CB-OD2 3.48Å; S422-D425 PolarHBondContact N-OD2 3.32Å; S422-D425 WeakPolarHBondContact O-CB 3.36Å; S422-D425 PolarHBondContact O-N 3.2Å; S422-D425 VanDerWaalsContact O-N 3.12Å
423	I	81.4	Confident	89.9	Confident	73 Å²	73	48.8 Å²	48.8	37%	0.374	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	133.9	170.7	-61.4	170.6	0	0	0	108.9	R140 E142 D425	R140-I423 VanDerWaalsContact NH2-CG1 3.33Å; E142-I423 HydrophobicContact CB-CG2 4.26Å; E142-I423 HydrophobicContact CG-CG2 3.56Å; I423-D425 VanDerWaalsContact C-N 3.27Å; I423-D425 PolarHBondContact O-N 3.44Å
424	G	80.3	Confident	90.6	Very high	23 Å²	23	40.9 Å²	40.9	24%	0.237	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-14.2	-178.2	0	0	0	0	0	115.3	K139 R140 S422	K139-G424 WeakPolarHBondContact CE-O 3.13Å; R140-G424 WeakPolarHBondContact O-CA 3.33Å; R140-G424 PolarHBondContact O-N 2.9Å; R140-G424 VanDerWaalsContact O-N 3.08Å; S422-G424 PolarHBondContact O-N 2.99Å
425	D	86.9	Confident	90.9	Very high	31 Å²	31	36.2 Å²	36.2	17%	0.166	20%	0.195	C	C	.	.			trans	-66.4	146.3	175.8	-76.9	-25.6	0	0	0	111.2	R140 K405 I421 S422 I423	R140-D425 PolarHBondContact N-O 2.99Å; R140-D425 VanDerWaalsContact N-O 3.17Å; K405-D425 VanDerWaalsContact NZ-CG 3.27Å; K405-D425 IonicContact NZ-OD1 2.84Å; K405-D425 PolarHBondContact NZ-OD1 3.47Å; K405-D425 IonicContact NZ-OD2 2.88Å; K405-D425 PolarHBondContact NZ-OD2 3.18Å; I421-D425 HydrophobicContact CG2-CB 3.89Å; S422-D425 WeakPolarHBondContact CB-OD2 3.48Å; S422-D425 PolarHBondContact N-OD2 3.32Å; S422-D425 WeakPolarHBondContact O-CB 3.36Å; S422-D425 PolarHBondContact O-N 3.2Å; S422-D425 VanDerWaalsContact O-N 3.12Å; I423-D425 VanDerWaalsContact C-N 3.27Å; I423-D425 PolarHBondContact O-N 3.44Å
426	E	89.9	Confident	90.7	Very high	74 Å²	74	42.9 Å²	42.9	35%	0.346	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.7	177.8	-176.1	176.1	143.6	0	0	110.1	K137 F138 H428	K137-E426 HydrophobicContact CD-CG 4.1Å; K137-E426 WeakPolarHBondContact CD-OE1 3.5Å; K137-E426 WeakPolarHBondContact CE-OE1 3.22Å; K137-E426 HydrophobicContact CG-CG 3.82Å; K137-E426 IonicContact NZ-OE1 2.77Å; K137-E426 PolarHBondContact NZ-OE1 3.27Å; K137-E426 IonicContact NZ-OE2 3.81Å; F138-E426 WeakPolarHBondContact O-CA 3.35Å; E426-H428 IonicContact OE1-CE1 3.33Å; E426-H428 PolarHBondContact OE1-CE1 3.47Å; E426-H428 IonicContact OE1-NE2 3.64Å; E426-H428 PolarHBondContact OE1-NE2 3.3Å; E426-H428 VanDerWaalsContact OE1-NE2 3.13Å
427	V	93.3	Very high	90.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.6	174.6	-63.6	0	0	0	0	111	F138 C418 I421 F429	F138-V427 HydrophobicContact CB-CG2 3.97Å; F138-V427 HydrophobicContact CD1-CG2 4.01Å; F138-V427 HydrophobicContact CG-CG2 4.48Å; F138-V427 PolarHBondContact N-O 3.04Å; F138-V427 PolarHBondContact O-N 3.36Å; C418-V427 HydrophobicContact CB-CG1 4.21Å; I421-V427 HydrophobicContact CD1-CG1 3.39Å; I421-V427 HydrophobicContact CG1-CG1 4.23Å; V427-F429 HydrophobicContact CG2-CE2 3.72Å; V427-F429 HydrophobicContact CG2-CZ 4.27Å
428	H	95.1	Very high	90	Very high	47 Å²	47	36.6 Å²	36.6	22%	0.218	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.3	-174.6	-57.2	-112.3	0	0	0	110.8	E135 L136 R403 E426	E135-H428 HydrophobicContact CG-CB 4.32Å; E135-H428 WeakPolarHBondContact OE2-CB 3.12Å; E135-H428 IonicContact OE2-CE1 3.88Å; E135-H428 IonicContact OE2-CG 3.43Å; E135-H428 IonicContact OE2-ND1 2.88Å; E135-H428 PolarHBondContact OE2-ND1 3.41Å; L136-H428 CarbonylContact O-C 3.56Å; L136-H428 WeakPolarHBondContact O-CA 3.48Å; R403-H428 HydrophobicContact CB-CB 4.23Å; R403-H428 PolarHBondContact N-O 3.3Å; R403-H428 PolarHBondContact O-N 3.21Å; R403-H428 VanDerWaalsContact O-N 3.1Å; E426-H428 IonicContact OE1-CE1 3.33Å; E426-H428 PolarHBondContact OE1-CE1 3.47Å; E426-H428 IonicContact OE1-NE2 3.64Å; E426-H428 PolarHBondContact OE1-NE2 3.3Å; E426-H428 VanDerWaalsContact OE1-NE2 3.13Å
429	F	96.1	Very high	89.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118	175.3	-61.3	-92.5	0	0	0	108.4	E135 L136 F138 V385 L387 T401 S402 R416 C418 V427 I431	E135-F429 CarbonylContact C-O 3.55Å; E135-F429 WeakPolarHBondContact CA-O 3.3Å; L136-F429 HydrophobicContact CB-CB 4.35Å; L136-F429 HydrophobicContact CD2-CD2 3.99Å; L136-F429 PolarHBondContact N-O 2.66Å; L136-F429 PolarHBondContact O-N 3.43Å; F138-F429 HydrophobicContact CB-CE2 4.41Å; V385-F429 HydrophobicContact CB-CZ 4.42Å; V385-F429 HydrophobicContact CG1-CE2 4.08Å; V385-F429 HydrophobicContact CG1-CZ 3.98Å; L387-F429 HydrophobicContact CD1-CB 3.7Å; L387-F429 HydrophobicContact CD1-CD1 3.63Å; L387-F429 HydrophobicContact CD1-CD2 3.79Å; L387-F429 HydrophobicContact CD1-CE1 4.15Å; L387-F429 HydrophobicContact CD1-CE2 4.27Å; L387-F429 HydrophobicContact CD1-CG 3.42Å; L387-F429 VanDerWaalsContact CD1-CG 3.42Å; L387-F429 HydrophobicContact CD1-CZ 4.44Å; L387-F429 HydrophobicContact CD2-CE2 4.43Å; L387-F429 HydrophobicContact CG-CD1 4.13Å; L387-F429 HydrophobicContact CG-CD2 4.27Å; L387-F429 HydrophobicContact CG-CE1 4.13Å; L387-F429 HydrophobicContact CG-CE2 4.26Å; L387-F429 HydrophobicContact CG-CG 4.2Å; L387-F429 HydrophobicContact CG-CZ 4.19Å; T401-F429 CarbonylContact O-C 3.53Å; T401-F429 WeakPolarHBondContact O-CA 3.08Å; S402-F429 VanDerWaalsContact CB-CD1 3.48Å; S402-F429 VanDerWaalsContact CB-CE1 3.44Å; R416-F429 WeakPolarHBondContact O-CE1 3.33Å; C418-F429 HydrophobicContact CB-CZ 4.36Å; V427-F429 HydrophobicContact CG2-CE2 3.72Å; V427-F429 HydrophobicContact CG2-CZ 4.27Å; F429-I431 HydrophobicContact CB-CG1 4.29Å
430	N	96.5	Very high	88.9	Confident	56 Å²	56	44.3 Å²	44.3	30%	0.299	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.7	168.3	-169.5	29	0	0	0	108.2	F134 T401	F134-N430 PolarHBondContact O-OD1 3.26Å; T401-N430 PolarHBondContact N-O 3.24Å; T401-N430 PolarHBondContact O-N 3.06Å
431	I	96.5	Very high	88.1	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.7	-174.8	-56.3	175.5	0	0	0	107	S133 F134 L136 L387 I398 Y400 F429 I433 I449	S133-I431 WeakPolarHBondContact CA-O 3.28Å; F134-I431 HydrophobicContact CD1-CB 4.37Å; F134-I431 HydrophobicContact CE1-CB 3.88Å; F134-I431 HydrophobicContact CE1-CG2 3.91Å; F134-I431 HydrophobicContact CE2-CD1 4.08Å; F134-I431 HydrophobicContact CZ-CB 3.97Å; F134-I431 HydrophobicContact CZ-CD1 3.8Å; F134-I431 HydrophobicContact CZ-CG1 4.41Å; F134-I431 HydrophobicContact CZ-CG2 4.15Å; F134-I431 PolarHBondContact N-O 2.88Å; F134-I431 PolarHBondContact O-N 2.94Å; L136-I431 HydrophobicContact CB-CD1 3.82Å; L136-I431 HydrophobicContact CD1-CD1 3.81Å; L136-I431 HydrophobicContact CG-CD1 4.48Å; L387-I431 HydrophobicContact CD1-CD1 4.11Å; I398-I431 HydrophobicContact CG2-CG2 3.66Å; Y400-I431 HydrophobicContact CD1-CD1 4.35Å; Y400-I431 HydrophobicContact CD1-CG1 3.94Å; Y400-I431 HydrophobicContact CD1-CG2 4.4Å; Y400-I431 HydrophobicContact CE1-CD1 4.15Å; Y400-I431 HydrophobicContact CE1-CG1 4.15Å; Y400-I431 HydrophobicContact CE1-CG2 4.17Å; F429-I431 HydrophobicContact CB-CG1 4.29Å; I431-I433 HydrophobicContact CG2-CG1 4.25Å; I431-I449 HydrophobicContact CD1-CD1 3.86Å; I431-I449 HydrophobicContact CD1-CG2 4.3Å; I431-I449 HydrophobicContact CG2-CD1 3.9Å
432	S	96.3	Very high	87.2	Confident	18 Å²	18	50 Å²	50	13%	0.126	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.1	-179.6	-166.1	0	0	0	0	109.9	P131 S133 I398 E399	P131-S432 VanDerWaalsContact CB-OG 3.28Å; P131-S432 WeakPolarHBondContact CB-OG 3.19Å; S133-S432 WeakPolarHBondContact OG-CB 3.47Å; S133-S432 PolarHBondContact OG-OG 3.46Å; I398-S432 WeakPolarHBondContact CA-O 3.27Å; E399-S432 PolarHBondContact N-O 3.09Å; E399-S432 PolarHBondContact O-N 3.09Å
433	I	95.6	Very high	86.7	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.7	-178.3	-55.9	-173.2	0	0	0	108.3	L124 L126 Q132 F134 V396 T397 I398 I431 I460 L462	L124-I433 HydrophobicContact CD1-CB 4.08Å; L124-I433 HydrophobicContact CD1-CD1 3.78Å; L124-I433 HydrophobicContact CD1-CG1 4.16Å; L126-I433 HydrophobicContact CD1-CG2 3.87Å; L126-I433 HydrophobicContact CD2-CG2 4.49Å; Q132-I433 PolarHBondContact N-O 2.86Å; Q132-I433 PolarHBondContact O-N 3.44Å; F134-I433 HydrophobicContact CE1-CD1 4.34Å; V396-I433 HydrophobicContact CG1-CG2 3.48Å; V396-I433 VanDerWaalsContact CG1-CG2 3.48Å; T397-I433 WeakPolarHBondContact O-CA 3.35Å; I398-I433 HydrophobicContact CD1-CD1 4.36Å; I398-I433 HydrophobicContact CG1-CD1 4.4Å; I398-I433 HydrophobicContact CG1-CG1 4.14Å; I398-I433 HydrophobicContact CG1-CG2 4.48Å; I398-I433 HydrophobicContact CG2-CG1 4.13Å; I431-I433 HydrophobicContact CG2-CG1 4.25Å; I433-I460 HydrophobicContact CD1-CD1 4.03Å; I433-I460 HydrophobicContact CD1-CG2 4.13Å; I433-L462 HydrophobicContact CD1-CD2 4.42Å; I433-L462 HydrophobicContact CG2-CD1 4.35Å; I433-L462 HydrophobicContact CG2-CD2 4.28Å
434	T	94.4	Very high	86.8	Confident	24 Å²	24	49.7 Å²	49.7	15%	0.147	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.2	-178.3	-48.7	0	0	0	0	109.5	P131 V396 T397	P131-T434 WeakPolarHBondContact CB-OG1 3.33Å; V396-T434 WeakPolarHBondContact CA-O 3.22Å; T397-T434 PolarHBondContact N-O 3.16Å; T397-T434 PolarHBondContact O-N 3.26Å; T397-T434 PolarHBondContact OG1-O 2.8Å
435	S	92.8	Very high	87.2	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	142.2	169.7	-178.3	0	0	0	0	110.6	S128 G129 N395 G437	S128-S435 CarbonylContact C-O 3.52Å; S128-S435 WeakPolarHBondContact CA-O 3.08Å; G129-S435 PolarHBondContact N-O 3.49Å; N395-S435 CarbonylContact O-C 2.9Å; N395-S435 WeakPolarHBondContact O-CA 3.31Å; S435-G437 PolarHBondContact OG-N 3.26Å; S435-G437 VanDerWaalsContact OG-N 3.16Å; S435-G437 PolarHBondContact OG-O 2.75Å
436	K	86.8	Confident	87.5	Confident	140 Å²	140	53.5 Å²	53.5	61%	0.609	30%	0.296	S	S	*	.	S	Bend	trans	-92.5	-9	170.6	-67.8	179.9	176	170.9	0	113	S128 N395	S128-K436 VanDerWaalsContact OG-C 3.25Å; S128-K436 PolarHBondContact OG-O 3.05Å; N395-K436 PolarHBondContact O-N 2.96Å
437	G	83.9	Confident	87.7	Confident	11 Å²	11	50 Å²	50	11%	0.113	28%	0.28	C	S	.	.	S	Bend	trans	161.3	-179.5	-175.4	0	0	0	0	0	111.5	S128 S435	S128-G437 PolarHBondContact OG-N 3.16Å; S435-G437 PolarHBondContact OG-N 3.26Å; S435-G437 VanDerWaalsContact OG-N 3.16Å; S435-G437 PolarHBondContact OG-O 2.75Å
438	C	85.6	Confident	87.8	Confident	23 Å²	23	53.9 Å²	53.9	16%	0.155	30%	0.296	C	S	.	.			trans	-81.4	141.5	-176.1	-78.4	0	0	0	0	113.6	N395 C466	N395-C438 PolarHBondContact ND2-O 2.92Å; C438-C466 HydrophobicContact CB-CB 3.88Å; C438-C466 WeakPolarHBondContact CB-SG 3.41Å; C438-C466 WeakPolarHBondContact SG-CA 3.47Å; C438-C466 WeakPolarHBondContact SG-CB 3.41Å; C438-C466 CovalentContact SG-SG 2.01Å; C438-C466 PolarHBondContact SG-SG 2.81Å
439	P	83.3	Confident	87.8	Confident	37 Å²	37	51.6 Å²	51.6	24%	0.24	29%	0.286	C	S	.	.			trans	-70.7	153	171.6	30.3	-34.3	0	0	0	111	N441 F464	P439-N441 PolarHBondContact O-N 3.04Å; P439-F464 VanDerWaalsContact CD-CG 3.48Å; P439-F464 HydrophobicContact CG-CB 4.47Å; P439-F464 HydrophobicContact CG-CD2 3.53Å; P439-F464 HydrophobicContact CG-CE2 3.77Å; P439-F464 HydrophobicContact CG-CG 3.93Å; P439-F464 HydrophobicContact CG-CZ 4.35Å
440	N	73.8	Confident	87.5	Confident	175 Å²	175	53.4 Å²	53.4	94%	0.936	29%	0.294	S	S	*	.	S	Bend	trans	-69.3	-18.3	177.6	-67.8	-11.2	0	0	0	113.3
441	N	70	Confident	87.2	Confident	103 Å²	103	50.8 Å²	50.8	55%	0.551	28%	0.28	S	S	*	.	S	Bend	trans	-109	136	179.2	-168.3	-2	0	0	0	109.2	P439 S443	P439-N441 PolarHBondContact O-N 3.04Å; N441-S443 VanDerWaalsContact C-N 3.29Å; N441-S443 PolarHBondContact ND2-OG 3.46Å; N441-S443 PolarHBondContact O-N 3.4Å; N441-S443 PolarHBondContact OD1-N 3.35Å
442	T	66.3	Low	86.7	Confident	149 Å²	149	51.7 Å²	51.7	91%	0.914	29%	0.285	S	S	*	.			trans	-79.5	-8	-176.9	44	0	0	0	0	113.6
443	S	76.6	Confident	85.8	Confident	63 Å²	63	51.2 Å²	51.2	44%	0.441	28%	0.282	S	S	.	.	S	Bend	trans	-70.7	139.8	176	59.6	0	0	0	0	112.2	N441	N441-S443 VanDerWaalsContact C-N 3.29Å; N441-S443 PolarHBondContact ND2-OG 3.46Å; N441-S443 PolarHBondContact O-N 3.4Å; N441-S443 PolarHBondContact OD1-N 3.35Å
444	P	82.4	Confident	85.1	Confident	68 Å²	68	52 Å²	52	44%	0.442	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-56.5	137.9	173.8	-21.3	31.2	0	0	0	112.2	I461 L462	P444-I461 HydrophobicContact CB-CG2 3.82Å; P444-L462 WeakPolarHBondContact CA-O 3.5Å; P444-L462 WeakPolarHBondContact CB-O 3.42Å
445	E	89.3	Confident	84.6	Confident	42 Å²	42	52 Å²	52	20%	0.196	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.4	173.1	-174.2	174.9	168.2	0	0	109.2	S393 L462 F464	S393-E445 WeakPolarHBondContact CB-OE1 3.28Å; S393-E445 WeakPolarHBondContact CB-OE2 3.42Å; S393-E445 PolarHBondContact N-OE1 2.91Å; S393-E445 PolarHBondContact OG-OE1 2.9Å; S393-E445 PolarHBondContact OG-OE2 2.89Å; E445-L462 HydrophobicContact CB-CB 4.3Å; E445-L462 PolarHBondContact N-O 3.03Å; E445-L462 WeakPolarHBondContact O-CB 3.38Å; E445-L462 PolarHBondContact O-N 2.7Å; E445-F464 HydrophobicContact CB-CE2 4.19Å
446	I	93.1	Very high	84.3	Confident	92 Å²	92	53.5 Å²	53.5	47%	0.472	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.8	178.7	-57.6	175.9	0	0	0	109	E459 I460	I446-E459 HydrophobicContact CG2-CG 3.71Å; I446-I460 WeakPolarHBondContact CA-O 3.49Å
447	I	94	Very high	84.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.8	174.7	-57.1	-179.2	0	0	0	108.4	N389 V392 V396 I398 I449 I460 L462	N389-I447 HydrophobicContact CB-CG2 4.39Å; V392-I447 HydrophobicContact CB-CD1 4.48Å; V392-I447 HydrophobicContact CG1-CD1 3.81Å; V392-I447 HydrophobicContact CG2-CD1 3.99Å; V392-I447 HydrophobicContact CG2-CG2 4.47Å; V396-I447 HydrophobicContact CG1-CD1 4.41Å; I398-I447 HydrophobicContact CD1-CD1 4.06Å; I398-I447 HydrophobicContact CD1-CG2 4.13Å; I447-I449 HydrophobicContact CG2-CG1 4.3Å; I447-I460 HydrophobicContact CB-CB 4.4Å; I447-I460 PolarHBondContact N-O 3.01Å; I447-I460 WeakPolarHBondContact O-CB 3.28Å; I447-I460 PolarHBondContact O-N 2.92Å; I447-L462 HydrophobicContact CD1-CD1 3.45Å; I447-L462 VanDerWaalsContact CD1-CD1 3.45Å; I447-L462 HydrophobicContact CD1-CG 4.26Å; I447-L462 HydrophobicContact CG1-CD1 4.09Å
448	K	94.8	Very high	85.1	Confident	82 Å²	82	49.6 Å²	49.6	36%	0.357	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.8	172.9	-62.5	170.7	166.6	-144.8	0	109.4	N389 T390 E457 V458	N389-K448 CarbonylContact C-O 3.59Å; N389-K448 VanDerWaalsContact CA-O 3.24Å; N389-K448 WeakPolarHBondContact CA-O 3.41Å; T390-K448 HydrophobicContact CG2-CB 3.83Å; T390-K448 HydrophobicContact CG2-CD 4.47Å; T390-K448 HydrophobicContact CG2-CG 4.48Å; T390-K448 PolarHBondContact N-O 3.18Å; T390-K448 PolarHBondContact OG1-N 3.17Å; K448-E457 VanDerWaalsContact CD-OE1 3.31Å; K448-E457 WeakPolarHBondContact CD-OE1 3.39Å; K448-E457 VanDerWaalsContact CE-OE1 3.22Å; K448-E457 WeakPolarHBondContact CE-OE1 3.19Å; K448-E457 IonicContact NZ-OE1 3.48Å; K448-E457 PolarHBondContact NZ-OE1 3.15Å; K448-E457 IonicContact NZ-OE2 3.94Å; K448-V458 WeakPolarHBondContact CA-O 3.34Å
449	I	95.1	Very high	85.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.6	175.1	-57.5	-173.3	0	0	0	108.3	L136 L387 E388 N389 Y400 I431 I447 E457 V458 I460	L136-I449 HydrophobicContact CD1-CG2 4.24Å; L387-I449 HydrophobicContact CB-CG2 4.2Å; L387-I449 HydrophobicContact CD1-CG2 4.24Å; L387-I449 HydrophobicContact CD2-CG2 4.46Å; E388-I449 CarbonylContact O-C 3.6Å; E388-I449 WeakPolarHBondContact O-CA 3.33Å; N389-I449 HydrophobicContact CB-CG1 3.91Å; Y400-I449 HydrophobicContact CE1-CD1 4.14Å; Y400-I449 HydrophobicContact CE1-CG2 4.42Å; I431-I449 HydrophobicContact CD1-CD1 3.86Å; I431-I449 HydrophobicContact CD1-CG2 4.3Å; I431-I449 HydrophobicContact CG2-CD1 3.9Å; I447-I449 HydrophobicContact CG2-CG1 4.3Å; I449-E457 CarbonylContact O-C 3.44Å; I449-E457 WeakPolarHBondContact O-CA 3.39Å; I449-V458 PolarHBondContact N-O 2.93Å; I449-V458 PolarHBondContact O-N 2.92Å; I449-I460 HydrophobicContact CD1-CD1 3.41Å; I449-I460 VanDerWaalsContact CD1-CD1 3.41Å; I449-I460 HydrophobicContact CG1-CD1 3.67Å
450	K	90.9	Very high	86.3	Confident	38 Å²	38	49.1 Å²	49.1	17%	0.165	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.2	180	65.7	175.3	-178.1	171.2	0	111.4	N333 E388 E457	N333-K450 PolarHBondContact OD1-NZ 3.39Å; E388-K450 PolarHBondContact N-O 2.99Å; E388-K450 PolarHBondContact O-N 3.19Å; K450-E457 HydrophobicContact CB-CB 3.88Å
451	P	89.8	Confident	87.3	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.4	166.4	16.3	-3.9	0	0	0	110	V117 F138 V385 I386 L387 G453 F454 E456	V117-P451 HydrophobicContact CG2-CG 3.84Å; F138-P451 HydrophobicContact CD2-CB 4.29Å; F138-P451 HydrophobicContact CD2-CG 3.78Å; F138-P451 HydrophobicContact CE2-CB 4.11Å; F138-P451 HydrophobicContact CE2-CG 3.69Å; V385-P451 HydrophobicContact CG1-CB 4.09Å; I386-P451 CarbonylContact O-C 3.15Å; I386-P451 WeakPolarHBondContact O-CA 3.24Å; L387-P451 HydrophobicContact CD2-CB 4.16Å; P451-G453 PolarHBondContact O-N 2.97Å; P451-F454 HydrophobicContact CB-CB 4.4Å; P451-F454 HydrophobicContact CB-CD2 3.88Å; P451-F454 HydrophobicContact CB-CG 4.45Å; P451-F454 HydrophobicContact CG-CB 3.95Å; P451-F454 HydrophobicContact CG-CD2 4.22Å; P451-F454 HydrophobicContact CG-CG 4.3Å; P451-F454 PolarHBondContact O-N 2.8Å; P451-F454 VanDerWaalsContact O-N 3.09Å; P451-E456 WeakPolarHBondContact CD-O 3.34Å
452	L	85.1	Confident	88.5	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.099	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	130.1	179	-74	179.4	0	0	0	111.6	P356 K357 I386 E388 F454	P356-L452 HydrophobicContact CB-CD1 4.26Å; K357-L452 WeakPolarHBondContact CE-O 3.4Å; K357-L452 HydrophobicContact CG-CB 3.68Å; I386-L452 HydrophobicContact CB-CD1 3.99Å; I386-L452 HydrophobicContact CB-CG 4.44Å; I386-L452 HydrophobicContact CG2-CD1 3.9Å; I386-L452 PolarHBondContact O-N 3.37Å; E388-L452 HydrophobicContact CB-CD2 3.74Å; E388-L452 HydrophobicContact CB-CG 4.05Å; E388-L452 HydrophobicContact CG-CD2 4.32Å; E388-L452 WeakPolarHBondContact OE2-CD2 3.41Å; L452-F454 VanDerWaalsContact C-N 3.35Å
453	G	79.1	Confident	89.8	Confident	7 Å²	7	33.5 Å²	33.5	7%	0.072	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	2.8	-178.7	0	0	0	0	0	114.9	Q335 P451	Q335-G453 PolarHBondContact NE2-O 3.02Å; P451-G453 PolarHBondContact O-N 2.97Å
454	F	81.3	Confident	90.5	Very high	16 Å²	16	32.2 Å²	32.2	7%	0.07	16%	0.16	C	C	.	.			trans	-118.3	155.9	174.6	-62.9	-91.4	0	0	0	110.8	F138 P451 L452	F138-F454 HydrophobicContact CE2-CD1 4.39Å; F138-F454 HydrophobicContact CE2-CD2 4.3Å; F138-F454 HydrophobicContact CE2-CE1 4.48Å; F138-F454 HydrophobicContact CE2-CE2 4.39Å; F138-F454 HydrophobicContact CE2-CG 4.3Å; F138-F454 HydrophobicContact CE2-CZ 4.48Å; F138-F454 HydrophobicContact CZ-CD1 4.36Å; F138-F454 HydrophobicContact CZ-CD2 4.22Å; F138-F454 HydrophobicContact CZ-CE1 4.01Å; F138-F454 AromaticContact CZ-CE2 3.84Å; F138-F454 HydrophobicContact CZ-CE2 3.84Å; F138-F454 HydrophobicContact CZ-CG 4.46Å; F138-F454 AromaticContact CZ-CZ 3.74Å; F138-F454 HydrophobicContact CZ-CZ 3.74Å; P451-F454 HydrophobicContact CB-CB 4.4Å; P451-F454 HydrophobicContact CB-CD2 3.88Å; P451-F454 HydrophobicContact CB-CG 4.45Å; P451-F454 HydrophobicContact CG-CB 3.95Å; P451-F454 HydrophobicContact CG-CD2 4.22Å; P451-F454 HydrophobicContact CG-CG 4.3Å; P451-F454 PolarHBondContact O-N 2.8Å; P451-F454 VanDerWaalsContact O-N 3.09Å; L452-F454 VanDerWaalsContact C-N 3.35Å
455	T	82.2	Confident	91	Very high	25 Å²	25	30 Å²	30	15%	0.153	15%	0.145	C	C	.	.	S	Bend	trans	-94.8	-21	-174.9	51.1	0	0	0	0	113.1	Y144 N272	Y144-T455 PolarHBondContact OH-OG1 3.1Å; N272-T455 PolarHBondContact O-OG1 3.43Å; N272-T455 VanDerWaalsContact OD1-CB 3.26Å; N272-T455 WeakPolarHBondContact OD1-CB 3.31Å; N272-T455 WeakPolarHBondContact OD1-CG2 3.27Å
456	E	86.8	Confident	91	Very high	33 Å²	33	29.8 Å²	29.8	15%	0.154	15%	0.147	C	C	.	.			trans	-73.6	141.1	175.3	-72.2	-177.1	-122.3	0	0	112.3	T115 Q116 V117 P451	T115-E456 WeakPolarHBondContact CA-OE1 3.41Å; T115-E456 WeakPolarHBondContact CA-OE2 3.38Å; Q116-E456 WeakPolarHBondContact CB-OE1 3.44Å; Q116-E456 WeakPolarHBondContact CG-OE1 3.39Å; Q116-E456 PolarHBondContact N-OE1 3.41Å; Q116-E456 PolarHBondContact N-OE2 3.1Å; V117-E456 HydrophobicContact CB-CB 4.18Å; V117-E456 HydrophobicContact CG2-CB 3.81Å; V117-E456 PolarHBondContact N-OE2 3.19Å; P451-E456 WeakPolarHBondContact CD-O 3.34Å
457	E	92.3	Very high	90.9	Very high	69 Å²	69	29 Å²	29	32%	0.322	14%	0.141	S	C	.	.			trans	-139.9	159.2	-178	65.7	-177.5	-160	0	0	111.4	K448 I449 K450	K448-E457 VanDerWaalsContact CD-OE1 3.31Å; K448-E457 WeakPolarHBondContact CD-OE1 3.39Å; K448-E457 VanDerWaalsContact CE-OE1 3.22Å; K448-E457 WeakPolarHBondContact CE-OE1 3.19Å; K448-E457 IonicContact NZ-OE1 3.48Å; K448-E457 PolarHBondContact NZ-OE1 3.15Å; K448-E457 IonicContact NZ-OE2 3.94Å; I449-E457 CarbonylContact O-C 3.44Å; I449-E457 WeakPolarHBondContact O-CA 3.39Å; K450-E457 HydrophobicContact CB-CB 3.88Å
458	V	95.9	Very high	90.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.4	168.7	-171.6	0	0	0	0	108.6	V117 P119 V122 F134 L136 K448 I449 I460	V117-V458 HydrophobicContact CG1-CG2 3.3Å; P119-V458 WeakPolarHBondContact O-CG1 3.31Å; P119-V458 WeakPolarHBondContact O-CG2 3.43Å; V122-V458 HydrophobicContact CG2-CG1 4.23Å; F134-V458 HydrophobicContact CE2-CG1 4.16Å; F134-V458 HydrophobicContact CZ-CG1 4.48Å; L136-V458 HydrophobicContact CD1-CB 4.35Å; L136-V458 HydrophobicContact CD1-CG2 3.41Å; L136-V458 VanDerWaalsContact CD1-CG2 3.41Å; L136-V458 HydrophobicContact CG-CG2 4.01Å; K448-V458 WeakPolarHBondContact CA-O 3.34Å; I449-V458 PolarHBondContact N-O 2.93Å; I449-V458 PolarHBondContact O-N 2.92Å; V458-I460 HydrophobicContact CG1-CG1 4.11Å
459	E	97	Very high	90.5	Very high	50 Å²	50	30.7 Å²	30.7	23%	0.234	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124.4	172.3	-170	-166.6	153.9	0	0	109.8	Q120 K121 V122 I446	Q120-E459 PolarHBondContact O-N 2.96Å; K121-E459 CarbonylContact C-O 3.56Å; K121-E459 VanDerWaalsContact CA-O 3.27Å; K121-E459 WeakPolarHBondContact CA-O 3.07Å; K121-E459 WeakPolarHBondContact CE-OE1 3.2Å; K121-E459 WeakPolarHBondContact CE-OE2 3.37Å; K121-E459 HydrophobicContact CG-CB 4.27Å; K121-E459 IonicContact NZ-OE1 3.87Å; K121-E459 PolarHBondContact NZ-OE1 2.88Å; K121-E459 IonicContact NZ-OE2 2.75Å; K121-E459 PolarHBondContact NZ-OE2 3.21Å; V122-E459 PolarHBondContact N-O 3.5Å; I446-E459 HydrophobicContact CG2-CG 3.71Å
460	I	96.9	Very high	90.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.7	-176.6	-50.6	165.3	0	0	0	108.1	V122 L124 F134 I433 I446 I447 I449 V458 L462	V122-I460 CarbonylContact O-C 3.56Å; V122-I460 WeakPolarHBondContact O-CA 3.41Å; L124-I460 HydrophobicContact CD1-CG2 3.8Å; L124-I460 HydrophobicContact CG-CG2 4Å; F134-I460 HydrophobicContact CE1-CD1 3.76Å; F134-I460 HydrophobicContact CE1-CG1 4.31Å; F134-I460 HydrophobicContact CZ-CD1 3.52Å; F134-I460 HydrophobicContact CZ-CG1 4.03Å; I433-I460 HydrophobicContact CD1-CD1 4.03Å; I433-I460 HydrophobicContact CD1-CG2 4.13Å; I446-I460 WeakPolarHBondContact CA-O 3.49Å; I447-I460 HydrophobicContact CB-CB 4.4Å; I447-I460 PolarHBondContact N-O 3.01Å; I447-I460 WeakPolarHBondContact O-CB 3.28Å; I447-I460 PolarHBondContact O-N 2.92Å; I449-I460 HydrophobicContact CD1-CD1 3.41Å; I449-I460 VanDerWaalsContact CD1-CD1 3.41Å; I449-I460 HydrophobicContact CG1-CD1 3.67Å; V458-I460 HydrophobicContact CG1-CG1 4.11Å; I460-L462 HydrophobicContact CG2-CD2 3.76Å
461	I	95.8	Very high	90.2	Very high	29 Å²	29	32.9 Å²	32.9	15%	0.149	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.7	176.1	-56	174.5	0	0	0	108.2	L89 V122 S123 L124 P444 H463	L89-I461 HydrophobicContact CD1-CD1 4.15Å; V122-I461 PolarHBondContact O-N 2.97Å; S123-I461 CarbonylContact C-O 3.58Å; S123-I461 WeakPolarHBondContact CA-O 3.45Å; L124-I461 PolarHBondContact N-O 2.78Å; P444-I461 HydrophobicContact CB-CG2 3.82Å; I461-H463 WeakPolarHBondContact CG2-NE2 3.45Å
462	L	94.2	Very high	90	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.4	177.5	-56	-172.2	0	0	0	110.8	L124 L126 V396 I433 P444 E445 I447 I460 F464	L124-L462 HydrophobicContact CB-CD2 3.93Å; L124-L462 HydrophobicContact CD1-CD2 4.04Å; L124-L462 HydrophobicContact CG-CD2 4.37Å; L124-L462 WeakPolarHBondContact O-CA 3.45Å; L126-L462 HydrophobicContact CD1-CB 4.49Å; L126-L462 HydrophobicContact CD1-CD1 4.11Å; L126-L462 HydrophobicContact CD1-CD2 4.04Å; L126-L462 HydrophobicContact CD1-CG 4.46Å; V396-L462 HydrophobicContact CG1-CD1 4.08Å; V396-L462 HydrophobicContact CG2-CD1 4.19Å; I433-L462 HydrophobicContact CD1-CD2 4.42Å; I433-L462 HydrophobicContact CG2-CD1 4.35Å; I433-L462 HydrophobicContact CG2-CD2 4.28Å; P444-L462 WeakPolarHBondContact CA-O 3.5Å; P444-L462 WeakPolarHBondContact CB-O 3.42Å; E445-L462 HydrophobicContact CB-CB 4.3Å; E445-L462 PolarHBondContact N-O 3.03Å; E445-L462 WeakPolarHBondContact O-CB 3.38Å; E445-L462 PolarHBondContact O-N 2.7Å; I447-L462 HydrophobicContact CD1-CD1 3.45Å; I447-L462 VanDerWaalsContact CD1-CD1 3.45Å; I447-L462 HydrophobicContact CD1-CG 4.26Å; I447-L462 HydrophobicContact CG1-CD1 4.09Å; I460-L462 HydrophobicContact CG2-CD2 3.76Å; L462-F464 HydrophobicContact CB-CE2 4.03Å; L462-F464 HydrophobicContact CB-CZ 4.12Å; L462-F464 HydrophobicContact CD1-CZ 4.26Å
463	H	93.5	Very high	90.2	Very high	69 Å²	69	44.6 Å²	44.6	32%	0.319	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.1	166.3	-57.8	-80.4	0	0	0	108.6	S123 L124 T125 L126 I461	S123-H463 PolarHBondContact OG-CD2 3.21Å; S123-H463 VanDerWaalsContact OG-CD2 3.27Å; S123-H463 PolarHBondContact OG-NE2 3.21Å; L124-H463 PolarHBondContact O-N 2.83Å; T125-H463 CarbonylContact C-O 3.52Å; T125-H463 WeakPolarHBondContact CA-O 3.48Å; T125-H463 HydrophobicContact CG2-CB 4.42Å; L126-H463 PolarHBondContact N-O 3.36Å; I461-H463 WeakPolarHBondContact CG2-NE2 3.45Å
464	F	91.7	Very high	90.7	Very high	36 Å²	36	45.7 Å²	45.7	16%	0.158	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.2	-177.4	-61.3	-91.4	0	0	0	110	L126 V396 P439 E445 L462	L126-F464 HydrophobicContact CB-CD1 4.38Å; L126-F464 HydrophobicContact CD1-CE1 4.08Å; V396-F464 HydrophobicContact CG2-CE1 3.66Å; V396-F464 HydrophobicContact CG2-CZ 3.71Å; P439-F464 VanDerWaalsContact CD-CG 3.48Å; P439-F464 HydrophobicContact CG-CB 4.47Å; P439-F464 HydrophobicContact CG-CD2 3.53Å; P439-F464 HydrophobicContact CG-CE2 3.77Å; P439-F464 HydrophobicContact CG-CG 3.93Å; P439-F464 HydrophobicContact CG-CZ 4.35Å; E445-F464 HydrophobicContact CB-CE2 4.19Å; L462-F464 HydrophobicContact CB-CE2 4.03Å; L462-F464 HydrophobicContact CB-CZ 4.12Å; L462-F464 HydrophobicContact CD1-CZ 4.26Å
465	I	91.7	Very high	91.3	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108.1	173.3	-56.8	173.8	0	0	0	107.6	I38 P82 L83 T125 L126 R127	I38-I465 HydrophobicContact CD1-CG2 3.89Å; P82-I465 HydrophobicContact CB-CD1 4.42Å; P82-I465 HydrophobicContact CB-CG2 3.85Å; P82-I465 HydrophobicContact CG-CG2 3.71Å; L83-I465 WeakPolarHBondContact O-CD1 3.22Å; T125-I465 HydrophobicContact CG2-CD1 3.71Å; T125-I465 HydrophobicContact CG2-CG1 3.51Å; L126-I465 PolarHBondContact O-N 2.87Å; R127-I465 HydrophobicContact CB-CD1 4.29Å
466	C	89.8	Confident	91.7	Very high	36 Å²	36	52.9 Å²	52.9	24%	0.243	28%	0.282	C	S	.	.			trans	-112.4	-24.7	-176	-56.6	0	0	0	0	113.7	G35 Q39 C438	G35-C466 VanDerWaalsContact CA-O 3.26Å; G35-C466 WeakPolarHBondContact CA-O 3.49Å; Q39-C466 PolarHBondContact NE2-O 2.96Å; C438-C466 HydrophobicContact CB-CB 3.88Å; C438-C466 WeakPolarHBondContact CB-SG 3.41Å; C438-C466 WeakPolarHBondContact SG-CA 3.47Å; C438-C466 WeakPolarHBondContact SG-CB 3.41Å; C438-C466 CovalentContact SG-SG 2.01Å; C438-C466 PolarHBondContact SG-SG 2.81Å
467	E	90.8	Very high	91.8	Very high	75 Å²	75	55.5 Å²	55.5	35%	0.35	30%	0.297	S	S	.	.	S	Bend	trans	-128	160.3	-179.9	-65.5	-63.5	168.8	0	0	109.2	G35 I38 H471	G35-E467 WeakPolarHBondContact CA-OE2 3.32Å; I38-E467 VanDerWaalsContact CD1-C 3.43Å; I38-E467 WeakPolarHBondContact CD1-O 3.49Å; E467-H471 HydrophobicContact CB-CB 4.05Å
468	C	91.6	Very high	91.8	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.034	29%	0.285	C	S	.	.			trans	-81.4	162.4	175.4	-59	0	0	0	0	111.4	C34 I38 E80 C470 H471	C34-C468 HydrophobicContact CB-CB 3.82Å; C34-C468 WeakPolarHBondContact CB-SG 3.48Å; C34-C468 PolarHBondContact O-SG 3.19Å; C34-C468 WeakPolarHBondContact SG-CB 3.48Å; C34-C468 CovalentContact SG-SG 2.01Å; C34-C468 PolarHBondContact SG-SG 3.36Å; I38-C468 VanDerWaalsContact CG2-SG 3.6Å; E80-C468 HydrophobicContact CB-CB 4.13Å; E80-C468 HydrophobicContact CG-CB 4.23Å; C468-C470 VanDerWaalsContact C-N 3.32Å; C468-C470 VanDerWaalsContact CB-SG 3.57Å; C468-C470 PolarHBondContact O-N 3.06Å; C468-H471 WeakPolarHBondContact O-CB 3.46Å; C468-H471 PolarHBondContact O-N 2.71Å
469	D	89.3	Confident	91.5	Very high	114 Å²	114	59 Å²	59	61%	0.61	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-66.3	-38.8	-175.8	-69.6	-26.4	0	0	0	111	E80 H471 S472	E80-D469 PolarHBondContact OE2-N 3.09Å; D469-H471 PolarHBondContact O-N 3.46Å; D469-S472 PolarHBondContact O-N 3.32Å; D469-S472 VanDerWaalsContact O-N 3.1Å; D469-S472 PolarHBondContact O-OG 2.85Å
470	C	89.9	Confident	91.2	Very high	15 Å²	15	60 Å²	60	10%	0.101	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57.7	-16.4	172.1	55.9	0	0	0	0	115.3	E80 C468 S472 E473 C490	E80-C470 HydrophobicContact CG-CB 4.33Å; E80-C470 WeakPolarHBondContact CG-SG 3.21Å; E80-C470 VanDerWaalsContact OE1-CB 3.27Å; E80-C470 WeakPolarHBondContact OE1-CB 3.44Å; E80-C470 PolarHBondContact OE1-N 3.37Å; E80-C470 PolarHBondContact OE1-SG 3.45Å; C468-C470 VanDerWaalsContact C-N 3.32Å; C468-C470 VanDerWaalsContact CB-SG 3.57Å; C468-C470 PolarHBondContact O-N 3.06Å; C470-S472 PolarHBondContact O-N 2.76Å; C470-E473 PolarHBondContact O-N 3.46Å; C470-C490 HydrophobicContact CB-CB 4.04Å; C470-C490 WeakPolarHBondContact CB-SG 3.45Å; C470-C490 WeakPolarHBondContact SG-CB 3.28Å; C470-C490 CovalentContact SG-SG 2.02Å; C470-C490 PolarHBondContact SG-SG 3.11Å
471	H	88.8	Confident	91	Very high	68 Å²	68	60 Å²	60	32%	0.315	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-64.8	-30.8	175.5	179.7	67.2	0	0	0	111.2	E467 C468 D469 E473 A474 E489 C490	E467-H471 HydrophobicContact CB-CB 4.05Å; C468-H471 WeakPolarHBondContact O-CB 3.46Å; C468-H471 PolarHBondContact O-N 2.71Å; D469-H471 PolarHBondContact O-N 3.46Å; H471-E473 PolarHBondContact O-N 3.24Å; H471-A474 WeakPolarHBondContact O-CB 3.45Å; H471-A474 PolarHBondContact O-N 3.43Å; H471-A474 VanDerWaalsContact O-N 3.14Å; H471-E489 IonicContact CE1-OE2 2.72Å; H471-E489 PolarHBondContact CE1-OE2 2.92Å; H471-E489 VanDerWaalsContact CE1-OE2 3.25Å; H471-E489 IonicContact CG-OE2 3.64Å; H471-E489 IonicContact ND1-OE2 3.96Å; H471-E489 PolarHBondContact ND1-OE2 2.9Å; H471-C490 PolarHBondContact N-SG 3.48Å
472	S	87.4	Confident	90.7	Very high	107 Å²	107	60 Å²	60	75%	0.748	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-66.4	-21.4	177.7	66.3	0	0	0	0	113.5	D469 C470	D469-S472 PolarHBondContact O-N 3.32Å; D469-S472 VanDerWaalsContact O-N 3.1Å; D469-S472 PolarHBondContact O-OG 2.85Å; C470-S472 PolarHBondContact O-N 2.76Å
473	E	89.1	Confident	90.3	Very high	160 Å²	160	66.1 Å²	66.1	75%	0.748	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-94.3	9.2	177.5	-56.7	-172.7	168.2	0	0	112.8	C470 H471 V475	C470-E473 PolarHBondContact O-N 3.46Å; H471-E473 PolarHBondContact O-N 3.24Å; E473-V475 PolarHBondContact O-N 3.12Å
474	A	89.7	Confident	90.1	Very high	29 Å²	29	63.3 Å²	63.3	24%	0.24	35%	0.349	C	S	.	.			trans	-58.5	130.1	-177.4	0	0	0	0	0	112.4	H471 T487 Y488 E489	H471-A474 WeakPolarHBondContact O-CB 3.45Å; H471-A474 PolarHBondContact O-N 3.43Å; H471-A474 VanDerWaalsContact O-N 3.14Å; A474-T487 HydrophobicContact CB-CG2 3.89Å; A474-Y488 WeakPolarHBondContact CA-O 3.42Å; A474-E489 HydrophobicContact CB-CB 3.76Å
475	V	92	Very high	90.1	Very high	78 Å²	78	63.4 Å²	63.4	47%	0.473	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-97.8	99.7	177.6	-175.9	0	0	0	0	108.9	E473 S478 T487 Y488	E473-V475 PolarHBondContact O-N 3.12Å; V475-S478 WeakPolarHBondContact O-CB 3.5Å; V475-S478 PolarHBondContact O-N 2.85Å; V475-T487 WeakPolarHBondContact O-CA 3.14Å; V475-Y488 PolarHBondContact N-O 2.89Å; V475-Y488 PolarHBondContact O-N 2.98Å
476	N	90.9	Very high	90.1	Very high	114 Å²	114	62.3 Å²	62.3	61%	0.61	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	139.1	173.9	-76.3	-31.5	0	0	0	111.1	S478 T487	N476-S478 VanDerWaalsContact C-N 3.28Å; N476-S478 PolarHBondContact O-N 3.06Å; N476-T487 VanDerWaalsContact OD1-CG2 3.26Å; N476-T487 WeakPolarHBondContact OD1-CG2 2.96Å; N476-T487 PolarHBondContact OD1-OG1 2.84Å
477	N	89.8	Confident	90.2	Very high	88 Å²	88	61.7 Å²	61.7	47%	0.471	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	45.7	-175.7	-53	-49.2	0	0	0	112.2	G486 K496	N477-G486 CarbonylContact C-O 2.9Å; N477-G486 VanDerWaalsContact CA-O 3.27Å; N477-G486 WeakPolarHBondContact CA-O 3.49Å; N477-G486 PolarHBondContact N-O 2.89Å; N477-K496 WeakPolarHBondContact OD1-CE 3.39Å; N477-K496 PolarHBondContact OD1-NZ 3.47Å
478	S	91.5	Very high	90.3	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.063	34%	0.336	C	S	.	.			trans	-62.2	143.1	-177.6	-179.8	0	0	0	0	111.8	V475 N476 V480 C481 G484 G486 Y488	V475-S478 WeakPolarHBondContact O-CB 3.5Å; V475-S478 PolarHBondContact O-N 2.85Å; N476-S478 VanDerWaalsContact C-N 3.28Å; N476-S478 PolarHBondContact O-N 3.06Å; S478-V480 PolarHBondContact O-N 3.35Å; S478-V480 PolarHBondContact OG-N 3.41Å; S478-C481 PolarHBondContact O-N 3.02Å; S478-G484 PolarHBondContact O-N 2.8Å; S478-G486 PolarHBondContact N-O 3.2Å; S478-G486 VanDerWaalsContact N-O 3.09Å; S478-Y488 VanDerWaalsContact CB-CB 3.47Å; S478-Y488 WeakPolarHBondContact OG-CB 3.33Å
479	Q	90.8	Very high	90.3	Very high	133 Å²	133	61.6 Å²	61.6	62%	0.621	34%	0.337	S	S	*	.	S	Bend	trans	-64.3	-33.7	173	-63.3	-62.4	-21.3	0	0	111.7	C481 S482 N483	Q479-C481 VanDerWaalsContact C-N 3.27Å; Q479-C481 PolarHBondContact O-N 3.21Å; Q479-S482 PolarHBondContact O-N 2.93Å; Q479-N483 PolarHBondContact O-N 3.26Å; Q479-N483 PolarHBondContact OE1-OD1 3.47Å
480	V	89.9	Confident	90.4	Very high	73 Å²	73	56.7 Å²	56.7	44%	0.442	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.3	177.6	-176.6	0	0	0	0	111.4	S478 S482 Y488	S478-V480 PolarHBondContact O-N 3.35Å; S478-V480 PolarHBondContact OG-N 3.41Å; V480-S482 PolarHBondContact O-N 3.11Å; V480-Y488 HydrophobicContact CB-CD2 4.47Å; V480-Y488 HydrophobicContact CG1-CD2 4.25Å; V480-Y488 HydrophobicContact CG1-CE2 4.25Å
481	C	91.9	Very high	90.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	56.8	176.2	-52.3	0	0	0	0	110.8	S478 Q479 N485 C493 E503	S478-C481 PolarHBondContact O-N 3.02Å; Q479-C481 VanDerWaalsContact C-N 3.27Å; Q479-C481 PolarHBondContact O-N 3.21Å; C481-N485 PolarHBondContact O-N 3.48Å; C481-C493 WeakPolarHBondContact CA-SG 3.38Å; C481-C493 HydrophobicContact CB-CB 3.84Å; C481-C493 WeakPolarHBondContact CB-SG 3.37Å; C481-C493 VanDerWaalsContact SG-CA 3.57Å; C481-C493 WeakPolarHBondContact SG-CB 3.27Å; C481-C493 CovalentContact SG-SG 2.04Å; C481-C493 PolarHBondContact SG-SG 3.37Å; C481-E503 CarbonylContact C-O 3.59Å; C481-E503 WeakPolarHBondContact CA-O 3.35Å
482	S	89.8	Confident	90.6	Very high	27 Å²	27	53.7 Å²	53.7	19%	0.189	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	54.6	177.9	-61.8	0	0	0	0	114.4	Q479 V480 G484 N485 E503 E505	Q479-S482 PolarHBondContact O-N 2.93Å; V480-S482 PolarHBondContact O-N 3.11Å; S482-G484 VanDerWaalsContact C-N 3.33Å; S482-G484 PolarHBondContact O-N 3.1Å; S482-N485 PolarHBondContact O-ND2 2.76Å; S482-E503 VanDerWaalsContact CB-O 3.31Å; S482-E503 WeakPolarHBondContact CB-O 3.32Å; S482-E503 PolarHBondContact N-O 3.24Å; S482-E503 VanDerWaalsContact N-O 3.1Å; S482-E503 PolarHBondContact OG-O 3.04Å; S482-E505 WeakPolarHBondContact OG-CA 3.45Å; S482-E505 WeakPolarHBondContact OG-CB 2.98Å; S482-E505 PolarHBondContact OG-N 3.49Å
483	N	86.9	Confident	90.7	Very high	130 Å²	130	49.4 Å²	49.4	70%	0.695	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	39.8	176.4	-54.2	-58	0	0	0	114.2	Q479	Q479-N483 PolarHBondContact O-N 3.26Å; Q479-N483 PolarHBondContact OE1-OD1 3.47Å
484	G	88.1	Confident	90.8	Very high	10 Å²	10	46.9 Å²	46.9	10%	0.103	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.2	15.5	172.5	0	0	0	0	0	116.4	S478 S482 G486 K496	S478-G484 PolarHBondContact O-N 2.8Å; S482-G484 VanDerWaalsContact C-N 3.33Å; S482-G484 PolarHBondContact O-N 3.1Å; G484-G486 VanDerWaalsContact C-N 3.3Å; G484-K496 WeakPolarHBondContact O-CE 3.3Å; G484-K496 PolarHBondContact O-NZ 3.11Å
485	N	91.4	Very high	90.8	Very high	37 Å²	37	47.3 Å²	47.3	20%	0.198	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.8	177.1	-69.2	-38.5	0	0	0	114	C481 S482 K496 R499 C504	C481-N485 PolarHBondContact O-N 3.48Å; S482-N485 PolarHBondContact O-ND2 2.76Å; N485-K496 WeakPolarHBondContact O-CB 2.99Å; N485-K496 WeakPolarHBondContact O-CG 3.47Å; N485-K496 PolarHBondContact O-N 2.89Å; N485-R499 HydrophobicContact CB-CG 4.15Å; N485-R499 PolarHBondContact ND2-NH1 2.84Å; N485-R499 VanDerWaalsContact ND2-NH1 3.15Å; N485-R499 PolarHBondContact ND2-NH2 2.84Å; N485-R499 PolarHBondContact OD1-NH2 2.8Å; N485-C504 HydrophobicContact CB-CB 4.03Å
486	G	91.8	Very high	90.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	179	175.8	0	0	0	0	0	113	N477 S478 G484 R494	N477-G486 CarbonylContact C-O 2.9Å; N477-G486 VanDerWaalsContact CA-O 3.27Å; N477-G486 WeakPolarHBondContact CA-O 3.49Å; N477-G486 PolarHBondContact N-O 2.89Å; S478-G486 PolarHBondContact N-O 3.2Å; S478-G486 VanDerWaalsContact N-O 3.09Å; G484-G486 VanDerWaalsContact C-N 3.3Å; G486-R494 CarbonylContact C-O 2.96Å; G486-R494 VanDerWaalsContact CA-O 3.22Å; G486-R494 WeakPolarHBondContact CA-O 3.48Å
487	T	92.8	Very high	90.5	Very high	24 Å²	24	52.4 Å²	52.4	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130	170.4	-65.9	0	0	0	0	108.2	A474 V475 N476 R494	A474-T487 HydrophobicContact CB-CG2 3.89Å; V475-T487 WeakPolarHBondContact O-CA 3.14Å; N476-T487 VanDerWaalsContact OD1-CG2 3.26Å; N476-T487 WeakPolarHBondContact OD1-CG2 2.96Å; N476-T487 PolarHBondContact OD1-OG1 2.84Å; T487-R494 PolarHBondContact N-O 2.78Å; T487-R494 PolarHBondContact O-N 2.74Å
488	Y	92.6	Very high	90.3	Very high	64 Å²	64	49.7 Å²	49.7	25%	0.251	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.5	174.2	-173.8	-104.1	0	0	0	109	A474 V475 S478 V480	A474-Y488 WeakPolarHBondContact CA-O 3.42Å; V475-Y488 PolarHBondContact N-O 2.89Å; V475-Y488 PolarHBondContact O-N 2.98Å; S478-Y488 VanDerWaalsContact CB-CB 3.47Å; S478-Y488 WeakPolarHBondContact OG-CB 3.33Å; V480-Y488 HydrophobicContact CB-CD2 4.47Å; V480-Y488 HydrophobicContact CG1-CD2 4.25Å; V480-Y488 HydrophobicContact CG1-CE2 4.25Å
489	E	92.2	Very high	90.1	Very high	13 Å²	13	53.2 Å²	53.2	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	140.3	-179.5	66.7	-176.4	177.4	0	0	110.7	H471 A474 G491 A492 R494	H471-E489 IonicContact CE1-OE2 2.72Å; H471-E489 PolarHBondContact CE1-OE2 2.92Å; H471-E489 VanDerWaalsContact CE1-OE2 3.25Å; H471-E489 IonicContact CG-OE2 3.64Å; H471-E489 IonicContact ND1-OE2 3.96Å; H471-E489 PolarHBondContact ND1-OE2 2.9Å; A474-E489 HydrophobicContact CB-CB 3.76Å; E489-G491 PolarHBondContact O-N 2.68Å; E489-A492 PolarHBondContact N-O 3.19Å; E489-A492 PolarHBondContact O-N 2.78Å; E489-R494 WeakPolarHBondContact OE1-CD 3.35Å; E489-R494 IonicContact OE1-NH1 2.75Å
490	C	92	Very high	89.7	Confident	11 Å²	11	49 Å²	49	7%	0.074	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.6	171.2	-55.5	0	0	0	0	114.7	C34 W46 T48 C470 H471 A492	C34-C490 HydrophobicContact CB-CB 3.92Å; W46-C490 PolarHBondContact NE1-O 2.89Å; T48-C490 HydrophobicContact CG2-CB 4.09Å; C470-C490 HydrophobicContact CB-CB 4.04Å; C470-C490 WeakPolarHBondContact CB-SG 3.45Å; C470-C490 WeakPolarHBondContact SG-CB 3.28Å; C470-C490 CovalentContact SG-SG 2.02Å; C470-C490 PolarHBondContact SG-SG 3.11Å; H471-C490 PolarHBondContact N-SG 3.48Å; C490-A492 PolarHBondContact O-N 3.04Å
491	G	90.1	Very high	89.3	Confident	9 Å²	9	46.3 Å²	46.3	9%	0.093	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	2.1	178.4	0	0	0	0	0	116.1	T48 R62 E489	T48-G491 WeakPolarHBondContact O-CA 3.34Å; R62-G491 PolarHBondContact NH2-O 3.36Å; E489-G491 PolarHBondContact O-N 2.68Å
492	A	90.9	Very high	88.8	Confident	12 Å²	12	50.5 Å²	50.5	10%	0.099	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	156.9	-177.8	0	0	0	0	0	112.7	W46 V59 E489 C490	W46-A492 HydrophobicContact CZ2-CB 4.31Å; V59-A492 HydrophobicContact CG1-CB 4.21Å; E489-A492 PolarHBondContact N-O 3.19Å; E489-A492 PolarHBondContact O-N 2.78Å; C490-A492 PolarHBondContact O-N 3.04Å
493	C	91.1	Very high	88.8	Confident	16 Å²	16	54.3 Å²	54.3	11%	0.108	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.8	172.6	-72.8	0	0	0	0	111.6	C481 R502	C481-C493 WeakPolarHBondContact CA-SG 3.38Å; C481-C493 HydrophobicContact CB-CB 3.84Å; C481-C493 WeakPolarHBondContact CB-SG 3.37Å; C481-C493 VanDerWaalsContact SG-CA 3.57Å; C481-C493 WeakPolarHBondContact SG-CB 3.27Å; C481-C493 CovalentContact SG-SG 2.04Å; C481-C493 PolarHBondContact SG-SG 3.37Å; C493-R502 WeakPolarHBondContact CB-O 3.47Å
494	R	91	Very high	88.9	Confident	107 Å²	107	48.1 Å²	48.1	40%	0.404	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	101.7	165	-177.9	163.9	-176.4	-176.8	3.9	109.3	H33 G486 T487 E489	H33-R494 VanDerWaalsContact CE1-CG 3.45Å; H33-R494 WeakPolarHBondContact CE1-CG 3.14Å; G486-R494 CarbonylContact C-O 2.96Å; G486-R494 VanDerWaalsContact CA-O 3.22Å; G486-R494 WeakPolarHBondContact CA-O 3.48Å; T487-R494 PolarHBondContact N-O 2.78Å; T487-R494 PolarHBondContact O-N 2.74Å; E489-R494 WeakPolarHBondContact OE1-CD 3.35Å; E489-R494 IonicContact OE1-NH1 2.75Å
495	C	89.7	Confident	88.8	Confident	38 Å²	38	51.4 Å²	51.4	26%	0.257	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	144.3	-175.8	-56.4	0	0	0	0	112.7	R499 C504	C495-R499 HydrophobicContact CB-CB 3.97Å; C495-R499 WeakPolarHBondContact CB-O 3.09Å; C495-C504 WeakPolarHBondContact CA-SG 3.44Å; C495-C504 HydrophobicContact CB-CB 3.73Å; C495-C504 WeakPolarHBondContact CB-SG 3.35Å; C495-C504 WeakPolarHBondContact SG-CA 3.49Å; C495-C504 WeakPolarHBondContact SG-CB 3.49Å; C495-C504 CovalentContact SG-SG 2.03Å; C495-C504 PolarHBondContact SG-SG 3.46Å
496	K	89.8	Confident	88.4	Confident	95 Å²	95	50.6 Å²	50.6	41%	0.413	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-64.8	160	169.5	-71	174.6	178.8	169.2	0	110.3	N477 G484 N485 G498 R499	N477-K496 WeakPolarHBondContact OD1-CE 3.39Å; N477-K496 PolarHBondContact OD1-NZ 3.47Å; G484-K496 WeakPolarHBondContact O-CE 3.3Å; G484-K496 PolarHBondContact O-NZ 3.11Å; N485-K496 WeakPolarHBondContact O-CB 2.99Å; N485-K496 WeakPolarHBondContact O-CG 3.47Å; N485-K496 PolarHBondContact O-N 2.89Å; K496-G498 PolarHBondContact O-N 3.31Å; K496-R499 WeakPolarHBondContact O-CB 3.42Å; K496-R499 PolarHBondContact O-N 3.29Å
497	E	87	Confident	88	Confident	204 Å²	204	52 Å²	52	95%	0.953	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	131.9	174.4	-166.7	173.8	-174.8	0	0	110.8
498	G	84.2	Confident	87	Confident	31 Å²	31	53.1 Å²	53.1	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	4.9	-176	0	0	0	0	0	115.6	K496 S507 S508	K496-G498 PolarHBondContact O-N 3.31Å; G498-S507 CarbonylContact O-C 3.59Å; G498-S507 WeakPolarHBondContact O-CA 2.92Å; G498-S508 VanDerWaalsContact CA-OG 3.28Å; G498-S508 WeakPolarHBondContact CA-OG 3.41Å; G498-S508 PolarHBondContact O-N 2.88Å; G498-S508 PolarHBondContact O-OG 2.91Å
499	R	87.7	Confident	85.8	Confident	84 Å²	84	57.1 Å²	57.1	32%	0.317	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.6	175.7	-65.1	-69.6	-166.8	150.1	-1.2	111.4	N485 C495 K496 C504 C506	N485-R499 HydrophobicContact CB-CG 4.15Å; N485-R499 PolarHBondContact ND2-NH1 2.84Å; N485-R499 VanDerWaalsContact ND2-NH1 3.15Å; N485-R499 PolarHBondContact ND2-NH2 2.84Å; N485-R499 PolarHBondContact OD1-NH2 2.8Å; C495-R499 HydrophobicContact CB-CB 3.97Å; C495-R499 WeakPolarHBondContact CB-O 3.09Å; K496-R499 WeakPolarHBondContact O-CB 3.42Å; K496-R499 PolarHBondContact O-N 3.29Å; R499-C504 HydrophobicContact CB-CB 4.19Å; R499-C506 WeakPolarHBondContact CA-O 3.31Å; R499-C506 WeakPolarHBondContact CD-O 3.03Å
500	V	83.3	Confident	84.3	Confident	43 Å²	43	61.9 Å²	61.9	26%	0.261	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	164.3	-179.3	-61.2	0	0	0	0	110.7	C504 E505 C506 V511 V536	V500-C504 CarbonylContact O-C 3.6Å; V500-E505 PolarHBondContact O-N 3.47Å; V500-C506 HydrophobicContact CG2-CB 3.98Å; V500-C506 PolarHBondContact N-O 3.47Å; V500-C506 PolarHBondContact O-N 3.04Å; V500-C506 VanDerWaalsContact O-N 3.09Å; V500-V511 HydrophobicContact CG2-CG2 3.75Å; V500-V536 HydrophobicContact CB-CG1 4.43Å
501	G	80.6	Confident	82.6	Confident	17 Å²	17	63.6 Å²	63.6	18%	0.175	33%	0.327	C	S	.	.	S	Bend	trans	109.2	164.7	-173.1	0	0	0	0	0	111.8	E503 C504 E505	G501-E503 PolarHBondContact O-N 3.03Å; G501-C504 PolarHBondContact O-N 3.4Å; G501-E505 WeakPolarHBondContact CA-OE2 3.48Å
502	R	82.8	Confident	80.8	Confident	89 Å²	89	68.2 Å²	68.2	34%	0.336	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.9	-177.4	-71.9	-175.1	177	-172.9	1.3	112.1	K54 E57 C493 E505	K54-R502 PolarHBondContact O-NH2 2.89Å; E57-R502 PolarHBondContact O-NH2 3.35Å; C493-R502 WeakPolarHBondContact CB-O 3.47Å; R502-E505 PolarHBondContact N-OE2 3.28Å
503	E	88.2	Confident	79.3	Confident	106 Å²	106	70.4 Å²	70.4	50%	0.495	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	15	179.2	-65.8	-174.8	178.4	0	0	111.9	C481 S482 G501 E505	C481-E503 CarbonylContact C-O 3.59Å; C481-E503 WeakPolarHBondContact CA-O 3.35Å; S482-E503 VanDerWaalsContact CB-O 3.31Å; S482-E503 WeakPolarHBondContact CB-O 3.32Å; S482-E503 PolarHBondContact N-O 3.24Å; S482-E503 VanDerWaalsContact N-O 3.1Å; S482-E503 PolarHBondContact OG-O 3.04Å; G501-E503 PolarHBondContact O-N 3.03Å; E503-E505 VanDerWaalsContact CA-OE2 3.3Å; E503-E505 WeakPolarHBondContact CA-OE2 3.45Å; E503-E505 PolarHBondContact N-OE2 3.2Å; E503-E505 PolarHBondContact O-N 2.96Å
504	C	88.8	Confident	77.9	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.403	C	S	.	.	S	Bend	trans	60.8	32	-178.9	-44.5	0	0	0	0	114.1	N485 C495 R499 V500 G501	N485-C504 HydrophobicContact CB-CB 4.03Å; C495-C504 WeakPolarHBondContact CA-SG 3.44Å; C495-C504 HydrophobicContact CB-CB 3.73Å; C495-C504 WeakPolarHBondContact CB-SG 3.35Å; C495-C504 WeakPolarHBondContact SG-CA 3.49Å; C495-C504 WeakPolarHBondContact SG-CB 3.49Å; C495-C504 CovalentContact SG-SG 2.03Å; C495-C504 PolarHBondContact SG-SG 3.46Å; R499-C504 HydrophobicContact CB-CB 4.19Å; V500-C504 CarbonylContact O-C 3.6Å; G501-C504 PolarHBondContact O-N 3.4Å
505	E	86.5	Confident	76.5	Confident	80 Å²	80	78.2 Å²	78.2	37%	0.374	41%	0.414	S	S	.	.			trans	-79.2	-22	-170.1	67.8	-69.1	-177.9	0	0	113	S482 V500 G501 R502 E503 C537	S482-E505 WeakPolarHBondContact OG-CA 3.45Å; S482-E505 WeakPolarHBondContact OG-CB 2.98Å; S482-E505 PolarHBondContact OG-N 3.49Å; V500-E505 PolarHBondContact O-N 3.47Å; G501-E505 WeakPolarHBondContact CA-OE2 3.48Å; R502-E505 PolarHBondContact N-OE2 3.28Å; E503-E505 VanDerWaalsContact CA-OE2 3.3Å; E503-E505 WeakPolarHBondContact CA-OE2 3.45Å; E503-E505 PolarHBondContact N-OE2 3.2Å; E503-E505 PolarHBondContact O-N 2.96Å; E505-C537 WeakPolarHBondContact CG-SG 3.05Å; E505-C537 PolarHBondContact OE1-SG 2.83Å
506	C	84.1	Confident	75.2	Confident	19 Å²	19	77.8 Å²	77.8	13%	0.128	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	154.1	177.6	-69.3	0	0	0	0	114.3	R499 V500 M516 C537	R499-C506 WeakPolarHBondContact CA-O 3.31Å; R499-C506 WeakPolarHBondContact CD-O 3.03Å; V500-C506 HydrophobicContact CG2-CB 3.98Å; V500-C506 PolarHBondContact N-O 3.47Å; V500-C506 PolarHBondContact O-N 3.04Å; V500-C506 VanDerWaalsContact O-N 3.09Å; C506-M516 HydrophobicContact CB-CE 4.41Å; C506-M516 WeakPolarHBondContact SG-CE 3.39Å; C506-C537 HydrophobicContact CB-CB 3.68Å; C506-C537 WeakPolarHBondContact CB-SG 3.46Å; C506-C537 WeakPolarHBondContact SG-CA 3.48Å; C506-C537 WeakPolarHBondContact SG-CB 3.35Å; C506-C537 CovalentContact SG-SG 2.01Å; C506-C537 PolarHBondContact SG-SG 3.4Å
507	S	82.5	Confident	74.2	Confident	29 Å²	29	75.2 Å²	75.2	20%	0.203	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.4	165	179.3	0	0	0	0	110.3	G498 N509 E510	G498-S507 CarbonylContact O-C 3.59Å; G498-S507 WeakPolarHBondContact O-CA 2.92Å; S507-N509 PolarHBondContact O-N 3.14Å; S507-N509 VanDerWaalsContact O-N 3.13Å; S507-N509 PolarHBondContact OG-N 2.64Å; S507-E510 PolarHBondContact O-N 3.33Å
508	S	72.8	Confident	73.5	Confident	48 Å²	48	73.2 Å²	73.2	34%	0.336	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.1	177.2	63.7	0	0	0	0	113.1	G498 V511	G498-S508 VanDerWaalsContact CA-OG 3.28Å; G498-S508 WeakPolarHBondContact CA-OG 3.41Å; G498-S508 PolarHBondContact O-N 2.88Å; G498-S508 PolarHBondContact O-OG 2.91Å; S508-V511 WeakPolarHBondContact O-CG2 3Å
509	N	66.7	Low	73.2	Confident	149 Å²	149	75.6 Å²	75.6	80%	0.797	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-8.9	179.7	-62.8	-14	0	0	0	112.9	S507	S507-N509 PolarHBondContact O-N 3.14Å; S507-N509 VanDerWaalsContact O-N 3.13Å; S507-N509 PolarHBondContact OG-N 2.64Å
510	E	60.9	Low	73	Confident	113 Å²	113	71.6 Å²	71.6	53%	0.528	38%	0.376	S	S	.	.	S	Bend	trans	-106.6	2.8	-177.9	-68.2	175.4	172.8	0	0	113	S507 S512 T513	S507-E510 PolarHBondContact O-N 3.33Å; E510-S512 PolarHBondContact O-N 3.4Å; E510-T513 PolarHBondContact O-N 2.67Å; E510-T513 PolarHBondContact O-OG1 3.08Å
511	V	55.2	Low	73.1	Confident	46 Å²	46	73.3 Å²	73.3	28%	0.279	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.3	-174.8	-174.7	0	0	0	0	113.3	V500 S508	V500-V511 HydrophobicContact CG2-CG2 3.75Å; S508-V511 WeakPolarHBondContact O-CG2 3Å
512	S	53.4	Low	73.1	Confident	107 Å²	107	78 Å²	78	75%	0.748	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	37.6	-177.5	-161.2	0	0	0	0	112.9	E510	E510-S512 PolarHBondContact O-N 3.4Å
513	T	59.8	Low	73.1	Confident	58 Å²	58	78.5 Å²	78.5	36%	0.356	40%	0.403	S	S	.	.			trans	-83.6	137.8	169.5	54	0	0	0	0	110.3	E510 D515 M516 D517	E510-T513 PolarHBondContact O-N 2.67Å; E510-T513 PolarHBondContact O-OG1 3.08Å; T513-D515 PolarHBondContact O-N 3.5Å; T513-M516 PolarHBondContact O-N 2.89Å; T513-M516 WeakPolarHBondContact OG1-CG 3.46Å; T513-M516 PolarHBondContact OG1-SD 2.78Å; T513-M516 VanDerWaalsContact OG1-SD 3.35Å; T513-D517 PolarHBondContact O-N 2.93Å
514	E	60.1	Low	72.5	Confident	170 Å²	170	80.5 Å²	80.5	79%	0.794	42%	0.417	S	S	*	.	H	α-helix	trans	-53.6	-27.5	179.2	-74	-175.7	161.5	0	0	112.7	R518	E514-R518 WeakPolarHBondContact O-CG 3.03Å; E514-R518 PolarHBondContact O-N 3.36Å
515	D	62.3	Low	71.9	Confident	116 Å²	116	84.3 Å²	84.3	62%	0.62	46%	0.456	S	S	*	.	H	α-helix	trans	-72.4	-33.5	178.4	-70.7	-39.2	0	0	0	113.5	T513	T513-D515 PolarHBondContact O-N 3.5Å
516	M	63.4	Low	71.6	Confident	30 Å²	30	82.4 Å²	82.4	15%	0.148	45%	0.45	C	S	.	.	H	α-helix	trans	-78.3	-33.2	176.4	-73	167.7	72.9	0	0	111.8	C506 T513 R518 T519 C520 C537	C506-M516 HydrophobicContact CB-CE 4.41Å; C506-M516 WeakPolarHBondContact SG-CE 3.39Å; T513-M516 PolarHBondContact O-N 2.89Å; T513-M516 WeakPolarHBondContact OG1-CG 3.46Å; T513-M516 PolarHBondContact OG1-SD 2.78Å; T513-M516 VanDerWaalsContact OG1-SD 3.35Å; M516-R518 PolarHBondContact O-N 3.27Å; M516-T519 PolarHBondContact O-N 3Å; M516-T519 PolarHBondContact O-OG1 2.97Å; M516-C520 PolarHBondContact O-N 3.44Å; M516-C537 VanDerWaalsContact CE-CA 3.44Å
517	D	68.5	Low	71.8	Confident	40 Å²	40	86.3 Å²	86.3	21%	0.214	47%	0.47	C	S	.	.	H	α-helix	trans	-63.9	-27.9	172.9	-77.3	-10.1	0	0	0	112.2	T513 R521 I528	T513-D517 PolarHBondContact O-N 2.93Å; D517-R521 WeakPolarHBondContact O-CG 3.35Å; D517-I528 HydrophobicContact CB-CD1 3.79Å; D517-I528 HydrophobicContact CB-CG1 4.29Å
518	R	71.3	Confident	71.9	Confident	163 Å²	163	87.2 Å²	87.2	62%	0.615	47%	0.472	S	S	*	.	H	α-helix	trans	-69.8	-37.5	175.2	-74.6	176.2	75	-169.5	2.4	112.5	E514 M516 C520 R521	E514-R518 WeakPolarHBondContact O-CG 3.03Å; E514-R518 PolarHBondContact O-N 3.36Å; M516-R518 PolarHBondContact O-N 3.27Å; R518-C520 PolarHBondContact O-N 2.76Å; R518-R521 PolarHBondContact O-N 2.81Å
519	T	78.4	Confident	72.6	Confident	80 Å²	80	84.9 Å²	84.9	49%	0.491	46%	0.456	S	S	.	.	H	α-helix	trans	-75.7	-16.2	-179.9	61.8	0	0	0	0	113	M516 G538 F556	M516-T519 PolarHBondContact O-N 3Å; M516-T519 PolarHBondContact O-OG1 2.97Å; T519-G538 VanDerWaalsContact OG1-CA 3.26Å; T519-G538 WeakPolarHBondContact OG1-CA 3.45Å; T519-G538 PolarHBondContact OG1-O 3.02Å; T519-F556 WeakPolarHBondContact O-CE1 3.41Å
520	C	83.7	Confident	73.7	Confident	1 Å²	1	79.3 Å²	79.3	1%	0.007	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	8.9	175.4	-73.9	0	0	0	0	113.9	M516 R518 I528 C529 C535	M516-C520 PolarHBondContact O-N 3.44Å; R518-C520 PolarHBondContact O-N 2.76Å; C520-I528 HydrophobicContact CB-CG2 3.82Å; C520-C529 PolarHBondContact O-N 2.81Å; C520-C535 HydrophobicContact CB-CB 3.57Å; C520-C535 WeakPolarHBondContact CB-SG 3.34Å; C520-C535 WeakPolarHBondContact SG-CB 3.33Å; C520-C535 CovalentContact SG-SG 2.03Å; C520-C535 PolarHBondContact SG-SG 3.47Å
521	R	84.4	Confident	75	Confident	79 Å²	79	79 Å²	79	30%	0.298	43%	0.43	S	S	.	.			trans	-109.7	137.6	172.8	-71	174	-171.8	-104.4	6.6	109.8	D517 R518 T526 I528 F556	D517-R521 WeakPolarHBondContact O-CG 3.35Å; R518-R521 PolarHBondContact O-N 2.81Å; R521-T526 WeakPolarHBondContact CD-O 3.32Å; R521-T526 WeakPolarHBondContact CG-O 3.47Å; R521-T526 PolarHBondContact NH1-O 2.93Å; R521-I528 HydrophobicContact CG-CG1 4.09Å; R521-F556 VanDerWaalsContact C-CE1 3.46Å; R521-F556 VanDerWaalsContact O-CE1 3.3Å; R521-F556 WeakPolarHBondContact O-CE1 3.49Å
522	K	82.3	Confident	76.5	Confident	115 Å²	115	78.1 Å²	78.1	50%	0.5	42%	0.424	S	S	.	.	S	Bend	trans	-66.8	-46.8	174.7	-178.9	179.7	174.1	174.7	0	111	T526 F556	K522-T526 HydrophobicContact CB-CG2 4.31Å; K522-T526 PolarHBondContact N-OG1 2.84Å; K522-T526 VanDerWaalsContact N-OG1 3.12Å; K522-F556 HydrophobicContact CB-CB 4.43Å; K522-F556 HydrophobicContact CB-CD2 3.69Å; K522-F556 HydrophobicContact CB-CE2 4.01Å; K522-F556 HydrophobicContact CB-CG 3.98Å; K522-F556 HydrophobicContact CG-CD2 4.07Å; K522-F556 HydrophobicContact CG-CE2 4.17Å
523	D	82.2	Confident	78.1	Confident	99 Å²	99	73.5 Å²	73.5	53%	0.529	39%	0.393	S	S	.	.	S	Bend	trans	-141.4	160.9	176.7	-60.3	-62.6	0	0	0	109.7	G525 T526	D523-G525 PolarHBondContact O-N 3.24Å; D523-T526 HydrophobicContact CB-CG2 4.31Å; D523-T526 PolarHBondContact N-OG1 3.07Å; D523-T526 PolarHBondContact O-N 3.28Å; D523-T526 PolarHBondContact O-OG1 2.78Å
524	N	75.8	Confident	79.3	Confident	149 Å²	149	77 Å²	77	80%	0.797	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-16.5	-179.6	-76.7	-15.4	0	0	0	114.7
525	G	75.2	Confident	80.4	Confident	80 Å²	80	69.7 Å²	69.7	83%	0.825	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	0.2	176.1	0	0	0	0	0	115.2	D523	D523-G525 PolarHBondContact O-N 3.24Å
526	T	81.6	Confident	81.2	Confident	39 Å²	39	65.5 Å²	65.5	24%	0.239	35%	0.351	C	S	.	.	S	Bend	trans	-98.1	144.8	179.1	57.6	0	0	0	0	111.2	R521 K522 D523	R521-T526 WeakPolarHBondContact CD-O 3.32Å; R521-T526 WeakPolarHBondContact CG-O 3.47Å; R521-T526 PolarHBondContact NH1-O 2.93Å; K522-T526 HydrophobicContact CB-CG2 4.31Å; K522-T526 PolarHBondContact N-OG1 2.84Å; K522-T526 VanDerWaalsContact N-OG1 3.12Å; D523-T526 HydrophobicContact CB-CG2 4.31Å; D523-T526 PolarHBondContact N-OG1 3.07Å; D523-T526 PolarHBondContact O-N 3.28Å; D523-T526 PolarHBondContact O-OG1 2.78Å
527	D	87.1	Confident	81.9	Confident	101 Å²	101	64.8 Å²	64.8	54%	0.54	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-65.3	153.4	173.3	-67.7	-41.4	0	0	0	111.3	C529 S530 N531	D527-C529 PolarHBondContact O-N 2.76Å; D527-S530 PolarHBondContact O-N 3.08Å; D527-N531 HydrophobicContact CB-CB 4.32Å
528	I	85.2	Confident	82.2	Confident	48 Å²	48	63.7 Å²	63.7	25%	0.246	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-56.4	124.8	176.2	-61	166.2	0	0	0	108.3	D517 C520 R521 S530 N531 C535	D517-I528 HydrophobicContact CB-CD1 3.79Å; D517-I528 HydrophobicContact CB-CG1 4.29Å; C520-I528 HydrophobicContact CB-CG2 3.82Å; R521-I528 HydrophobicContact CG-CG1 4.09Å; I528-S530 PolarHBondContact O-N 2.71Å; I528-S530 VanDerWaalsContact O-N 3.08Å; I528-N531 PolarHBondContact O-N 3.01Å; I528-C535 HydrophobicContact CG2-CB 3.61Å
529	C	87.7	Confident	82.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	49.8	35	-176.7	-54.1	0	0	0	0	113.7	C520 D527 N531 N532 G533 C540 F556	C520-C529 PolarHBondContact O-N 2.81Å; D527-C529 PolarHBondContact O-N 2.76Å; C529-N531 PolarHBondContact O-N 3.17Å; C529-N532 PolarHBondContact O-N 2.03Å; C529-G533 PolarHBondContact O-N 3.04Å; C529-C540 WeakPolarHBondContact CA-SG 3.47Å; C529-C540 HydrophobicContact CB-CB 3.65Å; C529-C540 WeakPolarHBondContact CB-SG 3.44Å; C529-C540 WeakPolarHBondContact SG-CA 3.25Å; C529-C540 WeakPolarHBondContact SG-CB 3.49Å; C529-C540 CovalentContact SG-SG 2.03Å; C529-C540 PolarHBondContact SG-SG 2.89Å; C529-F556 CarbonylContact C-O 3.53Å; C529-F556 VanDerWaalsContact CA-O 3.29Å; C529-F556 WeakPolarHBondContact CA-O 3.4Å; C529-F556 VanDerWaalsContact O-O 3.13Å
530	S	88.3	Confident	82.9	Confident	32 Å²	32	55.2 Å²	55.2	22%	0.224	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	52.3	25	-178	-50.3	0	0	0	0	113.7	D527 I528 N532 F556 E558	D527-S530 PolarHBondContact O-N 3.08Å; I528-S530 PolarHBondContact O-N 2.71Å; I528-S530 VanDerWaalsContact O-N 3.08Å; S530-N532 PolarHBondContact O-N 3.32Å; S530-N532 PolarHBondContact O-ND2 2.74Å; S530-F556 WeakPolarHBondContact CB-O 3.32Å; S530-F556 PolarHBondContact N-O 3.38Å; S530-F556 PolarHBondContact OG-O 3.29Å; S530-E558 WeakPolarHBondContact OG-CB 3.41Å
531	N	88.1	Confident	83	Confident	106 Å²	106	57.6 Å²	57.6	57%	0.567	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	60	6.8	-171.5	-158.1	12.7	0	0	0	115.3	D527 I528 C529 K543	D527-N531 HydrophobicContact CB-CB 4.32Å; I528-N531 PolarHBondContact O-N 3.01Å; C529-N531 PolarHBondContact O-N 3.17Å; N531-K543 PolarHBondContact O-NZ 2.91Å
532	N	88.3	Confident	83.1	Confident	28 Å²	28	54.5 Å²	54.5	15%	0.15	32%	0.315	C	S	.	.	S	Bend	trans	-106.2	12.5	-177.7	-61.6	-39.2	0	0	0	112.5	C529 S530 K543 Y552 C557	C529-N532 PolarHBondContact O-N 2.03Å; S530-N532 PolarHBondContact O-N 3.32Å; S530-N532 PolarHBondContact O-ND2 2.74Å; N532-K543 WeakPolarHBondContact O-CB 3.5Å; N532-K543 PolarHBondContact O-N 3.41Å; N532-Y552 HydrophobicContact CB-CD1 3.58Å; N532-Y552 HydrophobicContact CB-CD2 4.25Å; N532-Y552 HydrophobicContact CB-CE1 3.79Å; N532-Y552 HydrophobicContact CB-CE2 4.44Å; N532-Y552 HydrophobicContact CB-CG 3.82Å; N532-Y552 WeakPolarHBondContact OD1-CE1 3.39Å; N532-C557 HydrophobicContact CB-CB 3.94Å; N532-C557 WeakPolarHBondContact CB-O 3.42Å; N532-C557 PolarHBondContact ND2-O 3.33Å
533	G	86.5	Confident	83.2	Confident	9 Å²	9	53.3 Å²	53.3	9%	0.093	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	179	-178.3	0	0	0	0	0	111.7	C529 E541	C529-G533 PolarHBondContact O-N 3.04Å; G533-E541 CarbonylContact C-O 3.55Å; G533-E541 WeakPolarHBondContact CA-O 3.44Å
534	E	85.3	Confident	82.8	Confident	133 Å²	133	53.1 Å²	53.1	62%	0.621	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	139	167.3	-67.6	-177	-179.3	0	0	108.6	V536 E541	E534-V536 HydrophobicContact CB-CG2 4.35Å; E534-V536 PolarHBondContact O-N 2.03Å; E534-E541 PolarHBondContact N-O 3.08Å; E534-E541 PolarHBondContact O-N 2.03Å
535	C	83.1	Confident	82.9	Confident	16 Å²	16	51 Å²	51	11%	0.108	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	105.5	174.1	-177	0	0	0	0	108.4	C520 I528	C520-C535 HydrophobicContact CB-CB 3.57Å; C520-C535 WeakPolarHBondContact CB-SG 3.34Å; C520-C535 WeakPolarHBondContact SG-CB 3.33Å; C520-C535 CovalentContact SG-SG 2.03Å; C520-C535 PolarHBondContact SG-SG 3.47Å; I528-C535 HydrophobicContact CG2-CB 3.61Å
536	V	78.5	Confident	82.8	Confident	28 Å²	28	55.7 Å²	55.7	17%	0.17	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	112.9	178	-175.8	0	0	0	0	107.4	V500 E534 G538 T539 E541	V500-V536 HydrophobicContact CB-CG1 4.43Å; E534-V536 HydrophobicContact CB-CG2 4.35Å; E534-V536 PolarHBondContact O-N 2.03Å; V536-G538 VanDerWaalsContact C-N 3.34Å; V536-G538 PolarHBondContact O-N 2.78Å; V536-T539 PolarHBondContact N-O 3.11Å; V536-T539 PolarHBondContact O-N 2.91Å; V536-E541 HydrophobicContact CB-CG 4.15Å; V536-E541 HydrophobicContact CG2-CB 4.31Å; V536-E541 HydrophobicContact CG2-CG 4.12Å
537	C	77.8	Confident	82.3	Confident	15 Å²	15	55.8 Å²	55.8	10%	0.101	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	42	177	-163.1	0	0	0	0	114.6	E505 C506 M516 T539	E505-C537 WeakPolarHBondContact CG-SG 3.05Å; E505-C537 PolarHBondContact OE1-SG 2.83Å; C506-C537 HydrophobicContact CB-CB 3.68Å; C506-C537 WeakPolarHBondContact CB-SG 3.46Å; C506-C537 WeakPolarHBondContact SG-CA 3.48Å; C506-C537 WeakPolarHBondContact SG-CB 3.35Å; C506-C537 CovalentContact SG-SG 2.01Å; C506-C537 PolarHBondContact SG-SG 3.4Å; M516-C537 VanDerWaalsContact CE-CA 3.44Å; C537-T539 PolarHBondContact O-N 3.08Å
538	G	74.6	Confident	81.3	Confident	16 Å²	16	52.7 Å²	52.7	17%	0.165	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	4.2	177.8	0	0	0	0	0	115.1	T519 V536	T519-G538 VanDerWaalsContact OG1-CA 3.26Å; T519-G538 WeakPolarHBondContact OG1-CA 3.45Å; T519-G538 PolarHBondContact OG1-O 3.02Å; V536-G538 VanDerWaalsContact C-N 3.34Å; V536-G538 PolarHBondContact O-N 2.78Å
539	T	80.6	Confident	80.6	Confident	63 Å²	63	57.4 Å²	57.4	39%	0.387	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.1	171.9	-55.4	0	0	0	0	110.2	V536 C537	V536-T539 PolarHBondContact N-O 3.11Å; V536-T539 PolarHBondContact O-N 2.91Å; C537-T539 PolarHBondContact O-N 3.08Å
540	C	85.1	Confident	80.4	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.014	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127	176.5	-68.6	0	0	0	0	112.2	G56 C529 Q555	G56-C540 WeakPolarHBondContact CA-O 3.24Å; C529-C540 WeakPolarHBondContact CA-SG 3.47Å; C529-C540 HydrophobicContact CB-CB 3.65Å; C529-C540 WeakPolarHBondContact CB-SG 3.44Å; C529-C540 WeakPolarHBondContact SG-CA 3.25Å; C529-C540 WeakPolarHBondContact SG-CB 3.49Å; C529-C540 CovalentContact SG-SG 2.03Å; C529-C540 PolarHBondContact SG-SG 2.89Å; C540-Q555 WeakPolarHBondContact CB-O 3.44Å
541	E	85.3	Confident	80.1	Confident	52 Å²	52	64.2 Å²	64.2	24%	0.243	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.5	165.4	-71.4	-167.4	174.9	0	0	108.9	T58 G533 E534 V536	T58-E541 HydrophobicContact CG2-CB 4.09Å; T58-E541 HydrophobicContact CG2-CG 4.44Å; G533-E541 CarbonylContact C-O 3.55Å; G533-E541 WeakPolarHBondContact CA-O 3.44Å; E534-E541 PolarHBondContact N-O 3.08Å; E534-E541 PolarHBondContact O-N 2.03Å; V536-E541 HydrophobicContact CB-CG 4.15Å; V536-E541 HydrophobicContact CG2-CB 4.31Å; V536-E541 HydrophobicContact CG2-CG 4.12Å
542	C	85.9	Confident	80.1	Confident	14 Å²	14	61.5 Å²	61.5	10%	0.095	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	141.1	-172.8	-53.9	0	0	0	0	112.3	G56 A544 C557	G56-C542 PolarHBondContact O-N 3.11Å; G56-C542 PolarHBondContact O-SG 3.02Å; C542-A544 PolarHBondContact O-N 3.13Å; C542-C557 WeakPolarHBondContact CA-SG 3.35Å; C542-C557 HydrophobicContact CB-CB 3.88Å; C542-C557 WeakPolarHBondContact CB-SG 3.29Å; C542-C557 PolarHBondContact N-SG 3.05Å; C542-C557 WeakPolarHBondContact SG-CA 3.43Å; C542-C557 WeakPolarHBondContact SG-CB 3.42Å; C542-C557 CovalentContact SG-SG 2.04Å; C542-C557 PolarHBondContact SG-SG 2.62Å
543	K	84.7	Confident	79.8	Confident	89 Å²	89	62 Å²	62	39%	0.387	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-63.2	133.5	-179.9	-72.2	171.2	-174.4	169.3	0	110	N531 N532 Y552	N531-K543 PolarHBondContact O-NZ 2.91Å; N532-K543 WeakPolarHBondContact O-CB 3.5Å; N532-K543 PolarHBondContact O-N 3.41Å; K543-Y552 WeakPolarHBondContact O-CD2 3.32Å
544	A	74.3	Confident	79.5	Confident	95 Å²	95	62.6 Å²	62.6	79%	0.785	33%	0.325	S	S	*	.	B	Isolated β-bridge	trans	-73.6	144.5	168.9	0	0	0	0	0	110.5	C542	C542-A544 PolarHBondContact O-N 3.13Å
545	R	77.6	Confident	79.4	Confident	105 Å²	105	60.5 Å²	60.5	40%	0.396	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-99.8	164.1	173.5	-71.8	-132.8	62.3	-160.2	-2.4	111.1	N547 E550 Y552	R545-N547 PolarHBondContact O-N 2.98Å; R545-E550 HydrophobicContact CB-CB 4.29Å; R545-E550 HydrophobicContact CG-CB 4.49Å; R545-E550 IonicContact CZ-OE2 2.72Å; R545-E550 IonicContact NE-OE2 3.25Å; R545-E550 IonicContact NH1-OE2 3.84Å; R545-E550 PolarHBondContact NH1-OE2 3.25Å; R545-Y552 HydrophobicContact CG-CD2 4.35Å; R545-Y552 HydrophobicContact CG-CE2 3.85Å
546	E	72.5	Confident	79.5	Confident	178 Å²	178	61 Å²	61	83%	0.832	32%	0.316	S	S	*	.	S	Bend	trans	-62.7	-32	174.4	-66.5	-175	164.9	0	0	112.6	P548	E546-P548 WeakPolarHBondContact O-CD 3.45Å
547	N	71.2	Confident	80	Confident	42 Å²	42	59.7 Å²	59.7	23%	0.225	31%	0.308	C	S	.	.	S	Bend	trans	-96.1	112.7	170.4	-177.5	-4.6	0	0	0	109.1	R545 E549 E550	R545-N547 PolarHBondContact O-N 2.98Å; N547-E549 PolarHBondContact O-N 3.14Å; N547-E549 PolarHBondContact OD1-N 2.67Å; N547-E549 VanDerWaalsContact OD1-N 3.11Å; N547-E550 HydrophobicContact CB-CB 4.31Å; N547-E550 HydrophobicContact CB-CG 4.05Å; N547-E550 WeakPolarHBondContact O-CB 3.01Å; N547-E550 PolarHBondContact O-N 3.41Å
548	P	66.9	Low	80.4	Confident	35 Å²	35	61.3 Å²	61.3	23%	0.227	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.3	-178.8	-28.9	42.1	0	0	0	115.3	E22 I27 E546 E550	E22-P548 WeakPolarHBondContact O-CD 3.38Å; I27-P548 HydrophobicContact CD1-CB 3.96Å; I27-P548 HydrophobicContact CG2-CB 4.19Å; I27-P548 HydrophobicContact CG2-CG 4.32Å; E546-P548 WeakPolarHBondContact O-CD 3.45Å; P548-E550 PolarHBondContact O-N 2.88Å
549	E	71.3	Confident	81.2	Confident	148 Å²	148	61.5 Å²	61.5	69%	0.692	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-20.7	172.2	-67.4	-68.6	150.5	0	0	111.6	N547 N561	N547-E549 PolarHBondContact O-N 3.14Å; N547-E549 PolarHBondContact OD1-N 2.67Å; N547-E549 VanDerWaalsContact OD1-N 3.11Å; E549-N561 PolarHBondContact O-ND2 2.78Å; E549-N561 PolarHBondContact O-OD1 3.44Å
550	E	82.8	Confident	81.5	Confident	45 Å²	45	58.5 Å²	58.5	21%	0.21	29%	0.294	C	S	.	.	S	Bend	trans	-91.6	114	174.6	-65.3	-175.5	-176	0	0	110.4	R545 N547 P548 F562	R545-E550 HydrophobicContact CB-CB 4.29Å; R545-E550 HydrophobicContact CG-CB 4.49Å; R545-E550 IonicContact CZ-OE2 2.72Å; R545-E550 IonicContact NE-OE2 3.25Å; R545-E550 IonicContact NH1-OE2 3.84Å; R545-E550 PolarHBondContact NH1-OE2 3.25Å; N547-E550 HydrophobicContact CB-CB 4.31Å; N547-E550 HydrophobicContact CB-CG 4.05Å; N547-E550 WeakPolarHBondContact O-CB 3.01Å; N547-E550 PolarHBondContact O-N 3.41Å; P548-E550 PolarHBondContact O-N 2.88Å; E550-F562 HydrophobicContact CB-CB 4.41Å; E550-F562 HydrophobicContact CB-CD1 3.55Å; E550-F562 HydrophobicContact CB-CE1 3.98Å; E550-F562 HydrophobicContact CB-CG 4.09Å; E550-F562 HydrophobicContact CG-CB 3.89Å; E550-F562 HydrophobicContact CG-CD1 3.99Å; E550-F562 HydrophobicContact CG-CG 4.02Å
551	R	82.7	Confident	81.6	Confident	129 Å²	129	60.2 Å²	60.2	49%	0.487	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-131.9	141.4	-176.3	61.1	-179.2	-178.2	158.3	1.2	112.7	D560 N561	R551-D560 WeakPolarHBondContact O-CA 2.98Å; R551-N561 PolarHBondContact N-OD1 2.92Å; R551-N561 PolarHBondContact O-N 3.2Å; R551-N561 PolarHBondContact O-OD1 3.44Å
552	Y	86.3	Confident	81.8	Confident	49 Å²	49	58.6 Å²	58.6	19%	0.192	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	145.4	160.9	-62.6	-76.2	0	0	0	109.1	N532 K543 R545 C559 D560 F562	N532-Y552 HydrophobicContact CB-CD1 3.58Å; N532-Y552 HydrophobicContact CB-CD2 4.25Å; N532-Y552 HydrophobicContact CB-CE1 3.79Å; N532-Y552 HydrophobicContact CB-CE2 4.44Å; N532-Y552 HydrophobicContact CB-CG 3.82Å; N532-Y552 WeakPolarHBondContact OD1-CE1 3.39Å; K543-Y552 WeakPolarHBondContact O-CD2 3.32Å; R545-Y552 HydrophobicContact CG-CD2 4.35Å; R545-Y552 HydrophobicContact CG-CE2 3.85Å; Y552-C559 CarbonylContact C-O 3.59Å; Y552-C559 VanDerWaalsContact CA-O 3.31Å; Y552-C559 WeakPolarHBondContact CA-O 3.28Å; Y552-D560 HydrophobicContact CD1-CB 3.91Å; Y552-D560 HydrophobicContact CE1-CB 4.22Å; Y552-F562 HydrophobicContact CD1-CZ 4.32Å; Y552-F562 HydrophobicContact CE1-CE1 4.29Å; Y552-F562 AromaticContact CE1-CZ 3.67Å; Y552-F562 HydrophobicContact CE1-CZ 3.67Å; Y552-F562 HydrophobicContact CE2-CZ 4.11Å; Y552-F562 AromaticContact CZ-CZ 3.57Å
553	S	82.4	Confident	81.9	Confident	40 Å²	40	62.1 Å²	62.1	28%	0.28	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	172.5	-176.9	56.8	0	0	0	0	110.6	C557 E558 C559	S553-C557 CarbonylContact O-C 3.56Å; S553-C557 WeakPolarHBondContact O-CA 3.31Å; S553-E558 PolarHBondContact O-N 3.44Å; S553-C559 PolarHBondContact N-O 2.76Å; S553-C559 WeakPolarHBondContact O-CB 3.38Å; S553-C559 PolarHBondContact O-N 3.39Å; S553-C559 WeakPolarHBondContact OG-CB 3.45Å
554	G	80.4	Confident	82.2	Confident	21 Å²	21	58.4 Å²	58.4	22%	0.216	30%	0.298	C	S	.	.	S	Bend	trans	99.1	166	-176.2	0	0	0	0	0	112.2	F556 C557	G554-F556 PolarHBondContact O-N 3.41Å; G554-C557 PolarHBondContact O-N 2.94Å
555	Q	82.6	Confident	83	Confident	88 Å²	88	57.9 Å²	57.9	41%	0.411	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.2	-175.2	174.2	171.9	3.7	0	0	112.6	Q55 C540 E558	Q55-Q555 HydrophobicContact CG-CB 4.41Å; Q55-Q555 VanDerWaalsContact NE2-CG 3.3Å; C540-Q555 WeakPolarHBondContact CB-O 3.44Å; Q555-E558 PolarHBondContact N-OE2 3.24Å
556	F	86.5	Confident	83.6	Confident	27 Å²	27	59.9 Å²	59.9	12%	0.118	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	22.5	-177.8	-52.4	-76.1	0	0	0	111.5	T519 R521 K522 C529 S530 G554 E558	T519-F556 WeakPolarHBondContact O-CE1 3.41Å; R521-F556 VanDerWaalsContact C-CE1 3.46Å; R521-F556 VanDerWaalsContact O-CE1 3.3Å; R521-F556 WeakPolarHBondContact O-CE1 3.49Å; K522-F556 HydrophobicContact CB-CB 4.43Å; K522-F556 HydrophobicContact CB-CD2 3.69Å; K522-F556 HydrophobicContact CB-CE2 4.01Å; K522-F556 HydrophobicContact CB-CG 3.98Å; K522-F556 HydrophobicContact CG-CD2 4.07Å; K522-F556 HydrophobicContact CG-CE2 4.17Å; C529-F556 CarbonylContact C-O 3.53Å; C529-F556 VanDerWaalsContact CA-O 3.29Å; C529-F556 WeakPolarHBondContact CA-O 3.4Å; C529-F556 VanDerWaalsContact O-O 3.13Å; S530-F556 WeakPolarHBondContact CB-O 3.32Å; S530-F556 PolarHBondContact N-O 3.38Å; S530-F556 PolarHBondContact OG-O 3.29Å; G554-F556 PolarHBondContact O-N 3.41Å; F556-E558 VanDerWaalsContact C-OE2 3.23Å; F556-E558 VanDerWaalsContact CA-OE2 3.31Å; F556-E558 WeakPolarHBondContact CA-OE2 3.48Å; F556-E558 PolarHBondContact N-OE2 3.12Å; F556-E558 PolarHBondContact O-N 3.25Å; F556-E558 VanDerWaalsContact O-N 3.14Å
557	C	88.5	Confident	84.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	52.2	33.5	-175.5	-52.4	0	0	0	0	113.5	N532 C542 S553 G554	N532-C557 HydrophobicContact CB-CB 3.94Å; N532-C557 WeakPolarHBondContact CB-O 3.42Å; N532-C557 PolarHBondContact ND2-O 3.33Å; C542-C557 WeakPolarHBondContact CA-SG 3.35Å; C542-C557 HydrophobicContact CB-CB 3.88Å; C542-C557 WeakPolarHBondContact CB-SG 3.29Å; C542-C557 PolarHBondContact N-SG 3.05Å; C542-C557 WeakPolarHBondContact SG-CA 3.43Å; C542-C557 WeakPolarHBondContact SG-CB 3.42Å; C542-C557 CovalentContact SG-SG 2.04Å; C542-C557 PolarHBondContact SG-SG 2.62Å; S553-C557 CarbonylContact O-C 3.56Å; S553-C557 WeakPolarHBondContact O-CA 3.31Å; G554-C557 PolarHBondContact O-N 2.94Å
558	E	87.3	Confident	84.8	Confident	50 Å²	50	54.9 Å²	54.9	23%	0.234	29%	0.289	C	S	.	.			trans	-83.9	-19.8	-174.1	71.9	-85.3	-152	0	0	113.2	S530 S553 Q555 F556 R581	S530-E558 WeakPolarHBondContact OG-CB 3.41Å; S553-E558 PolarHBondContact O-N 3.44Å; Q555-E558 PolarHBondContact N-OE2 3.24Å; F556-E558 VanDerWaalsContact C-OE2 3.23Å; F556-E558 VanDerWaalsContact CA-OE2 3.31Å; F556-E558 WeakPolarHBondContact CA-OE2 3.48Å; F556-E558 PolarHBondContact N-OE2 3.12Å; F556-E558 PolarHBondContact O-N 3.25Å; F556-E558 VanDerWaalsContact O-N 3.14Å; E558-R581 PolarHBondContact O-NH2 2.86Å
559	C	89.3	Confident	85.6	Confident	20 Å²	20	60.3 Å²	60.3	14%	0.135	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	148.4	179.7	-70.2	0	0	0	0	111	Y552 S553 C580	Y552-C559 CarbonylContact C-O 3.59Å; Y552-C559 VanDerWaalsContact CA-O 3.31Å; Y552-C559 WeakPolarHBondContact CA-O 3.28Å; S553-C559 PolarHBondContact N-O 2.76Å; S553-C559 WeakPolarHBondContact O-CB 3.38Å; S553-C559 PolarHBondContact O-N 3.39Å; S553-C559 WeakPolarHBondContact OG-CB 3.45Å; C559-C580 VanDerWaalsContact CA-SG 3.58Å; C559-C580 HydrophobicContact CB-CB 3.61Å; C559-C580 WeakPolarHBondContact CB-SG 3.47Å; C559-C580 WeakPolarHBondContact SG-CB 3.13Å; C559-C580 CovalentContact SG-SG 2.04Å; C559-C580 PolarHBondContact SG-SG 3.36Å
560	D	88.8	Confident	86.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	161.6	166.9	64.7	70.1	0	0	0	110.3	R551 Y552 F562 N563 C580 R581	R551-D560 WeakPolarHBondContact O-CA 2.98Å; Y552-D560 HydrophobicContact CD1-CB 3.91Å; Y552-D560 HydrophobicContact CE1-CB 4.22Å; D560-F562 HydrophobicContact CB-CD1 3.96Å; D560-F562 HydrophobicContact CB-CE1 3.61Å; D560-F562 HydrophobicContact CB-CZ 3.93Å; D560-F562 PolarHBondContact OD1-N 2.76Å; D560-N563 WeakPolarHBondContact OD1-CA 3.47Å; D560-N563 WeakPolarHBondContact OD1-CB 3.48Å; D560-N563 PolarHBondContact OD1-N 3.16Å; D560-N563 PolarHBondContact OD1-ND2 3.25Å; D560-N563 PolarHBondContact OD2-ND2 3.34Å; D560-C580 WeakPolarHBondContact O-CA 3.19Å; D560-C580 PolarHBondContact O-N 2.93Å; D560-R581 PolarHBondContact O-N 2.94Å; D560-R581 VanDerWaalsContact O-N 3.08Å; D560-R581 IonicContact OD2-CZ 3.36Å; D560-R581 IonicContact OD2-NE 2.73Å; D560-R581 PolarHBondContact OD2-NE 3Å; D560-R581 IonicContact OD2-NH2 3.08Å; D560-R581 PolarHBondContact OD2-NH2 2.03Å; D560-R581 VanDerWaalsContact OD2-NH2 3.08Å
561	N	86.6	Confident	86.5	Confident	38 Å²	38	59.7 Å²	59.7	20%	0.203	31%	0.313	C	S	.	.	S	Bend	trans	-106.4	17.4	-179.8	71.5	-27.2	0	0	0	113.4	E549 R551 L571 C578	E549-N561 PolarHBondContact O-ND2 2.78Å; E549-N561 PolarHBondContact O-OD1 3.44Å; R551-N561 PolarHBondContact N-OD1 2.92Å; R551-N561 PolarHBondContact O-N 3.2Å; R551-N561 PolarHBondContact O-OD1 3.44Å; N561-L571 WeakPolarHBondContact O-CD2 3.23Å; N561-C578 VanDerWaalsContact O-CB 3.27Å; N561-C578 WeakPolarHBondContact O-CB 3.43Å; N561-C578 PolarHBondContact O-SG 3.34Å; N561-C578 VanDerWaalsContact O-SG 3.35Å
562	F	88.5	Confident	86.9	Confident	17 Å²	17	53.5 Å²	53.5	8%	0.075	29%	0.29	C	S	.	.	S	Bend	trans	-132.8	-14.2	-174.7	57.1	-95.3	0	0	0	115	E550 Y552 D560 C564 L571	E550-F562 HydrophobicContact CB-CB 4.41Å; E550-F562 HydrophobicContact CB-CD1 3.55Å; E550-F562 HydrophobicContact CB-CE1 3.98Å; E550-F562 HydrophobicContact CB-CG 4.09Å; E550-F562 HydrophobicContact CG-CB 3.89Å; E550-F562 HydrophobicContact CG-CD1 3.99Å; E550-F562 HydrophobicContact CG-CG 4.02Å; Y552-F562 HydrophobicContact CD1-CZ 4.32Å; Y552-F562 HydrophobicContact CE1-CE1 4.29Å; Y552-F562 AromaticContact CE1-CZ 3.67Å; Y552-F562 HydrophobicContact CE1-CZ 3.67Å; Y552-F562 HydrophobicContact CE2-CZ 4.11Å; Y552-F562 AromaticContact CZ-CZ 3.57Å; D560-F562 HydrophobicContact CB-CD1 3.96Å; D560-F562 HydrophobicContact CB-CE1 3.61Å; D560-F562 HydrophobicContact CB-CZ 3.93Å; D560-F562 PolarHBondContact OD1-N 2.76Å; F562-C564 PolarHBondContact O-N 2.97Å; F562-L571 WeakPolarHBondContact O-CD1 3.11Å
563	N	89.6	Confident	86.9	Confident	89 Å²	89	51.7 Å²	51.7	48%	0.476	29%	0.286	S	S	.	.			trans	-96.8	49.2	172.1	-60.7	-48.9	0	0	0	111.9	D560 R581	D560-N563 WeakPolarHBondContact OD1-CA 3.47Å; D560-N563 WeakPolarHBondContact OD1-CB 3.48Å; D560-N563 PolarHBondContact OD1-N 3.16Å; D560-N563 PolarHBondContact OD1-ND2 3.25Å; D560-N563 PolarHBondContact OD2-ND2 3.34Å; N563-R581 HydrophobicContact CB-CG 4.34Å
564	C	90.6	Very high	87.1	Confident	11 Å²	11	52 Å²	52	7%	0.074	30%	0.296	C	S	.	.	S	Bend	trans	-96.1	164.9	166.8	-71.9	0	0	0	0	111.7	F562 L571 C578 R581 K582 C583	F562-C564 PolarHBondContact O-N 2.97Å; C564-L571 HydrophobicContact CB-CD1 3.73Å; C564-L571 HydrophobicContact CB-CG 4.33Å; C564-L571 WeakPolarHBondContact O-CD1 3.26Å; C564-C578 HydrophobicContact CB-CB 3.77Å; C564-C578 WeakPolarHBondContact CB-SG 3Å; C564-C578 WeakPolarHBondContact SG-CA 3.38Å; C564-C578 WeakPolarHBondContact SG-CB 3.01Å; C564-C578 CovalentContact SG-SG 2.01Å; C564-C578 PolarHBondContact SG-SG 3.07Å; C564-R581 WeakPolarHBondContact SG-CA 3.42Å; C564-K582 PolarHBondContact SG-N 2.88Å; C564-K582 PolarHBondContact SG-O 3.39Å; C564-C583 VanDerWaalsContact CB-SG 3.54Å
565	D	90	Very high	87.5	Confident	83 Å²	83	54.2 Å²	54.2	44%	0.444	30%	0.3	S	S	.	.			trans	-55.4	141.4	175.5	-70.4	-11.8	0	0	0	111.8	C572 T592 A593	D565-C572 PolarHBondContact O-N 2.99Å; D565-T592 WeakPolarHBondContact OD2-CB 3Å; D565-T592 PolarHBondContact OD2-OG1 3.23Å; D565-A593 HydrophobicContact CB-CB 3.73Å
566	R	90.2	Very high	87.7	Confident	148 Å²	148	51 Å²	51	56%	0.558	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	137.5	-179.1	-67	-175.7	174.1	-126.5	2.6	110.7	N569 K570 L571	R566-N569 PolarHBondContact NH1-O 3.45Å; R566-K570 VanDerWaalsContact CA-O 3.22Å; R566-K570 WeakPolarHBondContact CA-O 3.45Å; R566-L571 HydrophobicContact CG-CD1 4.3Å
567	S	87.3	Confident	87.8	Confident	41 Å²	41	56.2 Å²	56.2	29%	0.287	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135	169.2	-173	0	0	0	0	109.5	N569 K570 D595	S567-N569 PolarHBondContact O-N 3.04Å; S567-K570 PolarHBondContact N-O 3.16Å; S567-K570 PolarHBondContact O-N 3.48Å; S567-D595 WeakPolarHBondContact OG-CB 2.98Å
568	G	82.2	Confident	87.8	Confident	73 Å²	73	57 Å²	57	75%	0.753	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	34.9	-174.1	0	0	0	0	0	113.9	K570	G568-K570 PolarHBondContact O-N 2.88Å; G568-K570 VanDerWaalsContact O-N 3.17Å
569	N	83.6	Confident	87.8	Confident	149 Å²	149	59.2 Å²	59.2	80%	0.797	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	5.6	-172.1	-71.2	-18.6	0	0	0	116.3	R566 S567	R566-N569 PolarHBondContact NH1-O 3.45Å; S567-N569 PolarHBondContact O-N 3.04Å
570	K	85.9	Confident	87.8	Confident	130 Å²	130	61.1 Å²	61.1	57%	0.565	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.9	176.1	-64.1	-176.6	-179.8	-178.9	0	111.2	R566 S567 G568 C572 G573	R566-K570 VanDerWaalsContact CA-O 3.22Å; R566-K570 WeakPolarHBondContact CA-O 3.45Å; S567-K570 PolarHBondContact N-O 3.16Å; S567-K570 PolarHBondContact O-N 3.48Å; G568-K570 PolarHBondContact O-N 2.88Å; G568-K570 VanDerWaalsContact O-N 3.17Å; K570-C572 PolarHBondContact O-N 3.17Å; K570-G573 PolarHBondContact O-N 3.36Å
571	L	87.8	Confident	87.8	Confident	50 Å²	50	66.9 Å²	66.9	26%	0.262	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	126.3	172.5	-167.5	70.6	0	0	0	109.5	N561 F562 C564 R566 G573 G574 C578	N561-L571 WeakPolarHBondContact O-CD2 3.23Å; F562-L571 WeakPolarHBondContact O-CD1 3.11Å; C564-L571 HydrophobicContact CB-CD1 3.73Å; C564-L571 HydrophobicContact CB-CG 4.33Å; C564-L571 WeakPolarHBondContact O-CD1 3.26Å; R566-L571 HydrophobicContact CG-CD1 4.3Å; L571-G573 PolarHBondContact O-N 3.24Å; L571-G573 VanDerWaalsContact O-N 3.14Å; L571-G574 PolarHBondContact O-N 3.46Å; L571-G574 VanDerWaalsContact O-N 3.07Å; L571-C578 HydrophobicContact CD2-CB 3.75Å; L571-C578 HydrophobicContact CG-CB 4.2Å
572	C	91	Very high	88	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	50.2	37.1	-175.3	-54.8	0	0	0	0	113.5	D565 K570 G574 H575 C583 A593 C594	D565-C572 PolarHBondContact O-N 2.99Å; K570-C572 PolarHBondContact O-N 3.17Å; C572-G574 PolarHBondContact O-N 3.1Å; C572-H575 PolarHBondContact O-N 2.84Å; C572-C583 WeakPolarHBondContact CA-SG 3.31Å; C572-C583 HydrophobicContact CB-CB 3.67Å; C572-C583 WeakPolarHBondContact CB-SG 2.93Å; C572-C583 WeakPolarHBondContact SG-CA 2.91Å; C572-C583 WeakPolarHBondContact SG-CB 3.19Å; C572-C583 CovalentContact SG-SG 2.04Å; C572-C583 PolarHBondContact SG-SG 2.89Å; C572-A593 CarbonylContact C-O 3.59Å; C572-A593 WeakPolarHBondContact CA-O 3.45Å; C572-C594 WeakPolarHBondContact O-CB 3.35Å
573	G	85.6	Confident	88.1	Confident	11 Å²	11	72.5 Å²	72.5	11%	0.113	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	65.1	0.1	178.6	0	0	0	0	0	114.8	K570 L571 H575 A593	K570-G573 PolarHBondContact O-N 3.36Å; L571-G573 PolarHBondContact O-N 3.24Å; L571-G573 VanDerWaalsContact O-N 3.14Å; G573-H575 VanDerWaalsContact C-N 3.27Å; G573-H575 PolarHBondContact O-CD2 3.23Å; G573-A593 PolarHBondContact N-O 2.91Å
574	G	86.7	Confident	88.3	Confident	47 Å²	47	71.3 Å²	71.3	49%	0.485	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	75.4	12.1	-167.2	0	0	0	0	0	114.5	L571 C572	L571-G574 PolarHBondContact O-N 3.46Å; L571-G574 VanDerWaalsContact O-N 3.07Å; C572-G574 PolarHBondContact O-N 3.1Å
575	H	88.6	Confident	88.3	Confident	66 Å²	66	72.5 Å²	72.5	31%	0.306	39%	0.386	S	S	.	.	S	Bend	trans	-128.5	34.8	-175.8	-59	-57.5	0	0	0	111.6	C572 G573 D586 W589	C572-H575 PolarHBondContact O-N 2.84Å; G573-H575 VanDerWaalsContact C-N 3.27Å; G573-H575 PolarHBondContact O-CD2 3.23Å; H575-D586 WeakPolarHBondContact CA-OD2 3.44Å; H575-D586 WeakPolarHBondContact O-CB 3.28Å; H575-D586 PolarHBondContact O-N 3.21Å; H575-W589 HydrophobicContact CB-CB 4.29Å; H575-W589 HydrophobicContact CB-CD2 3.63Å; H575-W589 HydrophobicContact CB-CE3 4.11Å; H575-W589 HydrophobicContact CB-CG 3.69Å; H575-W589 AromaticContact CD2-CD2 3.89Å; H575-W589 AromaticContact CD2-CE2 3.75Å; H575-W589 AromaticContact CD2-CE3 3.77Å; H575-W589 AromaticContact CD2-CH2 3.4Å; H575-W589 WeakPolarHBondContact CD2-CH2 3.41Å; H575-W589 AromaticContact CD2-CZ2 3.52Å; H575-W589 AromaticContact CD2-CZ3 3.53Å; H575-W589 AromaticContact CE1-CZ2 3.65Å; H575-W589 AromaticContact CG-CD2 3.7Å; H575-W589 AromaticContact CG-CE2 3.51Å; H575-W589 AromaticContact CG-CZ2 3.71Å; H575-W589 AromaticContact CG-NE1 3.91Å; H575-W589 AromaticContact ND1-CE2 3.77Å; H575-W589 AromaticContact ND1-CZ2 3.79Å; H575-W589 AromaticContact ND1-NE1 3.93Å; H575-W589 AromaticContact NE2-CH2 3.44Å; H575-W589 WeakPolarHBondContact NE2-CH2 3.43Å; H575-W589 AromaticContact NE2-CZ2 3.51Å
576	G	87.9	Confident	88.2	Confident	20 Å²	20	72 Å²	72	21%	0.206	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	170.1	179	0	0	0	0	0	111.4	I584 D586	G576-I584 CarbonylContact C-O 3.56Å; G576-I584 WeakPolarHBondContact CA-O 3.43Å; G576-D586 PolarHBondContact N-OD2 2.03Å
577	R	88.4	Confident	87.9	Confident	137 Å²	137	70.7 Å²	70.7	52%	0.517	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.5	177.6	63.3	-173.6	-169.8	-95.3	-3	111.1	E579 I584	R577-E579 HydrophobicContact CG-CG 4.42Å; R577-E579 IonicContact CZ-OE1 3.09Å; R577-E579 IonicContact NE-OE1 3.49Å; R577-E579 PolarHBondContact NE-OE1 3.27Å; R577-E579 IonicContact NH2-OE1 3.17Å; R577-E579 PolarHBondContact NH2-OE1 3.22Å; R577-I584 HydrophobicContact CG-CB 3.94Å; R577-I584 PolarHBondContact N-O 3.02Å; R577-I584 PolarHBondContact O-N 3.47Å
578	C	88.8	Confident	87.8	Confident	17 Å²	17	73.8 Å²	73.8	12%	0.115	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.4	177	-177.8	0	0	0	0	110	N561 C564 L571	N561-C578 VanDerWaalsContact O-CB 3.27Å; N561-C578 WeakPolarHBondContact O-CB 3.43Å; N561-C578 PolarHBondContact O-SG 3.34Å; N561-C578 VanDerWaalsContact O-SG 3.35Å; C564-C578 HydrophobicContact CB-CB 3.77Å; C564-C578 WeakPolarHBondContact CB-SG 3Å; C564-C578 WeakPolarHBondContact SG-CA 3.38Å; C564-C578 WeakPolarHBondContact SG-CB 3.01Å; C564-C578 CovalentContact SG-SG 2.01Å; C564-C578 PolarHBondContact SG-SG 3.07Å; L571-C578 HydrophobicContact CD2-CB 3.75Å; L571-C578 HydrophobicContact CG-CB 4.2Å
579	E	87	Confident	88	Confident	96 Å²	96	73.8 Å²	73.8	45%	0.449	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113	174.1	-71	-174.9	-167	0	0	109.4	R577 R581 K582 I584	R577-E579 HydrophobicContact CG-CG 4.42Å; R577-E579 IonicContact CZ-OE1 3.09Å; R577-E579 IonicContact NE-OE1 3.49Å; R577-E579 PolarHBondContact NE-OE1 3.27Å; R577-E579 IonicContact NH2-OE1 3.17Å; R577-E579 PolarHBondContact NH2-OE1 3.22Å; E579-R581 PolarHBondContact O-N 3.5Å; E579-K582 PolarHBondContact N-O 3.18Å; E579-K582 PolarHBondContact O-N 3.21Å; E579-I584 HydrophobicContact CB-CG1 4.04Å; E579-I584 HydrophobicContact CG-CG1 4.14Å
580	C	88.7	Confident	88.2	Confident	61 Å²	61	71.3 Å²	71.3	41%	0.412	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	59.3	-179.6	-168.1	0	0	0	0	112.9	C559 D560 K582	C559-C580 VanDerWaalsContact CA-SG 3.58Å; C559-C580 HydrophobicContact CB-CB 3.61Å; C559-C580 WeakPolarHBondContact CB-SG 3.47Å; C559-C580 WeakPolarHBondContact SG-CB 3.13Å; C559-C580 CovalentContact SG-SG 2.04Å; C559-C580 PolarHBondContact SG-SG 3.36Å; D560-C580 WeakPolarHBondContact O-CA 3.19Å; D560-C580 PolarHBondContact O-N 2.93Å; C580-K582 PolarHBondContact O-N 3.16Å; C580-K582 VanDerWaalsContact O-N 3.14Å
581	R	88.9	Confident	88.3	Confident	120 Å²	120	66.5 Å²	66.5	45%	0.453	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	13	179.3	-51.4	179.2	-179.8	157.7	7	115.9	E558 D560 N563 C564 E579	E558-R581 PolarHBondContact O-NH2 2.86Å; D560-R581 PolarHBondContact O-N 2.94Å; D560-R581 VanDerWaalsContact O-N 3.08Å; D560-R581 IonicContact OD2-CZ 3.36Å; D560-R581 IonicContact OD2-NE 2.73Å; D560-R581 PolarHBondContact OD2-NE 3Å; D560-R581 IonicContact OD2-NH2 3.08Å; D560-R581 PolarHBondContact OD2-NH2 2.03Å; D560-R581 VanDerWaalsContact OD2-NH2 3.08Å; N563-R581 HydrophobicContact CB-CG 4.34Å; C564-R581 WeakPolarHBondContact SG-CA 3.42Å; E579-R581 PolarHBondContact O-N 3.5Å
582	K	91.3	Very high	88.4	Confident	153 Å²	153	69.3 Å²	69.3	67%	0.665	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.2	172.1	-66	-178.1	-179	177.9	0	110.8	C564 E579 C580	C564-K582 PolarHBondContact SG-N 2.88Å; C564-K582 PolarHBondContact SG-O 3.39Å; E579-K582 PolarHBondContact N-O 3.18Å; E579-K582 PolarHBondContact O-N 3.21Å; C580-K582 PolarHBondContact O-N 3.16Å; C580-K582 VanDerWaalsContact O-N 3.14Å
583	C	91.1	Very high	88.3	Confident	21 Å²	21	69.7 Å²	69.7	14%	0.142	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	123	172.9	-68.8	0	0	0	0	110.7	C564 C572 T592 C594	C564-C583 VanDerWaalsContact CB-SG 3.54Å; C572-C583 WeakPolarHBondContact CA-SG 3.31Å; C572-C583 HydrophobicContact CB-CB 3.67Å; C572-C583 WeakPolarHBondContact CB-SG 2.93Å; C572-C583 WeakPolarHBondContact SG-CA 2.91Å; C572-C583 WeakPolarHBondContact SG-CB 3.19Å; C572-C583 CovalentContact SG-SG 2.04Å; C572-C583 PolarHBondContact SG-SG 2.89Å; C583-T592 WeakPolarHBondContact CB-O 3.28Å; C583-C594 VanDerWaalsContact CB-SG 3.53Å
584	I	92.1	Very high	88.6	Confident	64 Å²	64	69.1 Å²	69.1	33%	0.328	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	102.6	168.7	-52.2	-57.2	0	0	0	106.9	G576 R577 E579	G576-I584 CarbonylContact C-O 3.56Å; G576-I584 WeakPolarHBondContact CA-O 3.43Å; R577-I584 HydrophobicContact CG-CB 3.94Å; R577-I584 PolarHBondContact N-O 3.02Å; R577-I584 PolarHBondContact O-N 3.47Å; E579-I584 HydrophobicContact CB-CG1 4.04Å; E579-I584 HydrophobicContact CG-CG1 4.14Å
585	C	90.8	Very high	88.7	Confident	36 Å²	36	70.8 Å²	70.8	24%	0.243	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	146.5	-174.6	-52.1	0	0	0	0	112.5	W589 G591 C594	C585-W589 HydrophobicContact CB-CB 4.15Å; C585-W589 WeakPolarHBondContact CB-O 3.45Å; C585-G591 PolarHBondContact SG-O 2.77Å; C585-C594 WeakPolarHBondContact CA-SG 3.06Å; C585-C594 HydrophobicContact CB-CB 3.73Å; C585-C594 WeakPolarHBondContact CB-SG 3.06Å; C585-C594 PolarHBondContact N-SG 3.06Å; C585-C594 WeakPolarHBondContact SG-CA 3.32Å; C585-C594 WeakPolarHBondContact SG-CB 3.41Å; C585-C594 CovalentContact SG-SG 2.03Å; C585-C594 PolarHBondContact SG-SG 3.4Å
586	D	88.1	Confident	88.7	Confident	71 Å²	71	68.8 Å²	68.8	38%	0.38	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-66.1	158.6	170.2	-66.3	-32.4	0	0	0	110.5	H575 G576 M588 W589	H575-D586 WeakPolarHBondContact CA-OD2 3.44Å; H575-D586 WeakPolarHBondContact O-CB 3.28Å; H575-D586 PolarHBondContact O-N 3.21Å; G576-D586 PolarHBondContact N-OD2 2.03Å; D586-M588 PolarHBondContact O-N 3.18Å; D586-W589 PolarHBondContact O-N 3.06Å; D586-W589 VanDerWaalsContact O-N 3.12Å
587	P	84.5	Confident	88.5	Confident	121 Å²	121	68.9 Å²	68.9	79%	0.786	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	138.8	173.9	-24.6	34.1	0	0	0	111.3
588	M	84.1	Confident	88.2	Confident	107 Å²	107	66.9 Å²	66.9	53%	0.527	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	7.7	-174.9	-58.6	-62.3	-56.1	0	0	116.7	D586 L598 D599	D586-M588 PolarHBondContact O-N 3.18Å; M588-L598 HydrophobicContact CE-CB 3.76Å; M588-L598 WeakPolarHBondContact CE-O 3.34Å; M588-L598 PolarHBondContact O-N 2.85Å; M588-D599 HydrophobicContact CE-CB 4.43Å
589	W	88.1	Confident	87.9	Confident	72 Å²	72	69.4 Å²	69.4	27%	0.273	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.5	174.1	-65.3	86.8	0	0	0	111.7	H575 C585 D586 C594 C596	H575-W589 HydrophobicContact CB-CB 4.29Å; H575-W589 HydrophobicContact CB-CD2 3.63Å; H575-W589 HydrophobicContact CB-CE3 4.11Å; H575-W589 HydrophobicContact CB-CG 3.69Å; H575-W589 AromaticContact CD2-CD2 3.89Å; H575-W589 AromaticContact CD2-CE2 3.75Å; H575-W589 AromaticContact CD2-CE3 3.77Å; H575-W589 AromaticContact CD2-CH2 3.4Å; H575-W589 WeakPolarHBondContact CD2-CH2 3.41Å; H575-W589 AromaticContact CD2-CZ2 3.52Å; H575-W589 AromaticContact CD2-CZ3 3.53Å; H575-W589 AromaticContact CE1-CZ2 3.65Å; H575-W589 AromaticContact CG-CD2 3.7Å; H575-W589 AromaticContact CG-CE2 3.51Å; H575-W589 AromaticContact CG-CZ2 3.71Å; H575-W589 AromaticContact CG-NE1 3.91Å; H575-W589 AromaticContact ND1-CE2 3.77Å; H575-W589 AromaticContact ND1-CZ2 3.79Å; H575-W589 AromaticContact ND1-NE1 3.93Å; H575-W589 AromaticContact NE2-CH2 3.44Å; H575-W589 WeakPolarHBondContact NE2-CH2 3.43Å; H575-W589 AromaticContact NE2-CZ2 3.51Å; C585-W589 HydrophobicContact CB-CB 4.15Å; C585-W589 WeakPolarHBondContact CB-O 3.45Å; D586-W589 PolarHBondContact O-N 3.06Å; D586-W589 VanDerWaalsContact O-N 3.12Å; W589-C594 VanDerWaalsContact CE3-O 3.31Å; W589-C596 CarbonylContact C-O 3.44Å; W589-C596 WeakPolarHBondContact CA-O 3.02Å
590	N	87.6	Confident	87.7	Confident	97 Å²	97	70.5 Å²	70.5	52%	0.519	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	177.8	177.8	-162.9	6.3	0	0	0	110.4	C594 D595 C596 L598	N590-C594 CarbonylContact O-C 3.27Å; N590-C594 WeakPolarHBondContact O-CA 2.98Å; N590-D595 PolarHBondContact O-N 3.32Å; N590-C596 PolarHBondContact N-O 3.45Å; N590-C596 VanDerWaalsContact O-CB 3.28Å; N590-C596 WeakPolarHBondContact O-CB 3.48Å; N590-C596 PolarHBondContact O-N 3.17Å; N590-L598 HydrophobicContact CB-CD2 4.46Å
591	G	87.3	Confident	87.4	Confident	30 Å²	30	70.9 Å²	70.9	31%	0.309	38%	0.382	S	S	.	.	S	Bend	trans	99.2	157.8	-174.2	0	0	0	0	0	111.4	C585 A593 C594	C585-G591 PolarHBondContact SG-O 2.77Å; G591-A593 PolarHBondContact O-N 2.97Å; G591-C594 PolarHBondContact O-N 3.25Å; G591-C594 VanDerWaalsContact O-N 3.09Å
592	T	89.2	Confident	87.1	Confident	108 Å²	108	68.7 Å²	68.7	66%	0.663	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.5	-177.3	64.9	0	0	0	0	112.3	D565 C583	D565-T592 WeakPolarHBondContact OD2-CB 3Å; D565-T592 PolarHBondContact OD2-OG1 3.23Å; C583-T592 WeakPolarHBondContact CB-O 3.28Å
593	A	90.6	Very high	86.8	Confident	8 Å²	8	61.5 Å²	61.5	7%	0.066	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	10.8	174.1	0	0	0	0	0	113.7	D565 C572 G573 G591 D595	D565-A593 HydrophobicContact CB-CB 3.73Å; C572-A593 CarbonylContact C-O 3.59Å; C572-A593 WeakPolarHBondContact CA-O 3.45Å; G573-A593 PolarHBondContact N-O 2.91Å; G591-A593 PolarHBondContact O-N 2.97Å; A593-D595 HydrophobicContact CB-CB 4.46Å; A593-D595 PolarHBondContact O-N 2.01Å
594	C	91.8	Very high	86.6	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.363	C	S	.	.	S	Bend	trans	50.7	38.3	-174.6	-52.1	0	0	0	0	114.3	C572 C583 C585 W589 N590 G591	C572-C594 WeakPolarHBondContact O-CB 3.35Å; C583-C594 VanDerWaalsContact CB-SG 3.53Å; C585-C594 WeakPolarHBondContact CA-SG 3.06Å; C585-C594 HydrophobicContact CB-CB 3.73Å; C585-C594 WeakPolarHBondContact CB-SG 3.06Å; C585-C594 PolarHBondContact N-SG 3.06Å; C585-C594 WeakPolarHBondContact SG-CA 3.32Å; C585-C594 WeakPolarHBondContact SG-CB 3.41Å; C585-C594 CovalentContact SG-SG 2.03Å; C585-C594 PolarHBondContact SG-SG 3.4Å; W589-C594 VanDerWaalsContact CE3-O 3.31Å; N590-C594 CarbonylContact O-C 3.27Å; N590-C594 WeakPolarHBondContact O-CA 2.98Å; G591-C594 PolarHBondContact O-N 3.25Å; G591-C594 VanDerWaalsContact O-N 3.09Å
595	D	87.9	Confident	86.1	Confident	81 Å²	81	61.4 Å²	61.4	43%	0.433	35%	0.35	S	S	.	.			trans	-99.2	-11.8	-174.5	62.8	-38.3	0	0	0	113.4	S567 N590 A593	S567-D595 WeakPolarHBondContact OG-CB 2.98Å; N590-D595 PolarHBondContact O-N 3.32Å; A593-D595 HydrophobicContact CB-CB 4.46Å; A593-D595 PolarHBondContact O-N 2.01Å
596	C	88	Confident	85.7	Confident	25 Å²	25	66 Å²	66	17%	0.169	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	108.1	-179.8	-171.9	0	0	0	0	110.7	W589 N590 C619	W589-C596 CarbonylContact C-O 3.44Å; W589-C596 WeakPolarHBondContact CA-O 3.02Å; N590-C596 PolarHBondContact N-O 3.45Å; N590-C596 VanDerWaalsContact O-CB 3.28Å; N590-C596 WeakPolarHBondContact O-CB 3.48Å; N590-C596 PolarHBondContact O-N 3.17Å; C596-C619 HydrophobicContact CB-CB 3.85Å; C596-C619 WeakPolarHBondContact CB-SG 2.92Å; C596-C619 WeakPolarHBondContact SG-CA 3.43Å; C596-C619 WeakPolarHBondContact SG-CB 3.22Å; C596-C619 CovalentContact SG-SG 2.04Å; C596-C619 PolarHBondContact SG-SG 3.44Å
597	S	84.3	Confident	85.2	Confident	21 Å²	21	66.1 Å²	66.1	15%	0.147	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.3	171.4	-171	0	0	0	0	110.8	D599 C619	S597-D599 VanDerWaalsContact C-N 3.29Å; S597-D599 PolarHBondContact OG-N 2.9Å; S597-C619 CarbonylContact O-C 3.46Å; S597-C619 WeakPolarHBondContact O-CA 3.47Å
598	L	82.7	Confident	85.1	Confident	96 Å²	96	69.1 Å²	69.1	50%	0.503	38%	0.384	S	S	.	.			trans	-88.2	2.9	171.7	-61.1	175.5	0	0	0	112.4	M588 N590	M588-L598 HydrophobicContact CE-CB 3.76Å; M588-L598 WeakPolarHBondContact CE-O 3.34Å; M588-L598 PolarHBondContact O-N 2.85Å; N590-L598 HydrophobicContact CB-CD2 4.46Å
599	D	82.6	Confident	85	Confident	70 Å²	70	68.8 Å²	68.8	37%	0.374	38%	0.381	S	S	.	.			trans	-82.9	122.9	176	-175	12.2	0	0	0	111.2	M588 S597 S601	M588-D599 HydrophobicContact CE-CB 4.43Å; S597-D599 VanDerWaalsContact C-N 3.29Å; S597-D599 PolarHBondContact OG-N 2.9Å; D599-S601 WeakPolarHBondContact OD1-CB 3.47Å; D599-S601 PolarHBondContact OD1-N 2.95Å; D599-S601 PolarHBondContact OD1-OG 3.32Å; D599-S601 PolarHBondContact OD2-OG 3.44Å
600	E	82.2	Confident	84.8	Confident	119 Å²	119	67.9 Å²	67.9	56%	0.556	38%	0.381	S	S	*	.			trans	-89.2	-5.5	178.4	-62.8	-173.2	165.1	0	0	113.1	T602 C603 I610	E600-T602 PolarHBondContact O-N 3.37Å; E600-C603 WeakPolarHBondContact O-CB 3.46Å; E600-C603 PolarHBondContact O-N 3.33Å; E600-I610 HydrophobicContact CB-CD1 4.26Å
601	S	82.9	Confident	84.8	Confident	69 Å²	69	63.3 Å²	63.3	48%	0.483	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-58.2	-34.6	-176	75.6	0	0	0	0	112.9	D599 C603 L604	D599-S601 WeakPolarHBondContact OD1-CB 3.47Å; D599-S601 PolarHBondContact OD1-N 2.95Å; D599-S601 PolarHBondContact OD1-OG 3.32Å; D599-S601 PolarHBondContact OD2-OG 3.44Å; S601-C603 VanDerWaalsContact C-N 3.26Å; S601-C603 PolarHBondContact O-N 3.3Å; S601-L604 WeakPolarHBondContact O-CB 3.44Å; S601-L604 PolarHBondContact O-N 3.4Å
602	T	81.4	Confident	84.6	Confident	74 Å²	74	63.4 Å²	63.4	45%	0.454	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-66.6	-27.7	179	56.1	0	0	0	0	112.6	E600 G620 K633	E600-T602 PolarHBondContact O-N 3.37Å; T602-G620 VanDerWaalsContact OG1-CA 3.31Å; T602-G620 WeakPolarHBondContact OG1-CA 3Å; T602-G620 PolarHBondContact OG1-O 3.19Å; T602-K633 WeakPolarHBondContact O-CE 3.43Å; T602-K633 PolarHBondContact O-NZ 2.01Å
603	C	86.1	Confident	84.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-86.9	-7.1	179.8	-67.9	0	0	0	0	113.9	E600 S601 A605 I610 C611 C617	E600-C603 WeakPolarHBondContact O-CB 3.46Å; E600-C603 PolarHBondContact O-N 3.33Å; S601-C603 VanDerWaalsContact C-N 3.26Å; S601-C603 PolarHBondContact O-N 3.3Å; C603-A605 PolarHBondContact O-N 2.04Å; C603-I610 HydrophobicContact CB-CD1 4.39Å; C603-I610 HydrophobicContact CB-CG2 4.09Å; C603-C611 PolarHBondContact O-N 3.11Å; C603-C617 HydrophobicContact CB-CB 3.51Å; C603-C617 WeakPolarHBondContact CB-SG 3.35Å; C603-C617 WeakPolarHBondContact SG-CB 3.32Å; C603-C617 CovalentContact SG-SG 2.03Å; C603-C617 PolarHBondContact SG-SG 3.23Å
604	L	87	Confident	84.1	Confident	77 Å²	77	66 Å²	66	40%	0.403	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-75.3	118.3	-177.8	-169.7	69.5	0	0	0	111.5	S601 I610 K633	S601-L604 WeakPolarHBondContact O-CB 3.44Å; S601-L604 PolarHBondContact O-N 3.4Å; L604-I610 HydrophobicContact CB-CD1 4.34Å; L604-I610 HydrophobicContact CD1-CD1 4.03Å; L604-K633 WeakPolarHBondContact O-CD 2.99Å; L604-K633 PolarHBondContact O-NZ 3.49Å
605	A	81.9	Confident	83.9	Confident	6 Å²	6	66.6 Å²	66.6	5%	0.05	37%	0.369	C	S	.	.			trans	-85.3	168.1	180	0	0	0	0	0	113.2	C603 N607 K608 Q609 N612 K633	C603-A605 PolarHBondContact O-N 2.04Å; A605-N607 WeakPolarHBondContact CB-OD1 3.05Å; A605-N607 PolarHBondContact O-N 2.96Å; A605-N607 VanDerWaalsContact O-N 3.11Å; A605-K608 WeakPolarHBondContact O-CA 3.35Å; A605-K608 PolarHBondContact O-N 2.04Å; A605-Q609 WeakPolarHBondContact CB-O 3.27Å; A605-Q609 PolarHBondContact N-O 3.14Å; A605-N612 HydrophobicContact CB-CB 4.29Å; A605-N612 VanDerWaalsContact CB-CG 3.42Å; A605-N612 WeakPolarHBondContact CB-ND2 3.15Å; A605-N612 WeakPolarHBondContact CB-OD1 3.05Å; A605-K633 HydrophobicContact CB-CB 4.2Å; A605-K633 HydrophobicContact CB-CD 4.15Å
606	S	81.6	Confident	84	Confident	134 Å²	134	70.4 Å²	70.4	94%	0.937	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24	-178.5	-52.1	0	0	0	0	113.7	K608	S606-K608 PolarHBondContact O-N 2.85Å
607	N	77.6	Confident	84	Confident	73 Å²	73	70.6 Å²	70.6	39%	0.39	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	8.7	173.4	71.7	-10.4	0	0	0	113.5	A605 Q609 N612	A605-N607 WeakPolarHBondContact CB-OD1 3.05Å; A605-N607 PolarHBondContact O-N 2.96Å; A605-N607 VanDerWaalsContact O-N 3.11Å; N607-Q609 PolarHBondContact ND2-OE1 3.23Å; N607-Q609 PolarHBondContact O-N 3.33Å; N607-Q609 WeakPolarHBondContact OD1-CB 3.45Å; N607-Q609 PolarHBondContact OD1-N 3.09Å; N607-N612 PolarHBondContact ND2-OD1 2.03Å; N607-N612 PolarHBondContact OD1-OD1 3.49Å
608	K	82.3	Confident	84.2	Confident	183 Å²	183	74.6 Å²	74.6	80%	0.796	40%	0.395	S	S	*	.	S	Bend	trans	62.3	21.1	-176.8	-54.7	-177.1	179.4	-178.9	0	114.7	A605 S606	A605-K608 WeakPolarHBondContact O-CA 3.35Å; A605-K608 PolarHBondContact O-N 2.04Å; S606-K608 PolarHBondContact O-N 2.85Å
609	Q	82.5	Confident	84.3	Confident	100 Å²	100	73.2 Å²	73.2	47%	0.467	39%	0.393	S	S	.	.	S	Bend	trans	-110.6	144.6	174.3	-62.4	-178.9	-28.7	0	0	110.4	A605 N607 C611 N612	A605-Q609 WeakPolarHBondContact CB-O 3.27Å; A605-Q609 PolarHBondContact N-O 3.14Å; N607-Q609 PolarHBondContact ND2-OE1 3.23Å; N607-Q609 PolarHBondContact O-N 3.33Å; N607-Q609 WeakPolarHBondContact OD1-CB 3.45Å; N607-Q609 PolarHBondContact OD1-N 3.09Å; Q609-C611 PolarHBondContact O-N 3.26Å; Q609-N612 PolarHBondContact O-N 3.47Å; Q609-N612 PolarHBondContact OE1-O 2.78Å
610	I	84.1	Confident	84.2	Confident	54 Å²	54	70.7 Å²	70.7	28%	0.277	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-63.3	124.2	172	-62.6	-62.5	0	0	0	108.3	E600 C603 L604 N612 G613 C617	E600-I610 HydrophobicContact CB-CD1 4.26Å; C603-I610 HydrophobicContact CB-CD1 4.39Å; C603-I610 HydrophobicContact CB-CG2 4.09Å; L604-I610 HydrophobicContact CB-CD1 4.34Å; L604-I610 HydrophobicContact CD1-CD1 4.03Å; I610-N612 PolarHBondContact O-N 3.48Å; I610-N612 VanDerWaalsContact O-N 3.17Å; I610-G613 PolarHBondContact O-N 2.99Å; I610-C617 HydrophobicContact CG2-CB 3.79Å
611	C	86.3	Confident	84.4	Confident	0 Å²	0	69 Å²	69	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	52.3	39.3	179	-49.3	0	0	0	0	114	C603 Q609 G613 R614 C622 K633	C603-C611 PolarHBondContact O-N 3.11Å; Q609-C611 PolarHBondContact O-N 3.26Å; C611-G613 PolarHBondContact O-N 3.23Å; C611-R614 PolarHBondContact O-N 3.29Å; C611-C622 WeakPolarHBondContact CA-SG 3.04Å; C611-C622 HydrophobicContact CB-CB 3.65Å; C611-C622 WeakPolarHBondContact CB-SG 3.35Å; C611-C622 WeakPolarHBondContact SG-CA 2.94Å; C611-C622 WeakPolarHBondContact SG-CB 3.17Å; C611-C622 CovalentContact SG-SG 2.03Å; C611-C622 PolarHBondContact SG-SG 3.15Å; C611-K633 CarbonylContact C-O 3.59Å; C611-K633 WeakPolarHBondContact CA-O 3.31Å
612	N	83.9	Confident	84.7	Confident	32 Å²	32	66.3 Å²	66.3	17%	0.171	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	54.7	20.3	-174.8	-77.8	-73.1	0	0	0	114.6	A605 N607 Q609 I610 R614 K633	A605-N612 HydrophobicContact CB-CB 4.29Å; A605-N612 VanDerWaalsContact CB-CG 3.42Å; A605-N612 WeakPolarHBondContact CB-ND2 3.15Å; A605-N612 WeakPolarHBondContact CB-OD1 3.05Å; N607-N612 PolarHBondContact ND2-OD1 2.03Å; N607-N612 PolarHBondContact OD1-OD1 3.49Å; Q609-N612 PolarHBondContact O-N 3.47Å; Q609-N612 PolarHBondContact OE1-O 2.78Å; I610-N612 PolarHBondContact O-N 3.48Å; I610-N612 VanDerWaalsContact O-N 3.17Å; N612-R614 VanDerWaalsContact C-N 3.25Å; N612-R614 PolarHBondContact O-N 3.22Å; N612-K633 PolarHBondContact N-O 2.03Å; N612-K633 PolarHBondContact ND2-O 3.41Å
613	G	84.3	Confident	85.1	Confident	56 Å²	56	68.5 Å²	68.5	58%	0.577	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	71.2	18.3	-174.9	0	0	0	0	0	113.9	I610 C611	I610-G613 PolarHBondContact O-N 2.99Å; C611-G613 PolarHBondContact O-N 3.23Å
614	R	84.6	Confident	85.2	Confident	115 Å²	115	70.4 Å²	70.4	43%	0.434	38%	0.378	S	S	.	.	S	Bend	trans	-126.3	18.4	-173	-61.4	174.8	-174.5	177.1	1.4	112.6	C611 N612 C624 D625 C634	C611-R614 PolarHBondContact O-N 3.29Å; N612-R614 VanDerWaalsContact C-N 3.25Å; N612-R614 PolarHBondContact O-N 3.22Å; R614-C624 WeakPolarHBondContact O-CA 3.44Å; R614-D625 PolarHBondContact O-N 2.96Å; R614-C634 HydrophobicContact CB-CB 4.29Å
615	G	88.4	Confident	85.1	Confident	12 Å²	12	71.6 Å²	71.6	12%	0.124	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	178.5	-177.9	0	0	0	0	0	112.9	K623 D625	G615-K623 CarbonylContact C-O 3.59Å; G615-K623 WeakPolarHBondContact CA-O 3.44Å; G615-D625 WeakPolarHBondContact CA-OD2 3.29Å; G615-D625 PolarHBondContact N-OD2 3.02Å
616	R	90.1	Very high	85	Confident	161 Å²	161	74.2 Å²	74.2	61%	0.608	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.9	178.2	-73.1	176.3	-92.4	178.1	-4.2	111.1	K623 D625	R616-K623 PolarHBondContact N-O 3.06Å; R616-K623 PolarHBondContact O-N 2.87Å; R616-D625 IonicContact CZ-OD1 3.27Å; R616-D625 IonicContact NE-OD1 3.43Å; R616-D625 PolarHBondContact NE-OD1 2.81Å; R616-D625 IonicContact NH2-OD1 2.69Å; R616-D625 PolarHBondContact NH2-OD1 3.45Å
617	C	88	Confident	84.7	Confident	29 Å²	29	75.8 Å²	75.8	20%	0.196	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	119	176.3	-171.3	0	0	0	0	109.8	C603 I610	C603-C617 HydrophobicContact CB-CB 3.51Å; C603-C617 WeakPolarHBondContact CB-SG 3.35Å; C603-C617 WeakPolarHBondContact SG-CB 3.32Å; C603-C617 CovalentContact SG-SG 2.03Å; C603-C617 PolarHBondContact SG-SG 3.23Å; I610-C617 HydrophobicContact CG2-CB 3.79Å
618	E	86.9	Confident	84.7	Confident	106 Å²	106	76.8 Å²	76.8	50%	0.495	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.1	175.7	-69.1	-179.7	179.7	0	0	108.5	G620 V621 K623	E618-G620 VanDerWaalsContact C-N 3.25Å; E618-G620 PolarHBondContact O-N 3.4Å; E618-V621 PolarHBondContact N-O 3.48Å; E618-V621 PolarHBondContact O-N 2.94Å; E618-K623 HydrophobicContact CB-CG 4.34Å; E618-K623 HydrophobicContact CG-CG 4.41Å
619	C	85.2	Confident	84.5	Confident	67 Å²	67	69.8 Å²	69.8	45%	0.453	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	39.4	-177.7	-57.8	0	0	0	0	113.9	C596 S597 V621	C596-C619 HydrophobicContact CB-CB 3.85Å; C596-C619 WeakPolarHBondContact CB-SG 2.92Å; C596-C619 WeakPolarHBondContact SG-CA 3.43Å; C596-C619 WeakPolarHBondContact SG-CB 3.22Å; C596-C619 CovalentContact SG-SG 2.04Å; C596-C619 PolarHBondContact SG-SG 3.44Å; S597-C619 CarbonylContact O-C 3.46Å; S597-C619 WeakPolarHBondContact O-CA 3.47Å; C619-V621 VanDerWaalsContact C-N 3.29Å; C619-V621 PolarHBondContact O-N 3.41Å
620	G	81.6	Confident	84.4	Confident	16 Å²	16	70.5 Å²	70.5	17%	0.165	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	11.3	-178.8	0	0	0	0	0	115.2	T602 E618	T602-G620 VanDerWaalsContact OG1-CA 3.31Å; T602-G620 WeakPolarHBondContact OG1-CA 3Å; T602-G620 PolarHBondContact OG1-O 3.19Å; E618-G620 VanDerWaalsContact C-N 3.25Å; E618-G620 PolarHBondContact O-N 3.4Å
621	V	86.4	Confident	84.2	Confident	85 Å²	85	69.5 Å²	69.5	52%	0.515	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.2	178.7	-176.9	0	0	0	0	111.1	E618 C619	E618-V621 PolarHBondContact N-O 3.48Å; E618-V621 PolarHBondContact O-N 2.94Å; C619-V621 VanDerWaalsContact C-N 3.29Å; C619-V621 PolarHBondContact O-N 3.41Å
622	C	88.5	Confident	84.1	Confident	12 Å²	12	74 Å²	74	8%	0.081	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.8	176.9	-74.4	0	0	0	0	113	C611 P632	C611-C622 WeakPolarHBondContact CA-SG 3.04Å; C611-C622 HydrophobicContact CB-CB 3.65Å; C611-C622 WeakPolarHBondContact CB-SG 3.35Å; C611-C622 WeakPolarHBondContact SG-CA 2.94Å; C611-C622 WeakPolarHBondContact SG-CB 3.17Å; C611-C622 CovalentContact SG-SG 2.03Å; C611-C622 PolarHBondContact SG-SG 3.15Å; C622-P632 VanDerWaalsContact CB-O 3.3Å; C622-P632 WeakPolarHBondContact CB-O 3.2Å
623	K	89.4	Confident	84.3	Confident	119 Å²	119	75.6 Å²	75.6	52%	0.517	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	106.5	166	-62.3	-64.4	-173.9	177.8	0	108.8	G615 R616 E618	G615-K623 CarbonylContact C-O 3.59Å; G615-K623 WeakPolarHBondContact CA-O 3.44Å; R616-K623 PolarHBondContact N-O 3.06Å; R616-K623 PolarHBondContact O-N 2.87Å; E618-K623 HydrophobicContact CB-CG 4.34Å; E618-K623 HydrophobicContact CG-CG 4.41Å
624	C	88.4	Confident	84.4	Confident	41 Å²	41	73 Å²	73	28%	0.277	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	134.6	-179.4	-48.4	0	0	0	0	111	R614 D626 C634	R614-C624 WeakPolarHBondContact O-CA 3.44Å; C624-D626 VanDerWaalsContact C-N 3.33Å; C624-C634 WeakPolarHBondContact CA-SG 3.32Å; C624-C634 HydrophobicContact CB-CB 3.91Å; C624-C634 WeakPolarHBondContact CB-SG 3.14Å; C624-C634 WeakPolarHBondContact SG-CA 3.38Å; C624-C634 WeakPolarHBondContact SG-CB 3.34Å; C624-C634 CovalentContact SG-SG 2.03Å; C624-C634 PolarHBondContact SG-SG 2.69Å
625	D	85.4	Confident	84.2	Confident	102 Å²	102	71.8 Å²	71.8	55%	0.545	38%	0.378	S	S	.	.	S	Bend	trans	-75.1	-22.9	-177.3	-67.8	-51.6	0	0	0	112.4	R614 G615 R616	R614-D625 PolarHBondContact O-N 2.96Å; G615-D625 WeakPolarHBondContact CA-OD2 3.29Å; G615-D625 PolarHBondContact N-OD2 3.02Å; R616-D625 IonicContact CZ-OD1 3.27Å; R616-D625 IonicContact NE-OD1 3.43Å; R616-D625 PolarHBondContact NE-OD1 2.81Å; R616-D625 IonicContact NH2-OD1 2.69Å; R616-D625 PolarHBondContact NH2-OD1 3.45Å
626	D	78.8	Confident	83.6	Confident	62 Å²	62	74.7 Å²	74.7	33%	0.332	39%	0.394	S	S	.	.	S	Bend	trans	-122.4	127.2	179	-173.9	-26.8	0	0	0	111	C624 K628 F629	C624-D626 VanDerWaalsContact C-N 3.33Å; D626-K628 PolarHBondContact O-N 2.02Å; D626-K628 VanDerWaalsContact O-N 3.13Å; D626-K628 WeakPolarHBondContact OD1-CD 3.27Å; D626-K628 VanDerWaalsContact OD1-CG 3.27Å; D626-K628 WeakPolarHBondContact OD1-CG 3.05Å; D626-K628 PolarHBondContact OD1-N 3.42Å; D626-K628 VanDerWaalsContact OD1-N 3.08Å; D626-K628 WeakPolarHBondContact OD2-CD 3.13Å; D626-K628 WeakPolarHBondContact OD2-CE 3.44Å; D626-K628 IonicContact OD2-NZ 2.6Å; D626-K628 PolarHBondContact OD2-NZ 3.07Å; D626-F629 HydrophobicContact CB-CD2 4.07Å; D626-F629 HydrophobicContact CB-CE2 4.5Å; D626-F629 PolarHBondContact O-N 3.05Å; D626-F629 VanDerWaalsContact O-N 3.08Å
627	L	76.3	Confident	82.8	Confident	166 Å²	166	68.7 Å²	68.7	87%	0.869	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.6	-174.3	-68.3	167.3	0	0	0	114.4	F629	L627-F629 VanDerWaalsContact C-N 3.26Å; L627-F629 PolarHBondContact O-N 3.48Å
628	K	76.6	Confident	81.7	Confident	95 Å²	95	71.8 Å²	71.8	41%	0.413	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.4	175.9	75	-159.7	179.7	-151.6	0	113.1	D626	D626-K628 PolarHBondContact O-N 2.02Å; D626-K628 VanDerWaalsContact O-N 3.13Å; D626-K628 WeakPolarHBondContact OD1-CD 3.27Å; D626-K628 VanDerWaalsContact OD1-CG 3.27Å; D626-K628 WeakPolarHBondContact OD1-CG 3.05Å; D626-K628 PolarHBondContact OD1-N 3.42Å; D626-K628 VanDerWaalsContact OD1-N 3.08Å; D626-K628 WeakPolarHBondContact OD2-CD 3.13Å; D626-K628 WeakPolarHBondContact OD2-CE 3.44Å; D626-K628 IonicContact OD2-NZ 2.6Å; D626-K628 PolarHBondContact OD2-NZ 3.07Å
629	F	78.4	Confident	80.5	Confident	35 Å²	35	72.1 Å²	72.1	15%	0.154	41%	0.405	C	S	.	.			trans	-97.5	131.4	176.9	-62.1	-69.1	0	0	0	110.4	D626 L627 C634 T636 C637	D626-F629 HydrophobicContact CB-CD2 4.07Å; D626-F629 HydrophobicContact CB-CE2 4.5Å; D626-F629 PolarHBondContact O-N 3.05Å; D626-F629 VanDerWaalsContact O-N 3.08Å; L627-F629 VanDerWaalsContact C-N 3.26Å; L627-F629 PolarHBondContact O-N 3.48Å; F629-C634 HydrophobicContact CB-CB 4.4Å; F629-T636 WeakPolarHBondContact CA-O 3.32Å; F629-C637 HydrophobicContact CD1-CB 3.78Å; F629-C637 HydrophobicContact CE1-CB 3.7Å
630	Q	80.6	Confident	79.5	Confident	115 Å²	115	73 Å²	73	54%	0.537	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-132.2	168.8	-179.5	-58.8	-179.1	11.4	0	0	109.2	E635 T636	Q630-E635 PolarHBondContact O-N 3.09Å; Q630-T636 VanDerWaalsContact C-OG1 3.24Å; Q630-T636 PolarHBondContact N-O 2.97Å; Q630-T636 PolarHBondContact O-N 3.17Å; Q630-T636 PolarHBondContact O-OG1 3.4Å
631	G	81.1	Confident	78.5	Confident	33 Å²	33	78.4 Å²	78.4	34%	0.34	44%	0.444	S	S	.	.	S	Bend	trans	109.3	160.4	-179.8	0	0	0	0	0	112.8	K633 C634	G631-K633 PolarHBondContact O-N 3.1Å; G631-C634 PolarHBondContact O-N 3.27Å; G631-C634 VanDerWaalsContact O-N 3.14Å
632	P	82.9	Confident	77.4	Confident	96 Å²	96	78 Å²	78	62%	0.623	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.2	-176.2	23	-35.7	0	0	0	114.1	C622 E635	C622-P632 VanDerWaalsContact CB-O 3.3Å; C622-P632 WeakPolarHBondContact CB-O 3.2Å; P632-E635 WeakPolarHBondContact CD-OE1 3.48Å; P632-E635 WeakPolarHBondContact CG-OE1 3.45Å
633	K	88.4	Confident	76.5	Confident	65 Å²	65	78.9 Å²	78.9	28%	0.283	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	21.5	177.6	-53.7	-173.1	-175.9	-170.3	0	112.5	T602 L604 A605 C611 N612 G631 E635	T602-K633 WeakPolarHBondContact O-CE 3.43Å; T602-K633 PolarHBondContact O-NZ 2.01Å; L604-K633 WeakPolarHBondContact O-CD 2.99Å; L604-K633 PolarHBondContact O-NZ 3.49Å; A605-K633 HydrophobicContact CB-CB 4.2Å; A605-K633 HydrophobicContact CB-CD 4.15Å; C611-K633 CarbonylContact C-O 3.59Å; C611-K633 WeakPolarHBondContact CA-O 3.31Å; N612-K633 PolarHBondContact N-O 2.03Å; N612-K633 PolarHBondContact ND2-O 3.41Å; G631-K633 PolarHBondContact O-N 3.1Å; K633-E635 WeakPolarHBondContact CA-OE2 3.16Å; K633-E635 PolarHBondContact N-OE2 2.74Å; K633-E635 PolarHBondContact O-N 2.92Å
634	C	85.8	Confident	75.8	Confident	0 Å²	0	74 Å²	74	0%	0	43%	0.434	C	S	.	.	S	Bend	trans	62.4	34.6	-179	-48.1	0	0	0	0	114.8	R614 C624 F629 G631	R614-C634 HydrophobicContact CB-CB 4.29Å; C624-C634 WeakPolarHBondContact CA-SG 3.32Å; C624-C634 HydrophobicContact CB-CB 3.91Å; C624-C634 WeakPolarHBondContact CB-SG 3.14Å; C624-C634 WeakPolarHBondContact SG-CA 3.38Å; C624-C634 WeakPolarHBondContact SG-CB 3.34Å; C624-C634 CovalentContact SG-SG 2.03Å; C624-C634 PolarHBondContact SG-SG 2.69Å; F629-C634 HydrophobicContact CB-CB 4.4Å; G631-C634 PolarHBondContact O-N 3.27Å; G631-C634 VanDerWaalsContact O-N 3.14Å
635	E	80.5	Confident	75.1	Confident	90 Å²	90	75.1 Å²	75.1	42%	0.421	45%	0.445	S	S	.	.			trans	-87.7	-26.3	-172	66.3	-88.1	-147	0	0	114.8	Q630 P632 K633	Q630-E635 PolarHBondContact O-N 3.09Å; P632-E635 WeakPolarHBondContact CD-OE1 3.48Å; P632-E635 WeakPolarHBondContact CG-OE1 3.45Å; K633-E635 WeakPolarHBondContact CA-OE2 3.16Å; K633-E635 PolarHBondContact N-OE2 2.74Å; K633-E635 PolarHBondContact O-N 2.92Å
636	T	75.8	Confident	74.8	Confident	73 Å²	73	76.6 Å²	76.6	45%	0.448	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-101.5	134.2	-170.4	27.6	0	0	0	0	112.3	F629 Q630	F629-T636 WeakPolarHBondContact CA-O 3.32Å; Q630-T636 VanDerWaalsContact C-OG1 3.24Å; Q630-T636 PolarHBondContact N-O 2.97Å; Q630-T636 PolarHBondContact O-N 3.17Å; Q630-T636 PolarHBondContact O-OG1 3.4Å
637	C	74.6	Confident	75.1	Confident	35 Å²	35	73.8 Å²	73.8	24%	0.236	43%	0.434	C	S	.	.			trans	-130.4	95.2	174.6	-170.3	0	0	0	0	110.4	F629 T639 C640	F629-C637 HydrophobicContact CD1-CB 3.78Å; F629-C637 HydrophobicContact CE1-CB 3.7Å; C637-T639 PolarHBondContact O-N 2.97Å; C637-C640 PolarHBondContact SG-SG 3.09Å
638	P	65.1	Low	75.4	Confident	95 Å²	95	68.2 Å²	68.2	62%	0.617	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.3	-175.7	-20.5	32.5	0	0	0	115
639	T	60.7	Low	75.8	Confident	112 Å²	112	66.3 Å²	66.3	69%	0.687	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	9	-171.7	47	0	0	0	0	114.7	C637	C637-T639 PolarHBondContact O-N 2.97Å
640	C	64.4	Low	76.2	Confident	87 Å²	87	64.8 Å²	64.8	59%	0.588	39%	0.391	S	S	*	.	S	Bend	trans	-91.1	141.2	174.9	-69.5	0	0	0	0	112.4	C637	C637-C640 PolarHBondContact SG-SG 3.09Å
641	P	59.9	Low	76.5	Confident	128 Å²	128	59.4 Å²	59.4	83%	0.831	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-60.8	147.5	177.7	-20.4	31	0	0	0	113.8
642	S	64.1	Low	76.7	Confident	77 Å²	77	58.4 Å²	58.4	54%	0.538	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-87.4	143.5	-179.6	75.1	0	0	0	0	112.7	C644 A645	S642-C644 PolarHBondContact O-N 3.14Å; S642-A645 PolarHBondContact O-N 3.05Å; S642-A645 VanDerWaalsContact O-N 3.1Å
643	A	68.3	Low	76.9	Confident	30 Å²	30	53.9 Å²	53.9	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-58.5	-19.9	-178.7	0	0	0	0	0	114.5	H647 Y710	A643-H647 PolarHBondContact O-CD2 3.22Å; A643-H647 PolarHBondContact O-N 3.22Å; A643-Y710 HydrophobicContact CB-CD1 4.45Å
644	C	76.4	Confident	76.8	Confident	18 Å²	18	54.8 Å²	54.8	12%	0.122	32%	0.324	C	S	.	.	H	α-helix	trans	-74	-34.9	176.5	-64.4	0	0	0	0	113.2	S642 E646 K648 C696 Y708	S642-C644 PolarHBondContact O-N 3.14Å; C644-E646 VanDerWaalsContact C-N 3.33Å; C644-K648 PolarHBondContact O-N 3.39Å; C644-C696 WeakPolarHBondContact CA-SG 3.18Å; C644-C696 HydrophobicContact CB-CB 3.72Å; C644-C696 WeakPolarHBondContact CB-SG 2.99Å; C644-C696 VanDerWaalsContact SG-CA 3.57Å; C644-C696 WeakPolarHBondContact SG-CB 3.3Å; C644-C696 CovalentContact SG-SG 2.04Å; C644-C696 PolarHBondContact SG-SG 3.14Å; C644-Y708 PolarHBondContact O-OH 3.38Å
645	A	73.8	Confident	76.8	Confident	63 Å²	63	55.6 Å²	55.6	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-71.2	-35.2	177.3	0	0	0	0	0	111.1	S642	S642-A645 PolarHBondContact O-N 3.05Å; S642-A645 VanDerWaalsContact O-N 3.1Å
646	E	78.9	Confident	76.9	Confident	134 Å²	134	53.6 Å²	53.6	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-67	-36.8	-177.7	-169.2	-177.3	157.4	0	0	113.1	C644	C644-E646 VanDerWaalsContact C-N 3.33Å
647	H	83.8	Confident	77.1	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-99.8	-10.7	-171.8	-59.2	-40.5	0	0	0	114.5	A643 D649 C650 V651 Y671 Y708 Y710	A643-H647 PolarHBondContact O-CD2 3.22Å; A643-H647 PolarHBondContact O-N 3.22Å; H647-D649 PolarHBondContact O-N 3.36Å; H647-C650 PolarHBondContact O-N 2.81Å; H647-V651 WeakPolarHBondContact O-CG2 3.27Å; H647-V651 PolarHBondContact O-N 2.87Å; H647-V651 VanDerWaalsContact O-N 3.08Å; H647-Y671 AromaticContact CE1-CE2 3.7Å; H647-Y671 AromaticContact ND1-CE2 3.59Å; H647-Y671 AromaticContact ND1-CZ 3.68Å; H647-Y671 PolarHBondContact ND1-OH 3.34Å; H647-Y708 HydrophobicContact CB-CE2 4.45Å; H647-Y710 AromaticContact CD2-CD2 3.55Å; H647-Y710 AromaticContact CD2-CE2 3.74Å; H647-Y710 AromaticContact CD2-CG 3.83Å; H647-Y710 AromaticContact NE2-CD2 3.86Å; H647-Y710 AromaticContact NE2-CE2 3.53Å; H647-Y710 AromaticContact NE2-CZ 3.63Å
648	K	83.8	Confident	77.3	Confident	48 Å²	48	56.8 Å²	56.8	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-49.5	-57.3	-176.8	177.3	-173.5	179.1	157.7	0	113.3	C644 C650 V651 E652 E698 K699 Y708	C644-K648 PolarHBondContact O-N 3.39Å; K648-C650 VanDerWaalsContact C-N 3.26Å; K648-C650 PolarHBondContact O-N 2.88Å; K648-V651 PolarHBondContact O-N 3.32Å; K648-V651 VanDerWaalsContact O-N 3.1Å; K648-E652 PolarHBondContact O-N 3.42Å; K648-E698 HydrophobicContact CB-CG 4.29Å; K648-E698 HydrophobicContact CD-CB 4.03Å; K648-E698 HydrophobicContact CD-CG 3.89Å; K648-E698 WeakPolarHBondContact CD-OE2 3.15Å; K648-E698 HydrophobicContact CG-CB 4.06Å; K648-E698 HydrophobicContact CG-CG 3.95Å; K648-E698 IonicContact NZ-OE2 3.94Å; K648-E698 PolarHBondContact NZ-OE2 3.06Å; K648-K699 VanDerWaalsContact CE-O 3.26Å; K648-K699 WeakPolarHBondContact CE-O 3.02Å; K648-K699 PolarHBondContact NZ-O 3.37Å; K648-Y708 PolarHBondContact N-OH 3.45Å
649	D	84.1	Confident	78	Confident	56 Å²	56	53.7 Å²	53.7	30%	0.299	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-32.8	-170.6	-59.8	-26.3	0	0	0	112.2	H647 C653 K661	H647-D649 PolarHBondContact O-N 3.36Å; D649-C653 VanDerWaalsContact O-CB 3.26Å; D649-C653 WeakPolarHBondContact O-CB 3.13Å; D649-C653 PolarHBondContact O-N 3.27Å; D649-K661 HydrophobicContact CB-CD 4.02Å; D649-K661 HydrophobicContact CB-CG 4.02Å
650	C	86.3	Confident	78.9	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-75.3	-32.5	176.4	-80.9	0	0	0	0	113	H647 K648 R654 C669 F672	H647-C650 PolarHBondContact O-N 2.81Å; K648-C650 VanDerWaalsContact C-N 3.26Å; K648-C650 PolarHBondContact O-N 2.88Å; C650-R654 WeakPolarHBondContact O-CB 3.07Å; C650-R654 PolarHBondContact O-N 3.45Å; C650-C669 WeakPolarHBondContact CA-SG 3.48Å; C650-C669 HydrophobicContact CB-CB 3.52Å; C650-C669 WeakPolarHBondContact CB-SG 3.03Å; C650-C669 VanDerWaalsContact SG-CA 3.6Å; C650-C669 WeakPolarHBondContact SG-CB 3.43Å; C650-C669 CovalentContact SG-SG 2.04Å; C650-C669 PolarHBondContact SG-SG 2.72Å; C650-F672 HydrophobicContact CB-CE1 3.74Å; C650-F672 HydrophobicContact CB-CZ 3.87Å
651	V	87.5	Confident	79.7	Confident	1 Å²	1	53 Å²	53	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-71.1	-44.8	175.8	173.3	0	0	0	0	110.6	H647 K648 M655 F672 Y708 V720 V722	H647-V651 WeakPolarHBondContact O-CG2 3.27Å; H647-V651 PolarHBondContact O-N 2.87Å; H647-V651 VanDerWaalsContact O-N 3.08Å; K648-V651 PolarHBondContact O-N 3.32Å; K648-V651 VanDerWaalsContact O-N 3.1Å; V651-M655 WeakPolarHBondContact O-CB 3.37Å; V651-M655 PolarHBondContact O-N 2.01Å; V651-F672 HydrophobicContact CG2-CE2 4.24Å; V651-F672 HydrophobicContact CG2-CZ 4.05Å; V651-Y708 HydrophobicContact CG1-CD1 4.05Å; V651-Y708 HydrophobicContact CG1-CG 3.99Å; V651-Y708 HydrophobicContact CG2-CD2 4.1Å; V651-Y708 HydrophobicContact CG2-CE2 4.17Å; V651-Y708 HydrophobicContact CG2-CG 4.4Å; V651-V720 HydrophobicContact CG2-CG1 3.77Å; V651-V722 HydrophobicContact CG1-CB 4.2Å; V651-V722 HydrophobicContact CG1-CG2 3.79Å
652	E	86.3	Confident	80.6	Confident	13 Å²	13	52.2 Å²	52.2	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-47.3	178.3	-173.1	178.3	174.4	0	0	111.3	K648 F656 I706	K648-E652 PolarHBondContact O-N 3.42Å; E652-F656 HydrophobicContact CG-CD2 4.49Å; E652-F656 PolarHBondContact O-N 3.42Å; E652-I706 HydrophobicContact CB-CD1 4.13Å; E652-I706 HydrophobicContact CG-CD1 3.81Å
653	C	86.3	Confident	81.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-63.3	-50.7	-179	180	0	0	0	0	113.7	D649 M655 L657 T658 K661 K662 C665	D649-C653 VanDerWaalsContact O-CB 3.26Å; D649-C653 WeakPolarHBondContact O-CB 3.13Å; D649-C653 PolarHBondContact O-N 3.27Å; C653-M655 VanDerWaalsContact C-N 3.29Å; C653-M655 PolarHBondContact O-N 3.35Å; C653-L657 VanDerWaalsContact O-CA 3.31Å; C653-L657 WeakPolarHBondContact O-CA 3.43Å; C653-L657 PolarHBondContact O-N 3.29Å; C653-L657 VanDerWaalsContact O-N 3.11Å; C653-T658 VanDerWaalsContact CA-O 3.23Å; C653-T658 WeakPolarHBondContact CA-O 3.43Å; C653-T658 PolarHBondContact N-O 2.97Å; C653-K661 HydrophobicContact CB-CB 4.31Å; C653-K661 VanDerWaalsContact SG-C 3.54Å; C653-K661 PolarHBondContact SG-O 3.45Å; C653-K662 WeakPolarHBondContact SG-CA 3.45Å; C653-C665 HydrophobicContact CB-CB 4.32Å; C653-C665 WeakPolarHBondContact CB-SG 3.45Å; C653-C665 WeakPolarHBondContact SG-CB 3.03Å; C653-C665 CovalentContact SG-SG 2.01Å; C653-C665 PolarHBondContact SG-SG 3.22Å
654	R	86.4	Confident	82.1	Confident	83 Å²	83	57.4 Å²	57.4	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-71.4	-22.6	-176.1	-73.5	-174.8	73.4	-176.9	5.1	113.4	C650 C665 C669 F672 M674	C650-R654 WeakPolarHBondContact O-CB 3.07Å; C650-R654 PolarHBondContact O-N 3.45Å; R654-C665 PolarHBondContact N-SG 3.26Å; R654-C669 WeakPolarHBondContact CD-O 3.35Å; R654-C669 HydrophobicContact CG-CB 4.15Å; R654-C669 PolarHBondContact NH1-O 3.24Å; R654-F672 PolarHBondContact NH1-O 3.17Å; R654-M674 HydrophobicContact CB-CE 3.41Å; R654-M674 VanDerWaalsContact CB-CE 3.41Å; R654-M674 HydrophobicContact CB-SD 3.91Å; R654-M674 HydrophobicContact CG-CE 4.48Å
655	M	85.4	Confident	82.4	Confident	18 Å²	18	57.3 Å²	57.3	9%	0.089	31%	0.308	C	S	.	.	H	α-helix	trans	-93.1	-50.1	-179.9	-81.6	-59.5	-65.1	0	0	114.7	V651 C653 M674 K676 V722	V651-M655 WeakPolarHBondContact O-CB 3.37Å; V651-M655 PolarHBondContact O-N 2.01Å; C653-M655 VanDerWaalsContact C-N 3.29Å; C653-M655 PolarHBondContact O-N 3.35Å; M655-M674 HydrophobicContact CB-SD 4.5Å; M655-M674 HydrophobicContact CG-CE 3.77Å; M655-M674 HydrophobicContact CG-CG 4.45Å; M655-M674 HydrophobicContact CG-SD 3.37Å; M655-M674 WeakPolarHBondContact CG-SD 3.05Å; M655-M674 HydrophobicContact SD-CE 4.46Å; M655-M674 HydrophobicContact SD-CG 4.06Å; M655-M674 HydrophobicContact SD-SD 3.3Å; M655-K676 HydrophobicContact CE-CD 3.74Å; M655-K676 HydrophobicContact CE-CG 3.73Å; M655-K676 HydrophobicContact SD-CD 4.15Å; M655-K676 HydrophobicContact SD-CG 3.87Å; M655-V722 HydrophobicContact CE-CG1 3.75Å; M655-V722 HydrophobicContact CE-CG2 4.45Å; M655-V722 HydrophobicContact CG-CB 4.16Å; M655-V722 HydrophobicContact CG-CG1 3.36Å; M655-V722 HydrophobicContact CG-CG2 3.79Å; M655-V722 HydrophobicContact SD-CG1 3.35Å; M655-V722 WeakPolarHBondContact SD-CG1 3.31Å
656	F	82.9	Confident	82.6	Confident	48 Å²	48	62.8 Å²	62.8	21%	0.211	32%	0.323	C	S	.	.	H	α-helix	trans	-106.8	-5.6	-168.1	-54.4	-66.2	0	0	0	112.1	E652 T658 I706 P726	E652-F656 HydrophobicContact CG-CD2 4.49Å; E652-F656 PolarHBondContact O-N 3.42Å; F656-T658 WeakPolarHBondContact CB-OG1 3.16Å; F656-T658 PolarHBondContact O-N 2.87Å; F656-I706 HydrophobicContact CD2-CD1 4.15Å; F656-I706 HydrophobicContact CE2-CD1 3.98Å; F656-I706 HydrophobicContact CE2-CG1 4.02Å; F656-I706 HydrophobicContact CE2-CG2 3.92Å; F656-P726 HydrophobicContact CD1-CG 4.33Å; F656-P726 HydrophobicContact CE1-CG 3.98Å; F656-P726 HydrophobicContact CZ-CG 4.22Å
657	L	80.6	Confident	82.7	Confident	119 Å²	119	64.8 Å²	64.8	62%	0.623	33%	0.332	S	S	*	.	S	Bend	trans	56.4	35.1	-175.4	-54.1	171.8	0	0	0	111.7	C653 K662	C653-L657 VanDerWaalsContact O-CA 3.31Å; C653-L657 WeakPolarHBondContact O-CA 3.43Å; C653-L657 PolarHBondContact O-N 3.29Å; C653-L657 VanDerWaalsContact O-N 3.11Å; L657-K662 WeakPolarHBondContact O-CD 3.41Å; L657-K662 WeakPolarHBondContact O-CE 3.26Å; L657-K662 PolarHBondContact O-NZ 3.3Å
658	T	78.6	Confident	82.6	Confident	55 Å²	55	69.4 Å²	69.4	34%	0.337	35%	0.354	S	S	.	.			trans	-130.7	175	179.6	57.5	0	0	0	0	110.7	C653 F656	C653-T658 VanDerWaalsContact CA-O 3.23Å; C653-T658 WeakPolarHBondContact CA-O 3.43Å; C653-T658 PolarHBondContact N-O 2.97Å; F656-T658 WeakPolarHBondContact CB-OG1 3.16Å; F656-T658 PolarHBondContact O-N 2.87Å
659	G	79.7	Confident	82.6	Confident	31 Å²	31	67.2 Å²	67.2	32%	0.32	34%	0.344	S	S	.	.	S	Bend	trans	92.7	177.1	177.8	0	0	0	0	0	114.5	K661 K662	G659-K661 VanDerWaalsContact C-N 3.31Å; G659-K661 PolarHBondContact O-N 2.79Å; G659-K662 WeakPolarHBondContact O-CB 3.5Å; G659-K662 PolarHBondContact O-N 2.79Å
660	V	80.4	Confident	82.5	Confident	129 Å²	129	70.2 Å²	70.2	78%	0.782	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.9	-169.1	-173.7	0	0	0	0	112.8
661	K	80.8	Confident	82.4	Confident	56 Å²	56	74.2 Å²	74.2	24%	0.243	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	12.2	-178.8	-68.4	-164.8	175.1	-143.2	0	114.5	D649 C653 G659 D663 V664 C665 E668	D649-K661 HydrophobicContact CB-CD 4.02Å; D649-K661 HydrophobicContact CB-CG 4.02Å; C653-K661 HydrophobicContact CB-CB 4.31Å; C653-K661 VanDerWaalsContact SG-C 3.54Å; C653-K661 PolarHBondContact SG-O 3.45Å; G659-K661 VanDerWaalsContact C-N 3.31Å; G659-K661 PolarHBondContact O-N 2.79Å; K661-D663 VanDerWaalsContact C-N 3.29Å; K661-D663 PolarHBondContact O-N 2.72Å; K661-V664 HydrophobicContact CB-CG2 4.29Å; K661-V664 PolarHBondContact O-N 3.01Å; K661-C665 WeakPolarHBondContact O-CA 3.43Å; K661-C665 PolarHBondContact O-N 3.14Å; K661-E668 IonicContact NZ-OE2 3.06Å; K661-E668 PolarHBondContact NZ-OE2 3.21Å
662	K	78.1	Confident	82.4	Confident	111 Å²	111	74.5 Å²	74.5	48%	0.483	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-50	-44.6	-176	-176.7	176.5	177	153.3	0	113.8	C653 L657 G659	C653-K662 WeakPolarHBondContact SG-CA 3.45Å; L657-K662 WeakPolarHBondContact O-CD 3.41Å; L657-K662 WeakPolarHBondContact O-CE 3.26Å; L657-K662 PolarHBondContact O-NZ 3.3Å; G659-K662 WeakPolarHBondContact O-CB 3.5Å; G659-K662 PolarHBondContact O-N 2.79Å
663	D	78.3	Confident	82.4	Confident	154 Å²	154	76.7 Å²	76.7	82%	0.824	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-83.4	-19.3	-172.5	-57.6	-36.5	0	0	0	113.6	K661	K661-D663 VanDerWaalsContact C-N 3.29Å; K661-D663 PolarHBondContact O-N 2.72Å
664	V	85.4	Confident	82.3	Confident	61 Å²	61	78.5 Å²	78.5	37%	0.37	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-114.2	14.4	-179.1	-67.2	0	0	0	0	113	K661 E666 E667 E668	K661-V664 HydrophobicContact CB-CG2 4.29Å; K661-V664 PolarHBondContact O-N 3.01Å; V664-E666 PolarHBondContact O-N 3.38Å; V664-E667 PolarHBondContact O-N 3.48Å; V664-E668 HydrophobicContact CB-CG 4.46Å; V664-E668 HydrophobicContact CG2-CG 4.49Å; V664-E668 PolarHBondContact O-N 3.46Å; V664-E668 VanDerWaalsContact O-N 3.15Å
665	C	83.6	Confident	82.4	Confident	16 Å²	16	80.6 Å²	80.6	11%	0.108	41%	0.408	C	S	.	.	H	α-helix	trans	-57.6	-43.4	-169	-147.9	0	0	0	0	114.3	C653 R654 K661 C669	C653-C665 HydrophobicContact CB-CB 4.32Å; C653-C665 WeakPolarHBondContact CB-SG 3.45Å; C653-C665 WeakPolarHBondContact SG-CB 3.03Å; C653-C665 CovalentContact SG-SG 2.01Å; C653-C665 PolarHBondContact SG-SG 3.22Å; R654-C665 PolarHBondContact N-SG 3.26Å; K661-C665 WeakPolarHBondContact O-CA 3.43Å; K661-C665 PolarHBondContact O-N 3.14Å; C665-C669 VanDerWaalsContact O-CB 3.32Å; C665-C669 WeakPolarHBondContact O-CB 3.35Å; C665-C669 PolarHBondContact O-N 3.38Å
666	E	78.5	Confident	82.3	Confident	179 Å²	179	86.2 Å²	86.2	84%	0.836	43%	0.432	S	S	*	.	H	α-helix	trans	-72.5	-30.9	-173.6	-65.5	-157.4	159.6	0	0	112.3	V664	V664-E666 PolarHBondContact O-N 3.38Å
667	E	79.9	Confident	82.5	Confident	176 Å²	176	84.5 Å²	84.5	82%	0.822	43%	0.425	S	S	*	.	H	α-helix	trans	-82.7	-43.3	-179.8	-65.2	-173.2	169.4	0	0	112.2	V664	V664-E667 PolarHBondContact O-N 3.48Å
668	E	82.1	Confident	82.4	Confident	100 Å²	100	83.8 Å²	83.8	47%	0.467	42%	0.422	S	S	.	.	H	α-helix	trans	-94.5	-16.8	-169.7	-68.1	-166.9	-176.5	0	0	115.4	K661 V664	K661-E668 IonicContact NZ-OE2 3.06Å; K661-E668 PolarHBondContact NZ-OE2 3.21Å; V664-E668 HydrophobicContact CB-CG 4.46Å; V664-E668 HydrophobicContact CG2-CG 4.49Å; V664-E668 PolarHBondContact O-N 3.46Å; V664-E668 VanDerWaalsContact O-N 3.15Å
669	C	83.9	Confident	82.4	Confident	1 Å²	1	84.2 Å²	84.2	1%	0.007	43%	0.425	C	S	.	.	S	Bend	trans	-116.2	20.3	-168.3	-61.1	0	0	0	0	114.5	C650 R654 C665	C650-C669 WeakPolarHBondContact CA-SG 3.48Å; C650-C669 HydrophobicContact CB-CB 3.52Å; C650-C669 WeakPolarHBondContact CB-SG 3.03Å; C650-C669 VanDerWaalsContact SG-CA 3.6Å; C650-C669 WeakPolarHBondContact SG-CB 3.43Å; C650-C669 CovalentContact SG-SG 2.04Å; C650-C669 PolarHBondContact SG-SG 2.72Å; R654-C669 WeakPolarHBondContact CD-O 3.35Å; R654-C669 HydrophobicContact CG-CB 4.15Å; R654-C669 PolarHBondContact NH1-O 3.24Å; C665-C669 VanDerWaalsContact O-CB 3.32Å; C665-C669 WeakPolarHBondContact O-CB 3.35Å; C665-C669 PolarHBondContact O-N 3.38Å
670	N	81.8	Confident	82.1	Confident	120 Å²	120	86.3 Å²	86.3	64%	0.642	43%	0.425	S	S	*	.			trans	-91.5	13	-177.6	-151.6	17.5	0	0	0	115.1
671	Y	84.7	Confident	81.9	Confident	87 Å²	87	86.9 Å²	86.9	34%	0.341	42%	0.424	S	S	.	.	S	Bend	trans	-88.7	3.2	-175.5	64.1	-91.7	0	0	0	115	H647 K718	H647-Y671 AromaticContact CE1-CE2 3.7Å; H647-Y671 AromaticContact ND1-CE2 3.59Å; H647-Y671 AromaticContact ND1-CZ 3.68Å; H647-Y671 PolarHBondContact ND1-OH 3.34Å; Y671-K718 HydrophobicContact CD2-CD 4.44Å
672	F	86.3	Confident	81.7	Confident	6 Å²	6	90.4 Å²	90.4	3%	0.026	44%	0.439	C	S	.	.	S	Bend	trans	-143.6	152.9	175.9	61.5	-90.9	0	0	0	112	C650 V651 R654 M674 K718 V720	C650-F672 HydrophobicContact CB-CE1 3.74Å; C650-F672 HydrophobicContact CB-CZ 3.87Å; V651-F672 HydrophobicContact CG2-CE2 4.24Å; V651-F672 HydrophobicContact CG2-CZ 4.05Å; R654-F672 PolarHBondContact NH1-O 3.17Å; F672-M674 HydrophobicContact CE2-CE 3.83Å; F672-M674 HydrophobicContact CZ-CE 4.36Å; F672-K718 WeakPolarHBondContact CA-O 2.94Å; F672-K718 HydrophobicContact CB-CB 4.02Å; F672-V720 HydrophobicContact CB-CG2 4.34Å; F672-V720 HydrophobicContact CD2-CB 3.75Å; F672-V720 HydrophobicContact CD2-CG2 3.42Å; F672-V720 VanDerWaalsContact CD2-CG2 3.42Å; F672-V720 HydrophobicContact CE2-CB 3.96Å; F672-V720 HydrophobicContact CE2-CG2 3.8Å; F672-V720 HydrophobicContact CG-CG2 3.92Å
673	T	85.8	Confident	81.9	Confident	59 Å²	59	86.2 Å²	86.2	36%	0.362	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.6	176.3	-54.7	0	0	0	0	109.9	E717 K718 V719 V720	T673-E717 PolarHBondContact OG1-OE1 3.14Å; T673-K718 PolarHBondContact N-O 3.19Å; T673-V719 WeakPolarHBondContact O-CA 3.21Å; T673-V720 PolarHBondContact O-N 2.96Å
674	M	85.4	Confident	81.8	Confident	40 Å²	40	79.8 Å²	79.8	20%	0.197	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.2	-176.3	-176.3	179.6	-83.9	0	0	112.2	R654 M655 F672 V720 V722	R654-M674 HydrophobicContact CB-CE 3.41Å; R654-M674 VanDerWaalsContact CB-CE 3.41Å; R654-M674 HydrophobicContact CB-SD 3.91Å; R654-M674 HydrophobicContact CG-CE 4.48Å; M655-M674 HydrophobicContact CB-SD 4.5Å; M655-M674 HydrophobicContact CG-CE 3.77Å; M655-M674 HydrophobicContact CG-CG 4.45Å; M655-M674 HydrophobicContact CG-SD 3.37Å; M655-M674 WeakPolarHBondContact CG-SD 3.05Å; M655-M674 HydrophobicContact SD-CE 4.46Å; M655-M674 HydrophobicContact SD-CG 4.06Å; M655-M674 HydrophobicContact SD-SD 3.3Å; F672-M674 HydrophobicContact CE2-CE 3.83Å; F672-M674 HydrophobicContact CZ-CE 4.36Å; M674-V720 CarbonylContact C-O 3.54Å; M674-V720 WeakPolarHBondContact CA-O 3.03Å; M674-V722 HydrophobicContact CG-CG1 3.86Å; M674-V722 HydrophobicContact SD-CG1 4.26Å
675	R	87.7	Confident	81.2	Confident	126 Å²	126	81.9 Å²	81.9	48%	0.475	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.8	178	-63.6	-172.8	-178.8	-161.4	2.1	111.2	V719 V720 Y721 V722	R675-V719 HydrophobicContact CG-CG1 4.39Å; R675-V720 PolarHBondContact N-O 3.06Å; R675-Y721 HydrophobicContact CB-CD1 3.89Å; R675-Y721 HydrophobicContact CB-CE1 4.17Å; R675-Y721 HydrophobicContact CG-CE1 4.46Å; R675-Y721 CarbonylContact O-C 3.57Å; R675-Y721 VanDerWaalsContact O-CA 3.31Å; R675-Y721 WeakPolarHBondContact O-CA 3.46Å; R675-V722 PolarHBondContact O-N 2.9Å
676	K	84.5	Confident	80.1	Confident	136 Å²	136	85.6 Å²	85.6	59%	0.591	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	144	-179.2	-55.4	-167	175.8	-169.1	0	111.7	M655 V722	M655-K676 HydrophobicContact CE-CD 3.74Å; M655-K676 HydrophobicContact CE-CG 3.73Å; M655-K676 HydrophobicContact SD-CD 4.15Å; M655-K676 HydrophobicContact SD-CG 3.87Å; K676-V722 CarbonylContact C-O 3.5Å; K676-V722 WeakPolarHBondContact CA-O 3.43Å
677	V	86.4	Confident	79.2	Confident	12 Å²	12	82.9 Å²	82.9	7%	0.073	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.8	-179.9	-171.6	0	0	0	0	109.8	T679 K682 F683 Y721 V722 L723 D724	V677-T679 VanDerWaalsContact CG1-O 3.31Å; V677-T679 WeakPolarHBondContact CG1-O 3.05Å; V677-K682 HydrophobicContact CG1-CB 3.45Å; V677-K682 VanDerWaalsContact CG1-CB 3.45Å; V677-F683 HydrophobicContact CB-CD1 4.47Å; V677-F683 HydrophobicContact CB-CE1 4.18Å; V677-F683 HydrophobicContact CG2-CD1 4.09Å; V677-F683 HydrophobicContact CG2-CE1 3.99Å; V677-Y721 HydrophobicContact CG2-CD1 4.36Å; V677-V722 PolarHBondContact N-O 3.49Å; V677-L723 CarbonylContact O-C 3.54Å; V677-L723 WeakPolarHBondContact O-CA 3.41Å; V677-D724 PolarHBondContact O-N 3.42Å
678	D	78.3	Confident	78.1	Confident	105 Å²	105	80.6 Å²	80.6	56%	0.561	41%	0.406	S	S	*	.	S	Bend	trans	-77.4	-35.5	-173.9	-44.5	-48.6	0	0	0	113.9	K682	D678-K682 IonicContact OD2-NZ 2.85Å; D678-K682 PolarHBondContact OD2-NZ 3.16Å
679	T	78.5	Confident	76.9	Confident	63 Å²	63	80 Å²	80	39%	0.387	40%	0.402	S	S	.	.	S	Bend	trans	-137.2	151.5	-175.3	57.8	0	0	0	0	111	V677 D681 K682	V677-T679 VanDerWaalsContact CG1-O 3.31Å; V677-T679 WeakPolarHBondContact CG1-O 3.05Å; T679-D681 PolarHBondContact O-N 3.25Å; T679-K682 PolarHBondContact O-N 2.72Å; T679-K682 VanDerWaalsContact O-N 3.13Å
680	K	74.3	Confident	75.8	Confident	76 Å²	76	85 Å²	85	33%	0.33	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-59.4	-29.7	-177.5	-66.8	180	-170.6	167.2	0	112.9	K682 F683 Y707 L723 D727	K680-K682 PolarHBondContact O-N 3Å; K680-F683 HydrophobicContact CB-CD2 4.41Å; K680-F683 HydrophobicContact CB-CE2 4.48Å; K680-F683 HydrophobicContact CG-CE2 4.38Å; K680-F683 VanDerWaalsContact O-CD2 3.22Å; K680-F683 WeakPolarHBondContact O-CD2 3.38Å; K680-F683 PolarHBondContact O-N 3.33Å; K680-Y707 HydrophobicContact CD-CE2 4.48Å; K680-Y707 PolarHBondContact NZ-OH 2.95Å; K680-Y707 VanDerWaalsContact NZ-OH 3.16Å; K680-L723 HydrophobicContact CG-CD1 4.33Å; K680-L723 HydrophobicContact CG-CD2 4.11Å; K680-D727 IonicContact NZ-OD2 2.77Å; K680-D727 PolarHBondContact NZ-OD2 2.97Å
681	D	76.4	Confident	75.3	Confident	141 Å²	141	80.9 Å²	80.9	75%	0.754	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-71	-16.8	-178.7	-51	-51.6	0	0	0	113.9	T679 F683	T679-D681 PolarHBondContact O-N 3.25Å; D681-F683 VanDerWaalsContact C-N 3.35Å
682	K	76.4	Confident	74.6	Confident	130 Å²	130	81.8 Å²	81.8	57%	0.565	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-89.7	3.2	177.7	-68.3	-176.8	-172.8	-179.1	0	113.1	V677 D678 T679 K680	V677-K682 HydrophobicContact CG1-CB 3.45Å; V677-K682 VanDerWaalsContact CG1-CB 3.45Å; D678-K682 IonicContact OD2-NZ 2.85Å; D678-K682 PolarHBondContact OD2-NZ 3.16Å; T679-K682 PolarHBondContact O-N 2.72Å; T679-K682 VanDerWaalsContact O-N 3.13Å; K680-K682 PolarHBondContact O-N 3Å
683	F	81.9	Confident	74.2	Confident	22 Å²	22	83 Å²	83	10%	0.096	44%	0.436	C	S	.	.	S	Bend	trans	-66.1	145.8	171.2	-78.5	-56.4	0	0	0	110.8	V677 K680 D681 Q685 V709 L723	V677-F683 HydrophobicContact CB-CD1 4.47Å; V677-F683 HydrophobicContact CB-CE1 4.18Å; V677-F683 HydrophobicContact CG2-CD1 4.09Å; V677-F683 HydrophobicContact CG2-CE1 3.99Å; K680-F683 HydrophobicContact CB-CD2 4.41Å; K680-F683 HydrophobicContact CB-CE2 4.48Å; K680-F683 HydrophobicContact CG-CE2 4.38Å; K680-F683 VanDerWaalsContact O-CD2 3.22Å; K680-F683 WeakPolarHBondContact O-CD2 3.38Å; K680-F683 PolarHBondContact O-N 3.33Å; D681-F683 VanDerWaalsContact C-N 3.35Å; F683-Q685 PolarHBondContact O-N 3.28Å; F683-V709 HydrophobicContact CB-CG2 4.28Å; F683-V709 HydrophobicContact CD1-CG2 3.73Å; F683-V709 HydrophobicContact CE1-CG2 4.21Å; F683-V709 HydrophobicContact CG-CG2 4Å; F683-L723 HydrophobicContact CE2-CB 4.49Å; F683-L723 HydrophobicContact CZ-CB 4.01Å
684	P	76.6	Confident	74	Confident	19 Å²	19	82.7 Å²	82.7	12%	0.123	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-57.1	129.4	175.3	-18.1	28.9	0	0	0	110.2	L693 Y721	P684-L693 HydrophobicContact CB-CD1 4.17Å; P684-L693 HydrophobicContact CB-CD2 4.11Å; P684-Y721 HydrophobicContact CG-CD1 4Å; P684-Y721 HydrophobicContact CG-CD2 3.79Å; P684-Y721 HydrophobicContact CG-CE1 3.95Å; P684-Y721 HydrophobicContact CG-CE2 3.78Å; P684-Y721 HydrophobicContact CG-CG 3.93Å
685	Q	72.3	Confident	73.9	Confident	105 Å²	105	85.5 Å²	85.5	49%	0.491	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-91.9	151.6	178.6	-63.8	-152.9	14.5	0	0	111.9	F683 T687 D688 L693	F683-Q685 PolarHBondContact O-N 3.28Å; Q685-T687 PolarHBondContact O-N 2.98Å; Q685-T687 VanDerWaalsContact O-N 3.09Å; Q685-D688 PolarHBondContact O-N 2.79Å; Q685-D688 VanDerWaalsContact O-N 3.14Å; Q685-L693 WeakPolarHBondContact O-CD1 3.27Å
686	P	60.9	Low	73.8	Confident	94 Å²	94	79.9 Å²	79.9	61%	0.61	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.2	-180	-24.2	33	0	0	0	114.8
687	T	58.7	Low	73.8	Confident	123 Å²	123	78.1 Å²	78.1	76%	0.755	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-17.5	-177.2	43.6	0	0	0	0	114.1	Q685	Q685-T687 PolarHBondContact O-N 2.98Å; Q685-T687 VanDerWaalsContact O-N 3.09Å
688	D	57.2	Low	73.7	Confident	127 Å²	127	80 Å²	80	68%	0.679	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-13.2	-173	-75.2	-24.8	0	0	0	113.5	Q685	Q685-D688 PolarHBondContact O-N 2.79Å; Q685-D688 VanDerWaalsContact O-N 3.14Å
689	K	56.7	Low	73.8	Confident	87 Å²	87	78.7 Å²	78.7	38%	0.378	42%	0.416	S	S	.	.			trans	-142.6	142.8	-173.3	-61.7	-157.6	176.8	-171.6	0	114.1	Y691	K689-Y691 HydrophobicContact CB-CD1 4.22Å; K689-Y691 HydrophobicContact CB-CE1 3.91Å; K689-Y691 HydrophobicContact CB-CE2 4.27Å; K689-Y691 HydrophobicContact CD-CE1 3.68Å; K689-Y691 HydrophobicContact CD-CE2 4.09Å; K689-Y691 WeakPolarHBondContact CD-OH 2.98Å; K689-Y691 HydrophobicContact CG-CE1 4.35Å; K689-Y691 PolarHBondContact NZ-OH 2.63Å; K689-Y691 VanDerWaalsContact NZ-OH 3.17Å; K689-Y691 PolarHBondContact O-N 3.2Å; K689-Y691 VanDerWaalsContact O-N 3.09Å
690	S	61.2	Low	73.9	Confident	108 Å²	108	76.7 Å²	76.7	76%	0.755	40%	0.404	S	S	*	.	S	Bend	trans	-74.8	12.7	-174.8	-179.4	0	0	0	0	115.4
691	Y	70.9	Confident	73.9	Confident	32 Å²	32	77.8 Å²	77.8	13%	0.125	43%	0.426	C	S	.	.	S	Bend	trans	-136.5	152.4	-171.6	54.7	-108.1	0	0	0	111.7	K689 L693 T711 T713	K689-Y691 HydrophobicContact CB-CD1 4.22Å; K689-Y691 HydrophobicContact CB-CE1 3.91Å; K689-Y691 HydrophobicContact CB-CE2 4.27Å; K689-Y691 HydrophobicContact CD-CE1 3.68Å; K689-Y691 HydrophobicContact CD-CE2 4.09Å; K689-Y691 WeakPolarHBondContact CD-OH 2.98Å; K689-Y691 HydrophobicContact CG-CE1 4.35Å; K689-Y691 PolarHBondContact NZ-OH 2.63Å; K689-Y691 VanDerWaalsContact NZ-OH 3.17Å; K689-Y691 PolarHBondContact O-N 3.2Å; K689-Y691 VanDerWaalsContact O-N 3.09Å; Y691-L693 HydrophobicContact CD2-CD2 4.48Å; Y691-L693 HydrophobicContact CE2-CD2 4.05Å; Y691-T711 WeakPolarHBondContact CD2-OG1 3.35Å; Y691-T711 HydrophobicContact CE2-CG2 3.85Å; Y691-T711 WeakPolarHBondContact CE2-OG1 3.18Å; Y691-T713 HydrophobicContact CE1-CG2 4.48Å
692	P	70.4	Confident	73.7	Confident	106 Å²	106	77.3 Å²	77.3	69%	0.688	42%	0.424	S	S	*	.			trans	-67.2	135	-172.9	25.6	-33.2	0	0	0	112.3	T711	P692-T711 PolarHBondContact O-OG1 3.26Å
693	L	77.3	Confident	73.6	Confident	31 Å²	31	75.7 Å²	75.7	16%	0.162	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.3	177.2	-66.1	164.3	0	0	0	109	P684 Q685 Y691 V709 T711	P684-L693 HydrophobicContact CB-CD1 4.17Å; P684-L693 HydrophobicContact CB-CD2 4.11Å; Q685-L693 WeakPolarHBondContact O-CD1 3.27Å; Y691-L693 HydrophobicContact CD2-CD2 4.48Å; Y691-L693 HydrophobicContact CE2-CD2 4.05Å; L693-V709 HydrophobicContact CB-CG1 4.16Å; L693-V709 HydrophobicContact CD2-CG1 4.03Å; L693-T711 HydrophobicContact CD2-CG2 4.2Å
694	T	82.8	Confident	73.6	Confident	53 Å²	53	75.2 Å²	75.2	33%	0.325	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106	175.4	-52.1	0	0	0	0	109.2	V709 Y710	T694-V709 CarbonylContact O-C 3.59Å; T694-V709 VanDerWaalsContact O-CA 3.3Å; T694-V709 WeakPolarHBondContact O-CA 3.5Å; T694-Y710 PolarHBondContact N-O 2.66Å; T694-Y710 PolarHBondContact O-N 2.88Å
695	H	81.6	Confident	73.9	Confident	100 Å²	100	78.1 Å²	78.1	46%	0.463	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.6	176.4	-65.7	-98	0	0	0	110.1	V709	H695-V709 VanDerWaalsContact ND1-CG2 3.3Å; H695-V709 WeakPolarHBondContact ND1-CG2 3.33Å
696	C	85.6	Confident	74.5	Confident	8 Å²	8	73.4 Å²	73.4	5%	0.054	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.5	-177.2	-56.4	0	0	0	0	110.5	C644 Y708	C644-C696 WeakPolarHBondContact CA-SG 3.18Å; C644-C696 HydrophobicContact CB-CB 3.72Å; C644-C696 WeakPolarHBondContact CB-SG 2.99Å; C644-C696 VanDerWaalsContact SG-CA 3.57Å; C644-C696 WeakPolarHBondContact SG-CB 3.3Å; C644-C696 CovalentContact SG-SG 2.04Å; C644-C696 PolarHBondContact SG-SG 3.14Å; C696-Y708 WeakPolarHBondContact CA-O 3.31Å; C696-Y708 HydrophobicContact CB-CD1 3.97Å; C696-Y708 HydrophobicContact CB-CD2 3.9Å; C696-Y708 HydrophobicContact CB-CE1 3.6Å; C696-Y708 HydrophobicContact CB-CE2 3.53Å; C696-Y708 HydrophobicContact CB-CG 4.11Å; C696-Y708 PolarHBondContact N-O 3.2Å; C696-Y708 PolarHBondContact O-N 2.82Å; C696-Y708 VanDerWaalsContact O-O 3.09Å; C696-Y708 VanDerWaalsContact SG-CE2 3.59Å
697	K	85.7	Confident	75.8	Confident	99 Å²	99	71 Å²	71	43%	0.43	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	111.3	175.5	178	-173.7	177.3	-176.7	0	107.9	W705 I706 Y707	K697-W705 HydrophobicContact CD-CD2 4.43Å; K697-W705 HydrophobicContact CD-CE3 3.99Å; K697-W705 HydrophobicContact CD-CZ3 4.12Å; K697-W705 VanDerWaalsContact CE-CZ3 3.49Å; K697-W705 HydrophobicContact CG-CD2 4.4Å; K697-W705 HydrophobicContact CG-CE3 3.66Å; K697-W705 HydrophobicContact CG-CZ3 3.99Å; K697-I706 WeakPolarHBondContact CA-O 3.39Å; K697-Y707 HydrophobicContact CB-CD1 4.1Å; K697-Y707 HydrophobicContact CB-CE1 4.03Å; K697-Y707 HydrophobicContact CD-CD1 4.44Å; K697-Y707 HydrophobicContact CD-CE1 3.56Å; K697-Y707 WeakPolarHBondContact CE-OH 3.43Å; K697-Y707 HydrophobicContact CG-CD1 3.99Å; K697-Y707 HydrophobicContact CG-CE1 3.55Å; K697-Y707 PolarHBondContact NZ-OH 2.76Å
698	E	84.8	Confident	77.3	Confident	50 Å²	50	65.2 Å²	65.2	23%	0.234	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.7	-174.7	-74.1	-63	153.1	0	0	110.7	K648 I706 Y708	K648-E698 HydrophobicContact CB-CG 4.29Å; K648-E698 HydrophobicContact CD-CB 4.03Å; K648-E698 HydrophobicContact CD-CG 3.89Å; K648-E698 WeakPolarHBondContact CD-OE2 3.15Å; K648-E698 HydrophobicContact CG-CB 4.06Å; K648-E698 HydrophobicContact CG-CG 3.95Å; K648-E698 IonicContact NZ-OE2 3.94Å; K648-E698 PolarHBondContact NZ-OE2 3.06Å; E698-I706 PolarHBondContact N-O 3.36Å; E698-I706 PolarHBondContact O-N 2.89Å; E698-Y708 HydrophobicContact CB-CE1 4.46Å; E698-Y708 HydrophobicContact CG-CE1 4.12Å
699	K	80.3	Confident	78.7	Confident	78 Å²	78	59.2 Å²	59.2	34%	0.339	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.6	172	-72.4	-173.4	161.5	-162.8	0	111.2	K648 D703 C704 W705	K648-K699 VanDerWaalsContact CE-O 3.26Å; K648-K699 WeakPolarHBondContact CE-O 3.02Å; K648-K699 PolarHBondContact NZ-O 3.37Å; K699-D703 WeakPolarHBondContact CD-OD1 3.34Å; K699-D703 WeakPolarHBondContact CE-OD1 3.33Å; K699-D703 IonicContact NZ-OD1 2.99Å; K699-D703 PolarHBondContact NZ-OD1 2.91Å; K699-C704 WeakPolarHBondContact CA-O 3.4Å; K699-W705 HydrophobicContact CD-CE3 4.44Å; K699-W705 HydrophobicContact CD-CH2 4.01Å; K699-W705 HydrophobicContact CD-CZ2 4.26Å; K699-W705 HydrophobicContact CD-CZ3 4.11Å; K699-W705 VanDerWaalsContact CE-CH2 3.41Å; K699-W705 HydrophobicContact CG-CD2 3.94Å; K699-W705 HydrophobicContact CG-CE3 3.42Å; K699-W705 VanDerWaalsContact CG-CE3 3.42Å; K699-W705 HydrophobicContact CG-CH2 3.78Å; K699-W705 HydrophobicContact CG-CZ2 4.21Å; K699-W705 HydrophobicContact CG-CZ3 3.36Å
700	D	79.3	Confident	80.1	Confident	22 Å²	22	56.3 Å²	56.3	12%	0.118	31%	0.306	C	S	.	.			trans	-84.3	179.1	165.9	75.9	2.8	0	0	0	111.8	N702 D703 C704 I706	D700-N702 PolarHBondContact O-N 3.47Å; D700-N702 WeakPolarHBondContact OD1-CA 3.01Å; D700-N702 PolarHBondContact OD1-N 3.08Å; D700-D703 PolarHBondContact O-N 2.75Å; D700-D703 PolarHBondContact OD1-N 3.41Å; D700-D703 VanDerWaalsContact OD1-N 3.14Å; D700-C704 PolarHBondContact N-O 3.08Å; D700-C704 WeakPolarHBondContact OD1-CB 3.22Å; D700-C704 PolarHBondContact OD1-N 2.82Å; D700-I706 HydrophobicContact CB-CD1 3.81Å; D700-I706 HydrophobicContact CB-CG1 4.26Å
701	A	75.9	Confident	81.2	Confident	98 Å²	98	51.2 Å²	51.2	81%	0.81	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-15.3	178.5	0	0	0	0	0	114.4
702	N	72.4	Confident	81.7	Confident	131 Å²	131	52.4 Å²	52.4	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	14.9	179.3	-64.8	-43.7	0	0	0	112.5	D700 C704	D700-N702 PolarHBondContact O-N 3.47Å; D700-N702 WeakPolarHBondContact OD1-CA 3.01Å; D700-N702 PolarHBondContact OD1-N 3.08Å; N702-C704 PolarHBondContact O-N 3.3Å
703	D	73.4	Confident	81.9	Confident	96 Å²	96	48.4 Å²	48.4	51%	0.513	25%	0.254	S	S	.	.	S	Bend	trans	62.2	19.5	-178.2	-113.9	-19.4	0	0	0	114.1	K699 D700	K699-D703 WeakPolarHBondContact CD-OD1 3.34Å; K699-D703 WeakPolarHBondContact CE-OD1 3.33Å; K699-D703 IonicContact NZ-OD1 2.99Å; K699-D703 PolarHBondContact NZ-OD1 2.91Å; D700-D703 PolarHBondContact O-N 2.75Å; D700-D703 PolarHBondContact OD1-N 3.41Å; D700-D703 VanDerWaalsContact OD1-N 3.14Å
704	C	80.8	Confident	81.7	Confident	13 Å²	13	52.9 Å²	52.9	9%	0.088	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-89.8	146.9	173.9	-60.8	0	0	0	0	110.7	K699 D700 N702 P726 C728	K699-C704 WeakPolarHBondContact CA-O 3.4Å; D700-C704 PolarHBondContact N-O 3.08Å; D700-C704 WeakPolarHBondContact OD1-CB 3.22Å; D700-C704 PolarHBondContact OD1-N 2.82Å; N702-C704 PolarHBondContact O-N 3.3Å; C704-P726 HydrophobicContact CB-CB 3.68Å; C704-C728 HydrophobicContact CB-CB 4.16Å; C704-C728 WeakPolarHBondContact CB-SG 3.39Å; C704-C728 WeakPolarHBondContact SG-CB 3.19Å; C704-C728 CovalentContact SG-SG 2.04Å; C704-C728 PolarHBondContact SG-SG 2.9Å
705	W	83.2	Confident	81.1	Confident	80 Å²	80	54.8 Å²	54.8	30%	0.303	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.9	-178.6	-65.3	105.5	0	0	0	111.9	K697 K699 Y707 D727	K697-W705 HydrophobicContact CD-CD2 4.43Å; K697-W705 HydrophobicContact CD-CE3 3.99Å; K697-W705 HydrophobicContact CD-CZ3 4.12Å; K697-W705 VanDerWaalsContact CE-CZ3 3.49Å; K697-W705 HydrophobicContact CG-CD2 4.4Å; K697-W705 HydrophobicContact CG-CE3 3.66Å; K697-W705 HydrophobicContact CG-CZ3 3.99Å; K699-W705 HydrophobicContact CD-CE3 4.44Å; K699-W705 HydrophobicContact CD-CH2 4.01Å; K699-W705 HydrophobicContact CD-CZ2 4.26Å; K699-W705 HydrophobicContact CD-CZ3 4.11Å; K699-W705 VanDerWaalsContact CE-CH2 3.41Å; K699-W705 HydrophobicContact CG-CD2 3.94Å; K699-W705 HydrophobicContact CG-CE3 3.42Å; K699-W705 VanDerWaalsContact CG-CE3 3.42Å; K699-W705 HydrophobicContact CG-CH2 3.78Å; K699-W705 HydrophobicContact CG-CZ2 4.21Å; K699-W705 HydrophobicContact CG-CZ3 3.36Å; W705-Y707 HydrophobicContact CB-CD2 4.19Å; W705-Y707 HydrophobicContact CB-CE2 3.48Å; W705-Y707 VanDerWaalsContact CB-CE2 3.48Å; W705-Y707 HydrophobicContact CG-CE2 4.44Å; W705-D727 HydrophobicContact CB-CB 4.35Å; W705-D727 PolarHBondContact N-O 2.89Å; W705-D727 PolarHBondContact O-N 3.19Å; W705-D727 VanDerWaalsContact O-N 3.12Å
706	I	86.3	Confident	80.7	Confident	6 Å²	6	54.8 Å²	54.8	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.4	168.7	-57.2	175.1	0	0	0	108.9	E652 F656 K697 E698 D700 Y708	E652-I706 HydrophobicContact CB-CD1 4.13Å; E652-I706 HydrophobicContact CG-CD1 3.81Å; F656-I706 HydrophobicContact CD2-CD1 4.15Å; F656-I706 HydrophobicContact CE2-CD1 3.98Å; F656-I706 HydrophobicContact CE2-CG1 4.02Å; F656-I706 HydrophobicContact CE2-CG2 3.92Å; K697-I706 WeakPolarHBondContact CA-O 3.39Å; E698-I706 PolarHBondContact N-O 3.36Å; E698-I706 PolarHBondContact O-N 2.89Å; D700-I706 HydrophobicContact CB-CD1 3.81Å; D700-I706 HydrophobicContact CB-CG1 4.26Å; I706-Y708 HydrophobicContact CG2-CD1 4.26Å
707	Y	88	Confident	80.5	Confident	42 Å²	42	58.4 Å²	58.4	17%	0.165	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.3	177.3	-68.4	-93.3	0	0	0	110.2	K680 K697 W705 L723 D727	K680-Y707 HydrophobicContact CD-CE2 4.48Å; K680-Y707 PolarHBondContact NZ-OH 2.95Å; K680-Y707 VanDerWaalsContact NZ-OH 3.16Å; K697-Y707 HydrophobicContact CB-CD1 4.1Å; K697-Y707 HydrophobicContact CB-CE1 4.03Å; K697-Y707 HydrophobicContact CD-CD1 4.44Å; K697-Y707 HydrophobicContact CD-CE1 3.56Å; K697-Y707 WeakPolarHBondContact CE-OH 3.43Å; K697-Y707 HydrophobicContact CG-CD1 3.99Å; K697-Y707 HydrophobicContact CG-CE1 3.55Å; K697-Y707 PolarHBondContact NZ-OH 2.76Å; W705-Y707 HydrophobicContact CB-CD2 4.19Å; W705-Y707 HydrophobicContact CB-CE2 3.48Å; W705-Y707 VanDerWaalsContact CB-CE2 3.48Å; W705-Y707 HydrophobicContact CG-CE2 4.44Å; Y707-L723 HydrophobicContact CD2-CD2 4.21Å; Y707-L723 PolarHBondContact O-N 3.26Å; Y707-D727 HydrophobicContact CE2-CB 4.22Å
708	Y	89.6	Confident	80.5	Confident	3 Å²	3	57.7 Å²	57.7	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.7	175.2	68.7	-86.4	0	0	0	112.6	C644 H647 K648 V651 C696 E698 I706 V720 Y721	C644-Y708 PolarHBondContact O-OH 3.38Å; H647-Y708 HydrophobicContact CB-CE2 4.45Å; K648-Y708 PolarHBondContact N-OH 3.45Å; V651-Y708 HydrophobicContact CG1-CD1 4.05Å; V651-Y708 HydrophobicContact CG1-CG 3.99Å; V651-Y708 HydrophobicContact CG2-CD2 4.1Å; V651-Y708 HydrophobicContact CG2-CE2 4.17Å; V651-Y708 HydrophobicContact CG2-CG 4.4Å; C696-Y708 WeakPolarHBondContact CA-O 3.31Å; C696-Y708 HydrophobicContact CB-CD1 3.97Å; C696-Y708 HydrophobicContact CB-CD2 3.9Å; C696-Y708 HydrophobicContact CB-CE1 3.6Å; C696-Y708 HydrophobicContact CB-CE2 3.53Å; C696-Y708 HydrophobicContact CB-CG 4.11Å; C696-Y708 PolarHBondContact N-O 3.2Å; C696-Y708 PolarHBondContact O-N 2.82Å; C696-Y708 VanDerWaalsContact O-O 3.09Å; C696-Y708 VanDerWaalsContact SG-CE2 3.59Å; E698-Y708 HydrophobicContact CB-CE1 4.46Å; E698-Y708 HydrophobicContact CG-CE1 4.12Å; I706-Y708 HydrophobicContact CG2-CD1 4.26Å; Y708-V720 HydrophobicContact CD2-CG1 3.91Å; Y708-V720 HydrophobicContact CG-CG1 4.42Å; Y708-Y721 CarbonylContact C-O 3.59Å; Y708-Y721 WeakPolarHBondContact CA-O 3.47Å; Y708-Y721 WeakPolarHBondContact CB-O 3.14Å
709	V	87.1	Confident	80.6	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.9	179.8	-176.1	0	0	0	0	109.3	F683 L693 T694 H695 V720 Y721	F683-V709 HydrophobicContact CB-CG2 4.28Å; F683-V709 HydrophobicContact CD1-CG2 3.73Å; F683-V709 HydrophobicContact CE1-CG2 4.21Å; F683-V709 HydrophobicContact CG-CG2 4Å; L693-V709 HydrophobicContact CB-CG1 4.16Å; L693-V709 HydrophobicContact CD2-CG1 4.03Å; T694-V709 CarbonylContact O-C 3.59Å; T694-V709 VanDerWaalsContact O-CA 3.3Å; T694-V709 WeakPolarHBondContact O-CA 3.5Å; H695-V709 VanDerWaalsContact ND1-CG2 3.3Å; H695-V709 WeakPolarHBondContact ND1-CG2 3.33Å; V709-V720 VanDerWaalsContact O-CA 3.31Å; V709-V720 WeakPolarHBondContact O-CA 3.31Å; V709-Y721 PolarHBondContact N-O 2.84Å; V709-Y721 PolarHBondContact O-N 2.82Å
710	Y	86.1	Confident	81.1	Confident	25 Å²	25	51.7 Å²	51.7	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.3	174.2	175.1	-97	0	0	0	110.9	A643 H647 T694 V712 K718 V720	A643-Y710 HydrophobicContact CB-CD1 4.45Å; H647-Y710 AromaticContact CD2-CD2 3.55Å; H647-Y710 AromaticContact CD2-CE2 3.74Å; H647-Y710 AromaticContact CD2-CG 3.83Å; H647-Y710 AromaticContact NE2-CD2 3.86Å; H647-Y710 AromaticContact NE2-CE2 3.53Å; H647-Y710 AromaticContact NE2-CZ 3.63Å; T694-Y710 PolarHBondContact N-O 2.66Å; T694-Y710 PolarHBondContact O-N 2.88Å; Y710-V712 HydrophobicContact CE1-CG2 4.03Å; Y710-K718 HydrophobicContact CE2-CB 4.2Å; Y710-K718 HydrophobicContact CE2-CD 4.49Å; Y710-K718 HydrophobicContact CE2-CG 4.46Å; Y710-K718 WeakPolarHBondContact OH-CD 3.4Å; Y710-V720 HydrophobicContact CD2-CG2 3.83Å
711	T	83.5	Confident	81.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	154.1	176.3	-168.8	0	0	0	0	113	Y691 P692 L693 V719 Y721	Y691-T711 WeakPolarHBondContact CD2-OG1 3.35Å; Y691-T711 HydrophobicContact CE2-CG2 3.85Å; Y691-T711 WeakPolarHBondContact CE2-OG1 3.18Å; P692-T711 PolarHBondContact O-OG1 3.26Å; L693-T711 HydrophobicContact CD2-CG2 4.2Å; T711-V719 HydrophobicContact CG2-CB 4.16Å; T711-V719 PolarHBondContact N-O 3.47Å; T711-V719 PolarHBondContact O-N 2.04Å; T711-Y721 HydrophobicContact CG2-CE2 4.14Å
712	V	82.2	Confident	82.1	Confident	58 Å²	58	47 Å²	47	35%	0.352	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.9	170.1	-173.2	0	0	0	0	107.6	Y710 E717 K718	Y710-V712 HydrophobicContact CE1-CG2 4.03Å; V712-E717 WeakPolarHBondContact CA-O 3.29Å; V712-K718 HydrophobicContact CG2-CG 4.31Å
713	T	75.1	Confident	82.9	Confident	22 Å²	22	41.4 Å²	41.4	14%	0.135	22%	0.221	C	C	.	.			trans	-70.9	165.1	179	60	0	0	0	0	111.4	Y691 S715 S716 E717 V719	Y691-T713 HydrophobicContact CE1-CG2 4.48Å; T713-S715 PolarHBondContact O-N 3.46Å; T713-S715 VanDerWaalsContact O-N 3.08Å; T713-S715 PolarHBondContact OG1-OG 2.04Å; T713-S715 VanDerWaalsContact OG1-OG 3.1Å; T713-S716 WeakPolarHBondContact O-CA 3.29Å; T713-S716 PolarHBondContact O-N 3.3Å; T713-E717 PolarHBondContact N-O 2.98Å; T713-E717 VanDerWaalsContact OG1-CB 3.3Å; T713-E717 WeakPolarHBondContact OG1-CB 2.98Å; T713-E717 PolarHBondContact OG1-N 3.33Å; T713-E717 VanDerWaalsContact OG1-N 3.13Å; T713-E717 PolarHBondContact OG1-O 3.34Å; T713-E717 VanDerWaalsContact OG1-O 3.14Å; T713-V719 HydrophobicContact CG2-CG2 4.14Å
714	N	71.1	Confident	83.2	Confident	124 Å²	124	39.9 Å²	39.9	66%	0.663	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.6	176.7	-68.4	-10	0	0	0	113.7	S716	N714-S716 VanDerWaalsContact C-N 3.28Å
715	S	70.4	Confident	83	Confident	94 Å²	94	46.8 Å²	46.8	66%	0.657	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	14.3	173.2	48.7	0	0	0	0	113.5	T713 E717	T713-S715 PolarHBondContact O-N 3.46Å; T713-S715 VanDerWaalsContact O-N 3.08Å; T713-S715 PolarHBondContact OG1-OG 2.04Å; T713-S715 VanDerWaalsContact OG1-OG 3.1Å; S715-E717 PolarHBondContact O-N 3.2Å
716	S	74.3	Confident	82.6	Confident	100 Å²	100	45.1 Å²	45.1	70%	0.699	24%	0.242	S	C	*	.	S	Bend	trans	63.7	16	-177.8	-54.1	0	0	0	0	115.2	T713 N714	T713-S716 WeakPolarHBondContact O-CA 3.29Å; T713-S716 PolarHBondContact O-N 3.3Å; N714-S716 VanDerWaalsContact C-N 3.28Å
717	E	81.1	Confident	82.2	Confident	83 Å²	83	48.3 Å²	48.3	39%	0.388	26%	0.259	S	S	.	.			trans	-82.2	130.7	175.9	-166.9	-168.2	171.8	0	0	110.8	T673 V712 T713 S715 V719	T673-E717 PolarHBondContact OG1-OE1 3.14Å; V712-E717 WeakPolarHBondContact CA-O 3.29Å; T713-E717 PolarHBondContact N-O 2.98Å; T713-E717 VanDerWaalsContact OG1-CB 3.3Å; T713-E717 WeakPolarHBondContact OG1-CB 2.98Å; T713-E717 PolarHBondContact OG1-N 3.33Å; T713-E717 VanDerWaalsContact OG1-N 3.13Å; T713-E717 PolarHBondContact OG1-O 3.34Å; T713-E717 VanDerWaalsContact OG1-O 3.14Å; S715-E717 PolarHBondContact O-N 3.2Å; E717-V719 HydrophobicContact CG-CG2 4.27Å
718	K	85.9	Confident	81.6	Confident	84 Å²	84	49.4 Å²	49.4	37%	0.365	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.2	176.9	-61.3	-179	179.4	-177.1	0	110.6	Y671 F672 T673 Y710 V712	Y671-K718 HydrophobicContact CD2-CD 4.44Å; F672-K718 WeakPolarHBondContact CA-O 2.94Å; F672-K718 HydrophobicContact CB-CB 4.02Å; T673-K718 PolarHBondContact N-O 3.19Å; Y710-K718 HydrophobicContact CE2-CB 4.2Å; Y710-K718 HydrophobicContact CE2-CD 4.49Å; Y710-K718 HydrophobicContact CE2-CG 4.46Å; Y710-K718 WeakPolarHBondContact OH-CD 3.4Å; V712-K718 HydrophobicContact CG2-CG 4.31Å
719	V	86.7	Confident	80.6	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136	-176.7	-173.9	0	0	0	0	110.5	T673 R675 T711 T713 E717 Y721	T673-V719 WeakPolarHBondContact O-CA 3.21Å; R675-V719 HydrophobicContact CG-CG1 4.39Å; T711-V719 HydrophobicContact CG2-CB 4.16Å; T711-V719 PolarHBondContact N-O 3.47Å; T711-V719 PolarHBondContact O-N 2.04Å; T713-V719 HydrophobicContact CG2-CG2 4.14Å; E717-V719 HydrophobicContact CG-CG2 4.27Å; V719-Y721 HydrophobicContact CB-CE2 4.33Å; V719-Y721 HydrophobicContact CG1-CD2 4.24Å; V719-Y721 HydrophobicContact CG1-CE2 3.63Å
720	V	89.8	Confident	79.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.4	174.5	179.7	0	0	0	0	111	V651 F672 T673 M674 R675 Y708 V709 Y710	V651-V720 HydrophobicContact CG2-CG1 3.77Å; F672-V720 HydrophobicContact CB-CG2 4.34Å; F672-V720 HydrophobicContact CD2-CB 3.75Å; F672-V720 HydrophobicContact CD2-CG2 3.42Å; F672-V720 VanDerWaalsContact CD2-CG2 3.42Å; F672-V720 HydrophobicContact CE2-CB 3.96Å; F672-V720 HydrophobicContact CE2-CG2 3.8Å; F672-V720 HydrophobicContact CG-CG2 3.92Å; T673-V720 PolarHBondContact O-N 2.96Å; M674-V720 CarbonylContact C-O 3.54Å; M674-V720 WeakPolarHBondContact CA-O 3.03Å; R675-V720 PolarHBondContact N-O 3.06Å; Y708-V720 HydrophobicContact CD2-CG1 3.91Å; Y708-V720 HydrophobicContact CG-CG1 4.42Å; V709-V720 VanDerWaalsContact O-CA 3.31Å; V709-V720 WeakPolarHBondContact O-CA 3.31Å; Y710-V720 HydrophobicContact CD2-CG2 3.83Å
721	Y	88.4	Confident	77.9	Confident	22 Å²	22	66.7 Å²	66.7	9%	0.086	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.8	172	-59.7	-97.7	0	0	0	109.1	R675 V677 P684 Y708 V709 T711 V719	R675-Y721 HydrophobicContact CB-CD1 3.89Å; R675-Y721 HydrophobicContact CB-CE1 4.17Å; R675-Y721 HydrophobicContact CG-CE1 4.46Å; R675-Y721 CarbonylContact O-C 3.57Å; R675-Y721 VanDerWaalsContact O-CA 3.31Å; R675-Y721 WeakPolarHBondContact O-CA 3.46Å; V677-Y721 HydrophobicContact CG2-CD1 4.36Å; P684-Y721 HydrophobicContact CG-CD1 4Å; P684-Y721 HydrophobicContact CG-CD2 3.79Å; P684-Y721 HydrophobicContact CG-CE1 3.95Å; P684-Y721 HydrophobicContact CG-CE2 3.78Å; P684-Y721 HydrophobicContact CG-CG 3.93Å; Y708-Y721 CarbonylContact C-O 3.59Å; Y708-Y721 WeakPolarHBondContact CA-O 3.47Å; Y708-Y721 WeakPolarHBondContact CB-O 3.14Å; V709-Y721 PolarHBondContact N-O 2.84Å; V709-Y721 PolarHBondContact O-N 2.82Å; T711-Y721 HydrophobicContact CG2-CE2 4.14Å; V719-Y721 HydrophobicContact CB-CE2 4.33Å; V719-Y721 HydrophobicContact CG1-CD2 4.24Å; V719-Y721 HydrophobicContact CG1-CE2 3.63Å
722	V	89.3	Confident	76.7	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.2	-173.1	55.5	0	0	0	0	112	V651 M655 M674 R675 K676 V677	V651-V722 HydrophobicContact CG1-CB 4.2Å; V651-V722 HydrophobicContact CG1-CG2 3.79Å; M655-V722 HydrophobicContact CE-CG1 3.75Å; M655-V722 HydrophobicContact CE-CG2 4.45Å; M655-V722 HydrophobicContact CG-CB 4.16Å; M655-V722 HydrophobicContact CG-CG1 3.36Å; M655-V722 HydrophobicContact CG-CG2 3.79Å; M655-V722 HydrophobicContact SD-CG1 3.35Å; M655-V722 WeakPolarHBondContact SD-CG1 3.31Å; M674-V722 HydrophobicContact CG-CG1 3.86Å; M674-V722 HydrophobicContact SD-CG1 4.26Å; R675-V722 PolarHBondContact O-N 2.9Å; K676-V722 CarbonylContact C-O 3.5Å; K676-V722 WeakPolarHBondContact CA-O 3.43Å; V677-V722 PolarHBondContact N-O 3.49Å
723	L	87.5	Confident	75.4	Confident	13 Å²	13	76.2 Å²	76.2	7%	0.068	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.7	-178.2	-169.3	69.9	0	0	0	111.4	V677 K680 F683 Y707 K725	V677-L723 CarbonylContact O-C 3.54Å; V677-L723 WeakPolarHBondContact O-CA 3.41Å; K680-L723 HydrophobicContact CG-CD1 4.33Å; K680-L723 HydrophobicContact CG-CD2 4.11Å; F683-L723 HydrophobicContact CE2-CB 4.49Å; F683-L723 HydrophobicContact CZ-CB 4.01Å; Y707-L723 HydrophobicContact CD2-CD2 4.21Å; Y707-L723 PolarHBondContact O-N 3.26Å; L723-K725 WeakPolarHBondContact CD2-O 3.35Å; L723-K725 PolarHBondContact O-N 3.07Å
724	D	79.8	Confident	74.6	Confident	65 Å²	65	81.8 Å²	81.8	35%	0.348	46%	0.464	S	S	.	.	S	Bend	trans	-67.4	-30.3	-172.9	-168.7	52.3	0	0	0	114.4	V677	V677-D724 PolarHBondContact O-N 3.42Å
725	K	77.1	Confident	74.3	Confident	157 Å²	157	82 Å²	82	68%	0.683	46%	0.463	S	S	*	.	S	Bend	trans	-128.1	131.4	178.9	-67	-176.7	-177.9	176.6	0	112.2	L723	L723-K725 WeakPolarHBondContact CD2-O 3.35Å; L723-K725 PolarHBondContact O-N 3.07Å
726	P	76.3	Confident	73.9	Confident	46 Å²	46	82 Å²	82	30%	0.299	46%	0.461	S	S	.	.			trans	-63.7	146.4	172.7	-15.5	26.9	0	0	0	112.2	F656 C704	F656-P726 HydrophobicContact CD1-CG 4.33Å; F656-P726 HydrophobicContact CE1-CG 3.98Å; F656-P726 HydrophobicContact CZ-CG 4.22Å; C704-P726 HydrophobicContact CB-CB 3.68Å
727	D	76.9	Confident	73.4	Confident	73 Å²	73	83 Å²	83	39%	0.39	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-100.1	109.2	-177.5	-169.3	5.2	0	0	0	110.4	K680 W705 Y707	K680-D727 IonicContact NZ-OD2 2.77Å; K680-D727 PolarHBondContact NZ-OD2 2.97Å; W705-D727 HydrophobicContact CB-CB 4.35Å; W705-D727 PolarHBondContact N-O 2.89Å; W705-D727 PolarHBondContact O-N 3.19Å; W705-D727 VanDerWaalsContact O-N 3.12Å; Y707-D727 HydrophobicContact CE2-CB 4.22Å
728	C	75.4	Confident	73	Confident	64 Å²	64	83.7 Å²	83.7	43%	0.432	47%	0.467	S	S	.	.			trans	-114.3	139.6	-173.9	-41.2	0	0	0	0	111.6	C704	C704-C728 HydrophobicContact CB-CB 4.16Å; C704-C728 WeakPolarHBondContact CB-SG 3.39Å; C704-C728 WeakPolarHBondContact SG-CB 3.19Å; C704-C728 CovalentContact SG-SG 2.04Å; C704-C728 PolarHBondContact SG-SG 2.9Å
729	P	68.6	Low	72.3	Confident	112 Å²	112	82.8 Å²	82.8	73%	0.727	48%	0.475	S	S	*	.			trans	-71	145.4	-172.3	25.5	-32.3	0	0	0	115.1
730	K	60.8	Low	71.7	Confident	207 Å²	207	85.1 Å²	85.1	90%	0.9	50%	0.5	S	S	*	.			trans	-111.4	139.9	167.9	-62.9	-179.7	-177.5	177.9	0	109.8
731	G	56.8	Low	71.2	Confident	73 Å²	73	89.7 Å²	89.7	75%	0.753	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-69.3	158.9	-171.1	0	0	0	0	0	116.4
732	P	57.2	Low	70.9	Confident	132 Å²	132	92.9 Å²	92.9	86%	0.857	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-87.1	157.1	-170.6	33.4	-35.1	0	0	0	116.1
733	D	55.7	Low	70.4	Confident	127 Å²	127	95.4 Å²	95.4	68%	0.679	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-101.1	131.6	-174.9	-159.3	-11.1	0	0	0	113
734	L	56.7	Low	70	Confident	139 Å²	139	96.4 Å²	96.4	73%	0.728	58%	0.583	S	S	*	*			trans	-90.1	-13.7	-161.6	-74.1	164.6	0	0	0	115.4
735	I	65.6	Low	70.3	Confident	129 Å²	129	99 Å²	99	66%	0.662	60%	0.596	S	S	*	*	H	α-helix	trans	-65.1	-41.5	-169.2	-62.9	-179.4	0	0	0	115.4	I737	I735-I737 VanDerWaalsContact C-N 3.34Å; I735-I737 PolarHBondContact O-N 3.23Å
736	P	62.3	Low	70.8	Confident	93 Å²	93	95.8 Å²	95.8	60%	0.604	59%	0.589	S	S	*	*	H	α-helix	trans	-72.6	-23.8	-173.1	25	-32	0	0	0	114.2
737	I	64.1	Low	71	Confident	122 Å²	122	99.3 Å²	99.3	63%	0.626	61%	0.605	S	S	*	*	H	α-helix	trans	-72.5	-39.3	-176.7	-61.8	175.1	0	0	0	110.9	I735	I735-I737 VanDerWaalsContact C-N 3.34Å; I735-I737 PolarHBondContact O-N 3.23Å
738	V	72	Confident	71.5	Confident	98 Å²	98	101.2 Å²	101.2	59%	0.594	61%	0.614	S	S	*	*	H	α-helix	trans	-71	-37.8	-178.6	-179.3	0	0	0	0	111.5	G740 V741 V742	V738-G740 VanDerWaalsContact C-N 3.34Å; V738-G740 PolarHBondContact O-N 3.42Å; V738-V741 PolarHBondContact O-N 3.45Å; V738-V742 PolarHBondContact O-N 2.04Å
739	A	72.2	Confident	71.9	Confident	64 Å²	64	99.8 Å²	99.8	53%	0.529	61%	0.61	S	S	.	*	H	α-helix	trans	-63.7	-37.4	-179.7	0	0	0	0	0	113	A743	A739-A743 PolarHBondContact O-N 3.09Å
740	G	73.2	Confident	72.8	Confident	52 Å²	52	99 Å²	99	54%	0.536	60%	0.599	S	S	.	*	H	α-helix	trans	-65.8	-38.1	-179.7	0	0	0	0	0	113.7	V738 G744	V738-G740 VanDerWaalsContact C-N 3.34Å; V738-G740 PolarHBondContact O-N 3.42Å; G740-G744 PolarHBondContact O-N 3Å
741	V	78.6	Confident	73.8	Confident	96 Å²	96	91.4 Å²	91.4	58%	0.582	58%	0.576	S	S	*	*	H	α-helix	trans	-70.9	-40.6	-177.7	178.7	0	0	0	0	111.4	V738 G744 I745	V738-V741 PolarHBondContact O-N 3.45Å; V741-G744 PolarHBondContact O-N 3.35Å; V741-I745 PolarHBondContact O-N 2.85Å
742	V	83.6	Confident	75.2	Confident	88 Å²	88	93.4 Å²	93.4	53%	0.533	57%	0.568	S	S	.	*	H	α-helix	trans	-65.6	-41.4	-179.9	177.1	0	0	0	0	111.3	V738 G744 I745 V746	V738-V742 PolarHBondContact O-N 2.04Å; V742-G744 VanDerWaalsContact C-N 3.32Å; V742-G744 PolarHBondContact O-N 3.27Å; V742-I745 PolarHBondContact O-N 3.04Å; V742-V746 PolarHBondContact O-N 2.89Å
743	A	78.3	Confident	76.6	Confident	54 Å²	54	92.4 Å²	92.4	45%	0.446	56%	0.555	S	S	.	*	H	α-helix	trans	-62.9	-37.1	178.7	0	0	0	0	0	112.8	A739 L747	A739-A743 PolarHBondContact O-N 3.09Å; A743-L747 PolarHBondContact O-N 3.21Å
744	G	79.7	Confident	78	Confident	33 Å²	33	92 Å²	92	34%	0.34	55%	0.552	S	S	.	*	H	α-helix	trans	-64.1	-41.2	179.3	0	0	0	0	0	113.5	G740 V741 V742 V746 L747 I748	G740-G744 PolarHBondContact O-N 3Å; V741-G744 PolarHBondContact O-N 3.35Å; V742-G744 VanDerWaalsContact C-N 3.32Å; V742-G744 PolarHBondContact O-N 3.27Å; G744-V746 PolarHBondContact O-N 3.37Å; G744-L747 PolarHBondContact O-N 3.21Å; G744-I748 WeakPolarHBondContact O-CG1 3.13Å; G744-I748 PolarHBondContact O-N 2.98Å
745	I	86.4	Confident	79.4	Confident	121 Å²	121	90.1 Å²	90.1	62%	0.621	54%	0.542	S	S	*	.	H	α-helix	trans	-66.2	-40.9	-178.7	-63.9	171.8	0	0	0	111	V741 V742 I748 G749	V741-I745 PolarHBondContact O-N 2.85Å; V742-I745 PolarHBondContact O-N 3.04Å; I745-I748 PolarHBondContact O-N 3.32Å; I745-G749 PolarHBondContact O-N 3.38Å
746	V	86.2	Confident	80.5	Confident	89 Å²	89	91.8 Å²	91.8	54%	0.539	54%	0.54	S	S	.	.	H	α-helix	trans	-65.5	-40.7	-179.1	175.8	0	0	0	0	111.7	V742 G744 I748 G749 L750	V742-V746 PolarHBondContact O-N 2.89Å; G744-V746 PolarHBondContact O-N 3.37Å; V746-I748 PolarHBondContact O-N 2.03Å; V746-G749 PolarHBondContact O-N 3.04Å; V746-L750 HydrophobicContact CG1-CD1 4.42Å; V746-L750 PolarHBondContact O-N 3.35Å; V746-L750 VanDerWaalsContact O-N 3.17Å
747	L	81.5	Confident	81.7	Confident	120 Å²	120	93.7 Å²	93.7	63%	0.628	54%	0.539	S	S	*	.	H	α-helix	trans	-66.4	-37.5	-179.6	-76.4	169.5	0	0	0	112.8	A743 G744 L750 A751	A743-L747 PolarHBondContact O-N 3.21Å; G744-L747 PolarHBondContact O-N 3.21Å; L747-L750 PolarHBondContact O-N 3.34Å; L747-A751 PolarHBondContact O-N 3.3Å; L747-A751 VanDerWaalsContact O-N 3.12Å
748	I	86.2	Confident	82.7	Confident	112 Å²	112	93.1 Å²	93.1	57%	0.574	54%	0.537	S	S	*	.	H	α-helix	trans	-65.5	-41.2	177.1	-66.9	169.4	0	0	0	110.7	G744 I745 V746 L750 A751 L752	G744-I748 WeakPolarHBondContact O-CG1 3.13Å; G744-I748 PolarHBondContact O-N 2.98Å; I745-I748 PolarHBondContact O-N 3.32Å; V746-I748 PolarHBondContact O-N 2.03Å; I748-L750 PolarHBondContact O-N 3.25Å; I748-A751 PolarHBondContact O-N 3Å; I748-L752 HydrophobicContact CG2-CD1 4.38Å; I748-L752 PolarHBondContact O-N 3Å
749	G	85.1	Confident	83.3	Confident	35 Å²	35	93.6 Å²	93.6	36%	0.361	54%	0.535	S	S	.	.	H	α-helix	trans	-62.1	-41.5	176.3	0	0	0	0	0	113.3	I745 V746 L752 L753	I745-G749 PolarHBondContact O-N 3.38Å; V746-G749 PolarHBondContact O-N 3.04Å; G749-L752 PolarHBondContact O-N 2.8Å; G749-L753 PolarHBondContact O-N 2.79Å
750	L	86.2	Confident	84	Confident	95 Å²	95	94.6 Å²	94.6	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-64	-41.1	176.4	-94.6	160.6	0	0	0	112.6	V746 L747 I748 L752 L753 L754	V746-L750 HydrophobicContact CG1-CD1 4.42Å; V746-L750 PolarHBondContact O-N 3.35Å; V746-L750 VanDerWaalsContact O-N 3.17Å; L747-L750 PolarHBondContact O-N 3.34Å; I748-L750 PolarHBondContact O-N 3.25Å; L750-L752 PolarHBondContact O-N 2.03Å; L750-L753 PolarHBondContact O-N 2.84Å; L750-L754 WeakPolarHBondContact O-CG 3.07Å; L750-L754 PolarHBondContact O-N 2.84Å; L750-L754 VanDerWaalsContact O-N 3.12Å
751	A	83.3	Confident	84.6	Confident	48 Å²	48	96.3 Å²	96.3	40%	0.397	53%	0.526	S	S	.	.	H	α-helix	trans	-62	-42.9	178.1	0	0	0	0	0	111.9	L747 I748 L753 L754 I755	L747-A751 PolarHBondContact O-N 3.3Å; L747-A751 VanDerWaalsContact O-N 3.12Å; I748-A751 PolarHBondContact O-N 3Å; A751-L753 PolarHBondContact O-N 3.08Å; A751-L754 PolarHBondContact O-N 2.97Å; A751-I755 WeakPolarHBondContact O-CG1 3.26Å; A751-I755 PolarHBondContact O-N 3Å; A751-I755 VanDerWaalsContact O-N 3.08Å
752	L	86.1	Confident	84.9	Confident	114 Å²	114	96 Å²	96	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-39	178.5	-70.9	171.2	0	0	0	112.5	I748 G749 L750 I755 W756	I748-L752 HydrophobicContact CG2-CD1 4.38Å; I748-L752 PolarHBondContact O-N 3Å; G749-L752 PolarHBondContact O-N 2.8Å; L750-L752 PolarHBondContact O-N 2.03Å; L752-I755 PolarHBondContact O-N 3.49Å; L752-W756 PolarHBondContact O-N 3.23Å
753	L	86.8	Confident	84.9	Confident	111 Å²	111	97 Å²	97	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-65.3	-39.4	176	-75.9	172.7	0	0	0	112.7	G749 L750 A751 W756 K757	G749-L753 PolarHBondContact O-N 2.79Å; L750-L753 PolarHBondContact O-N 2.84Å; A751-L753 PolarHBondContact O-N 3.08Å; L753-W756 PolarHBondContact O-N 3.45Å; L753-K757 WeakPolarHBondContact O-CB 2.98Å; L753-K757 PolarHBondContact O-N 2.98Å
754	L	85.1	Confident	85.1	Confident	119 Å²	119	99.2 Å²	99.2	62%	0.623	52%	0.523	S	S	*	.	H	α-helix	trans	-66.1	-41.3	176.9	-72.4	172	0	0	0	111.7	L750 A751 K757 L758	L750-L754 WeakPolarHBondContact O-CG 3.07Å; L750-L754 PolarHBondContact O-N 2.84Å; L750-L754 VanDerWaalsContact O-N 3.12Å; A751-L754 PolarHBondContact O-N 2.97Å; L754-K757 PolarHBondContact O-N 3.34Å; L754-L758 WeakPolarHBondContact O-CB 3.35Å; L754-L758 PolarHBondContact O-N 2.79Å
755	I	86.2	Confident	85.3	Confident	100 Å²	100	107 Å²	107	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-63	-45.4	176.1	-68	167.1	0	0	0	110.5	A751 L752 K757 L758 L759	A751-I755 WeakPolarHBondContact O-CG1 3.26Å; A751-I755 PolarHBondContact O-N 3Å; A751-I755 VanDerWaalsContact O-N 3.08Å; L752-I755 PolarHBondContact O-N 3.49Å; I755-K757 PolarHBondContact O-N 3.1Å; I755-L758 PolarHBondContact O-N 2.96Å; I755-L759 HydrophobicContact CG2-CD1 4.21Å; I755-L759 WeakPolarHBondContact O-CG 3.49Å; I755-L759 PolarHBondContact O-N 3.4Å
756	W	88.2	Confident	85.1	Confident	163 Å²	163	110.4 Å²	110.4	62%	0.617	55%	0.547	S	S	*	.	H	α-helix	trans	-62.2	-43.5	177.6	-179.7	66.8	0	0	0	112.4	L752 L753 L758 L759 M760	L752-W756 PolarHBondContact O-N 3.23Å; L753-W756 PolarHBondContact O-N 3.45Å; W756-L758 VanDerWaalsContact C-N 3.34Å; W756-L758 PolarHBondContact O-N 2.66Å; W756-L759 PolarHBondContact O-N 2.97Å; W756-M760 HydrophobicContact CD2-CG 4.45Å; W756-M760 HydrophobicContact CZ2-CG 4.21Å; W756-M760 PolarHBondContact O-N 2.97Å
757	K	87.4	Confident	85	Confident	134 Å²	134	110.5 Å²	110.5	58%	0.583	54%	0.542	S	S	*	.	H	α-helix	trans	-62.9	-39.2	176.6	-173.1	166	-177.8	172.8	0	112.2	L753 L754 I755 M760 I761	L753-K757 WeakPolarHBondContact O-CB 2.98Å; L753-K757 PolarHBondContact O-N 2.98Å; L754-K757 PolarHBondContact O-N 3.34Å; I755-K757 PolarHBondContact O-N 3.1Å; K757-M760 PolarHBondContact O-N 2.98Å; K757-I761 HydrophobicContact CG-CD1 4.03Å; K757-I761 VanDerWaalsContact O-CG1 3.28Å; K757-I761 WeakPolarHBondContact O-CG1 3.34Å; K757-I761 PolarHBondContact O-N 2.72Å
758	L	84.4	Confident	84.9	Confident	110 Å²	110	110.7 Å²	110.7	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-62.9	-44.8	176	-168.1	80.8	0	0	0	111.5	L754 I755 W756 I761 I762	L754-L758 WeakPolarHBondContact O-CB 3.35Å; L754-L758 PolarHBondContact O-N 2.79Å; I755-L758 PolarHBondContact O-N 2.96Å; W756-L758 VanDerWaalsContact C-N 3.34Å; W756-L758 PolarHBondContact O-N 2.66Å; L758-I761 PolarHBondContact O-N 3.06Å; L758-I762 HydrophobicContact CG-CD1 4.29Å; L758-I762 WeakPolarHBondContact O-CG1 3.32Å; L758-I762 PolarHBondContact O-N 3.26Å; L758-I762 VanDerWaalsContact O-N 3.09Å
759	L	85.5	Confident	84.6	Confident	108 Å²	108	108 Å²	108	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-63.8	-42.5	178.4	-70.8	172.7	0	0	0	112.1	I755 W756 I762 H763	I755-L759 HydrophobicContact CG2-CD1 4.21Å; I755-L759 WeakPolarHBondContact O-CG 3.49Å; I755-L759 PolarHBondContact O-N 3.4Å; W756-L759 PolarHBondContact O-N 2.97Å; L759-I762 PolarHBondContact O-N 3.35Å; L759-H763 PolarHBondContact O-N 3.31Å
760	M	85.6	Confident	84.4	Confident	85 Å²	85	111.6 Å²	111.6	42%	0.419	54%	0.538	S	S	.	.	H	α-helix	trans	-62.8	-42.8	175.9	-73.1	-65.5	-75.8	0	0	111.9	W756 K757 I762 H763 D764	W756-M760 HydrophobicContact CD2-CG 4.45Å; W756-M760 HydrophobicContact CZ2-CG 4.21Å; W756-M760 PolarHBondContact O-N 2.97Å; K757-M760 PolarHBondContact O-N 2.98Å; M760-I762 VanDerWaalsContact C-N 3.32Å; M760-I762 PolarHBondContact O-N 3.15Å; M760-H763 PolarHBondContact O-N 3.01Å; M760-D764 PolarHBondContact O-N 3.46Å
761	I	86.1	Confident	84	Confident	87 Å²	87	112.9 Å²	112.9	45%	0.446	54%	0.54	S	S	.	.	H	α-helix	trans	-61.9	-39.3	177.1	-72	167	0	0	0	111.8	K757 L758 R765	K757-I761 HydrophobicContact CG-CD1 4.03Å; K757-I761 VanDerWaalsContact O-CG1 3.28Å; K757-I761 WeakPolarHBondContact O-CG1 3.34Å; K757-I761 PolarHBondContact O-N 2.72Å; L758-I761 PolarHBondContact O-N 3.06Å; I761-R765 WeakPolarHBondContact O-CG 3.48Å; I761-R765 PolarHBondContact O-N 3.26Å
762	I	84.7	Confident	83.7	Confident	90 Å²	90	115.9 Å²	115.9	46%	0.462	55%	0.546	S	S	.	.	H	α-helix	trans	-67.1	-40.6	177.2	-68.4	167.8	0	0	0	110.8	L758 L759 M760 R766	L758-I762 HydrophobicContact CG-CD1 4.29Å; L758-I762 WeakPolarHBondContact O-CG1 3.32Å; L758-I762 PolarHBondContact O-N 3.26Å; L758-I762 VanDerWaalsContact O-N 3.09Å; L759-I762 PolarHBondContact O-N 3.35Å; M760-I762 VanDerWaalsContact C-N 3.32Å; M760-I762 PolarHBondContact O-N 3.15Å; I762-R766 PolarHBondContact O-N 3.28Å
763	H	84.4	Confident	83.2	Confident	109 Å²	109	117.6 Å²	117.6	51%	0.505	55%	0.548	S	S	.	.	H	α-helix	trans	-64.8	-47.5	177.6	-169.8	64.1	0	0	0	111.7	L759 M760 R765 R766 E767	L759-H763 PolarHBondContact O-N 3.31Å; M760-H763 PolarHBondContact O-N 3.01Å; H763-R765 PolarHBondContact O-N 3.31Å; H763-R766 WeakPolarHBondContact O-CB 3.3Å; H763-R766 PolarHBondContact O-N 2.99Å; H763-R766 VanDerWaalsContact O-N 3.13Å; H763-E767 PolarHBondContact O-N 2.01Å
764	D	83.1	Confident	82.6	Confident	101 Å²	101	117.6 Å²	117.6	54%	0.54	55%	0.545	S	S	.	.	H	α-helix	trans	-62.3	-40.4	177.9	-83	-9	0	0	0	112.4	M760 R766 E767 F768	M760-D764 PolarHBondContact O-N 3.46Å; D764-R766 VanDerWaalsContact C-N 3.3Å; D764-R766 PolarHBondContact O-N 3.12Å; D764-E767 PolarHBondContact O-N 3.09Å; D764-F768 VanDerWaalsContact O-CB 3.31Å; D764-F768 WeakPolarHBondContact O-CB 3.35Å; D764-F768 PolarHBondContact O-N 3.13Å
765	R	82.6	Confident	81.9	Confident	197 Å²	197	119 Å²	119	74%	0.743	55%	0.547	S	S	*	.	H	α-helix	trans	-63.8	-35.1	175.4	-78.1	-172.2	101	-173.9	7.6	112.4	I761 H763 A769	I761-R765 WeakPolarHBondContact O-CG 3.48Å; I761-R765 PolarHBondContact O-N 3.26Å; H763-R765 PolarHBondContact O-N 3.31Å; R765-A769 WeakPolarHBondContact O-CB 3.38Å; R765-A769 PolarHBondContact O-N 2.82Å; R765-A769 VanDerWaalsContact O-N 3.08Å
766	R	83.5	Confident	80.9	Confident	191 Å²	191	121.8 Å²	121.8	72%	0.721	56%	0.559	S	S	*	*	H	α-helix	trans	-68.1	-45.5	176.2	-93	-176	169	176.5	-2	111.7	I762 H763 D764 A769 K770	I762-R766 PolarHBondContact O-N 3.28Å; H763-R766 WeakPolarHBondContact O-CB 3.3Å; H763-R766 PolarHBondContact O-N 2.99Å; H763-R766 VanDerWaalsContact O-N 3.13Å; D764-R766 VanDerWaalsContact C-N 3.3Å; D764-R766 PolarHBondContact O-N 3.12Å; R766-A769 PolarHBondContact O-N 3.38Å; R766-K770 PolarHBondContact O-N 2.87Å
767	E	82.5	Confident	79.6	Confident	91 Å²	91	120.2 Å²	120.2	43%	0.425	56%	0.563	S	S	.	*	H	α-helix	trans	-66.4	-38.6	177	-75	-60.5	132	0	0	111.6	H763 D764 A769 K770 F771	H763-E767 PolarHBondContact O-N 2.01Å; D764-E767 PolarHBondContact O-N 3.09Å; E767-A769 PolarHBondContact O-N 3.43Å; E767-K770 WeakPolarHBondContact O-CB 3Å; E767-K770 PolarHBondContact O-N 3.39Å; E767-F771 WeakPolarHBondContact O-CB 3.06Å; E767-F771 PolarHBondContact O-N 2.03Å
768	F	80.9	Confident	78.1	Confident	124 Å²	124	117 Å²	117	54%	0.544	56%	0.561	S	S	.	*	H	α-helix	trans	-62	-44.2	175	-173.1	-94.9	0	0	0	112.4	D764 K770 F771 E772	D764-F768 VanDerWaalsContact O-CB 3.31Å; D764-F768 WeakPolarHBondContact O-CB 3.35Å; D764-F768 PolarHBondContact O-N 3.13Å; F768-K770 VanDerWaalsContact C-N 3.29Å; F768-K770 PolarHBondContact O-N 3.5Å; F768-F771 PolarHBondContact O-N 3.05Å; F768-E772 HydrophobicContact CE1-CG 4Å; F768-E772 HydrophobicContact CZ-CG 4.29Å; F768-E772 PolarHBondContact O-N 3.33Å
769	A	79.8	Confident	76.4	Confident	56 Å²	56	121.1 Å²	121.1	46%	0.463	57%	0.574	S	S	.	*	H	α-helix	trans	-64.2	-34.8	176	0	0	0	0	0	112.4	R765 R766 E767 K773	R765-A769 WeakPolarHBondContact O-CB 3.38Å; R765-A769 PolarHBondContact O-N 2.82Å; R765-A769 VanDerWaalsContact O-N 3.08Å; R766-A769 PolarHBondContact O-N 3.38Å; E767-A769 PolarHBondContact O-N 3.43Å; A769-K773 WeakPolarHBondContact O-CB 3.28Å; A769-K773 PolarHBondContact O-N 2.76Å; A769-K773 VanDerWaalsContact O-N 3.17Å
770	K	79.8	Confident	74.7	Confident	110 Å²	110	127.2 Å²	127.2	48%	0.478	59%	0.59	S	S	.	*	H	α-helix	trans	-66.9	-43.4	174.2	-171.6	-177.5	172.6	-166.4	0	111.3	R766 E767 F768 K773 E774	R766-K770 PolarHBondContact O-N 2.87Å; E767-K770 WeakPolarHBondContact O-CB 3Å; E767-K770 PolarHBondContact O-N 3.39Å; F768-K770 VanDerWaalsContact C-N 3.29Å; F768-K770 PolarHBondContact O-N 3.5Å; K770-K773 WeakPolarHBondContact O-CB 3.44Å; K770-K773 PolarHBondContact O-N 2.76Å; K770-E774 WeakPolarHBondContact O-CG 3.4Å; K770-E774 PolarHBondContact O-N 2.89Å
771	F	78.3	Confident	72.6	Confident	123 Å²	123	130.7 Å²	130.7	54%	0.539	61%	0.61	S	S	.	*	H	α-helix	trans	-62.7	-42.9	175.6	179.9	-102.2	0	0	0	112.9	E767 F768 K773 E774 K775	E767-F771 WeakPolarHBondContact O-CB 3.06Å; E767-F771 PolarHBondContact O-N 2.03Å; F768-F771 PolarHBondContact O-N 3.05Å; F771-K773 VanDerWaalsContact C-N 3.32Å; F771-K773 PolarHBondContact O-N 2.99Å; F771-E774 PolarHBondContact O-N 2.97Å; F771-K775 WeakPolarHBondContact O-CB 3.46Å; F771-K775 PolarHBondContact O-N 3.22Å
772	E	76.8	Confident	70.7	Confident	111 Å²	111	132.6 Å²	132.6	52%	0.519	63%	0.626	S	S	.	*	H	α-helix	trans	-62.1	-39.2	174.4	-87.2	-161.4	150.8	0	0	112.5	F768 K775 M776	F768-E772 HydrophobicContact CE1-CG 4Å; F768-E772 HydrophobicContact CZ-CG 4.29Å; F768-E772 PolarHBondContact O-N 3.33Å; E772-K775 PolarHBondContact O-N 3.3Å; E772-M776 VanDerWaalsContact O-CG 3.32Å; E772-M776 WeakPolarHBondContact O-CG 3.35Å; E772-M776 PolarHBondContact O-N 3.28Å
773	K	75.3	Confident	68.7	Low	150 Å²	150	137.1 Å²	137.1	65%	0.652	65%	0.645	S	S	*	*	H	α-helix	trans	-65.1	-39.4	176.7	-165.8	175.2	-177.3	176.5	0	111.9	A769 K770 F771 N777	A769-K773 WeakPolarHBondContact O-CB 3.28Å; A769-K773 PolarHBondContact O-N 2.76Å; A769-K773 VanDerWaalsContact O-N 3.17Å; K770-K773 WeakPolarHBondContact O-CB 3.44Å; K770-K773 PolarHBondContact O-N 2.76Å; F771-K773 VanDerWaalsContact C-N 3.32Å; F771-K773 PolarHBondContact O-N 2.99Å; K773-N777 PolarHBondContact O-N 3.35Å
774	E	74.6	Confident	66.9	Low	111 Å²	111	141.4 Å²	141.4	52%	0.519	67%	0.665	S	S	.	*	H	α-helix	trans	-67.5	-38.6	174	-73.2	175.8	-176.9	0	0	112	K770 F771 N777 A778	K770-E774 WeakPolarHBondContact O-CG 3.4Å; K770-E774 PolarHBondContact O-N 2.89Å; F771-E774 PolarHBondContact O-N 2.97Å; E774-N777 PolarHBondContact O-N 3.38Å; E774-A778 WeakPolarHBondContact O-CB 3.35Å; E774-A778 PolarHBondContact O-N 3.34Å
775	K	69.8	Low	65.3	Low	149 Å²	149	142.4 Å²	142.4	65%	0.648	67%	0.671	S	S	*	*	H	α-helix	trans	-66.2	-38	175.7	-169.6	-178.2	172.9	-176.7	0	112.9	F771 E772 N777 A778	F771-K775 WeakPolarHBondContact O-CB 3.46Å; F771-K775 PolarHBondContact O-N 3.22Å; E772-K775 PolarHBondContact O-N 3.3Å; K775-N777 VanDerWaalsContact C-N 3.34Å; K775-A778 PolarHBondContact O-N 2.99Å
776	M	66.6	Low	64	Low	158 Å²	158	139 Å²	139	78%	0.778	68%	0.675	S	S	*	*	H	α-helix	trans	-68.3	-32	176.5	-73.7	-83.2	-89.9	0	0	112.5	E772 A778	E772-M776 VanDerWaalsContact O-CG 3.32Å; E772-M776 WeakPolarHBondContact O-CG 3.35Å; E772-M776 PolarHBondContact O-N 3.28Å; M776-A778 VanDerWaalsContact C-N 3.32Å
777	N	59.9	Low	62.7	Low	130 Å²	130	137.1 Å²	137.1	70%	0.695	68%	0.677	S	S	*	*	H	α-helix	trans	-80.4	-9.3	176.2	-72.3	-12.5	0	0	0	113.7	K773 E774 K775	K773-N777 PolarHBondContact O-N 3.35Å; E774-N777 PolarHBondContact O-N 3.38Å; K775-N777 VanDerWaalsContact C-N 3.34Å
778	A	55.8	Low	61.4	Low	65 Å²	65	142.5 Å²	142.5	54%	0.537	70%	0.695	S	S	.	*			trans	-105.9	41.1	-176.4	0	0	0	0	0	113.5	E774 K775 M776	E774-A778 WeakPolarHBondContact O-CB 3.35Å; E774-A778 PolarHBondContact O-N 3.34Å; K775-A778 PolarHBondContact O-N 2.99Å; M776-A778 VanDerWaalsContact C-N 3.32Å
779	K	48.1	Very low	60	Low	197 Å²	197	146 Å²	146	86%	0.857	71%	0.71	S	S	*	*			trans	-101	99.1	161.9	-89	-175.3	175.2	180	0	109.3
780	W	49.7	Very low	58.6	Low	236 Å²	236	147.3 Å²	147.3	89%	0.894	72%	0.716	S	S	*	*			trans	-79.7	140.6	170.5	-81.2	76.3	0	0	0	111.3
781	D	42.4	Very low	57	Low	159 Å²	159	147.9 Å²	147.9	85%	0.85	73%	0.731	S	S	*	*			trans	-60	126.6	172.3	-132.5	-22.7	0	0	0	111
782	T	45.5	Very low	55.9	Low	127 Å²	127	148.5 Å²	148.5	78%	0.779	74%	0.738	S	S	*	*			trans	-103.3	91	172.8	44.8	0	0	0	0	109.2
783	Q	44	Very low	54.8	Low	185 Å²	185	150.4 Å²	150.4	86%	0.864	75%	0.752	S	S	*	*			trans	-166.3	84.6	155.7	-107.4	170.3	44.2	0	0	110.7
784	E	45.8	Very low	53.5	Low	198 Å²	198	152.1 Å²	152.1	93%	0.925	76%	0.762	S	S	*	*			trans	-179.7	136.5	136.9	-99.8	179.2	-168.4	0	0	110.7
785	N	48.9	Very low	52.3	Low	122 Å²	122	156.3 Å²	156.3	65%	0.652	78%	0.779	S	S	*	*			trans	-91.9	120.7	-166.6	-178.7	-9.7	0	0	0	112.5	I787	N785-I787 VanDerWaalsContact C-N 3.34Å; N785-I787 PolarHBondContact O-N 2.93Å; N785-I787 VanDerWaalsContact O-N 3.14Å; N785-I787 PolarHBondContact OD1-N 3.02Å
786	P	56.3	Low	51.1	Low	127 Å²	127	158.7 Å²	158.7	83%	0.825	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	22.8	-172.8	30.6	-35.1	0	0	0	117.4
787	I	56.3	Low	49.6	Very low	151 Å²	151	157.9 Å²	157.9	77%	0.774	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-5.5	176.9	-56.5	176.4	0	0	0	113.4	N785	N785-I787 VanDerWaalsContact C-N 3.34Å; N785-I787 PolarHBondContact O-N 2.93Å; N785-I787 VanDerWaalsContact O-N 3.14Å; N785-I787 PolarHBondContact OD1-N 3.02Å
788	Y	55.5	Low	49.2	Very low	203 Å²	203	157.3 Å²	157.3	80%	0.796	80%	0.795	S	S	*	*			trans	-95.2	128.4	-175.9	-171.3	-102.1	0	0	0	113.8
789	K	51	Low	48.6	Very low	198 Å²	198	161.2 Å²	161.2	86%	0.861	81%	0.807	S	S	*	*			trans	-117.7	123.9	172.2	-78.7	-175.3	177.4	-179.8	0	110.8
790	S	49.8	Very low	48.2	Very low	84 Å²	84	162.9 Å²	162.9	59%	0.587	81%	0.809	S	S	*	*			trans	-94.8	136.6	170.6	-178.1	0	0	0	0	110.9
791	P	46.6	Very low	47.8	Very low	122 Å²	122	155.1 Å²	155.1	79%	0.792	80%	0.802	S	S	*	*			trans	-97.8	27.1	-166.4	37.5	-35.6	0	0	0	116.2
792	I	55.8	Low	47.7	Very low	136 Å²	136	158.8 Å²	158.8	70%	0.697	80%	0.804	S	S	*	*			trans	-105.6	114.5	-175	-54.6	175.6	0	0	0	110.9
793	N	53	Low	47.5	Very low	151 Å²	151	162.4 Å²	162.4	81%	0.807	81%	0.809	S	S	*	*			trans	-99.4	127.7	168.5	-73.7	-29.2	0	0	0	109.8
794	Q	47.8	Very low	47.3	Very low	186 Å²	186	157.3 Å²	157.3	87%	0.869	81%	0.806	S	S	*	*			trans	-140	127.5	170.1	-126.3	178.9	2.3	0	0	110.3
795	F	50.7	Low	47	Very low	198 Å²	198	152 Å²	152	87%	0.868	80%	0.796	S	S	*	*			trans	-111.7	142.5	173.8	-75.2	-93.6	0	0	0	109.2
796	Q	42.6	Very low	46.6	Very low	199 Å²	199	152.4 Å²	152.4	93%	0.93	80%	0.803	S	S	*	*			trans	-143.4	110.8	160.6	-102.7	-167.9	3.9	0	0	114.5
797	N	36.4	Very low	45.8	Very low	141 Å²	141	157.4 Å²	157.4	75%	0.754	82%	0.821	S	S	*	*			trans	8.2	128.2	143.7	-157.6	-4.9	0	0	0	121.8
798	P	51.1	Low	45.3	Very low	118 Å²	118	157.7 Å²	157.7	77%	0.766	82%	0.824	S	S	*	*			trans	-87.4	101.6	171.7	33.7	-31.7	0	0	0	112.9
799	N	43.4	Very low	44.7	Very low	148 Å²	148	155.3 Å²	155.3	79%	0.791	83%	0.825	S	S	*	*			trans	-163.5	153.4	154.1	-131.6	-16.7	0	0	0	111.5
800	Y	40.3	Very low	44.4	Very low	232 Å²	232	152.9 Å²	152.9	91%	0.91	82%	0.823	S	S	*	*			trans	91.6	120	-168.7	-73.7	-93	0	0	0	113.8
801	G	41.5	Very low	44.1	Very low	72 Å²	72	157 Å²	157	74%	0.742	84%	0.837	S	S	*	*			cis	173.5	137.4	7.8	0	0	0	0	0	108.8
802	R	40.2	Very low	43.9	Very low	236 Å²	236	159.2 Å²	159.2	89%	0.891	84%	0.84	S	S	*	*			trans	-55.9	168.1	-175.2	-71.5	174.2	163.6	164.8	-6.9	116.2
803	K	39.8	Very low	43.1	Very low	203 Å²	203	160.7 Å²	160.7	88%	0.883	85%	0.849	S	S	*	*			trans	105.1	112.7	150.9	-62.3	-176.4	177.6	-179.4	0	110.4
804	G	40.4	Very low	42.4	Very low	78 Å²	78	161.4 Å²	161.4	80%	0.804	85%	0.852	S	S	*	*				80.3	138.8	59.8	0	0	0	0	0	107.5
805	A	40	Very low	42	Very low	87 Å²	87	159.5 Å²	159.5	72%	0.719	85%	0.851	S	S	*	*			cis	-178.5	166.8	5.6	0	0	0	0	0	106
806	V	41.2	Very low	41.3	Very low	130 Å²	130	156.3 Å²	156.3	79%	0.788	85%	0.849	S	S	*	*			trans	69.7	130.2	153.5	-168.6	0	0	0	0	114.5
807	L	38.6	Very low	41.2	Very low	232 Å²	232	152.5 Å²	152.5	100%	1.215	84%	0.842	S	S	*	*			cis	-154.2	0	10.2	-123.3	156.8	0	0	0	107.1

Retrieved 807 of 807 residues in 317.1 ms (Link to these results)

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